#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -3.29 -0.78 2.13 -1.26 -5.01 120.64 112.43 2k0f n GLU 2 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 2k0f n GLU 2 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k0f n GLU 3 N 0.00 0.42 -0.20 5.31 2.13 -1.26 -5.00 120.64 122.05 2k0f n GLU 3 Ca 0.00 -3.17 0.01 0.00 0.66 0.00 0.00 57.16 54.66 2k0f n GLU 3 Cb 0.00 -1.46 0.11 0.00 0.27 0.00 0.00 31.44 30.35 2k0f n GLU 3 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2k0f h GLN 4 N 4.89 0.22 -0.42 5.31 4.15 -1.99 -2.16 115.11 125.10 2k0f h GLN 4 Ca 0.18 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.67 2k0f h GLN 4 Cb 0.90 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.45 2k0f h GLN 4 CO 0.41 0.14 -0.20 0.82 -1.93 0.00 0.00 178.83 178.07 2k0f h ILE 5 N 0.22 0.40 -0.45 2.39 1.08 -1.99 -2.09 117.51 117.07 2k0f h ILE 5 Ca 0.31 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.76 2k0f h ILE 5 Cb 0.48 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2k0f h ILE 5 CO -0.43 0.00 0.20 0.00 -0.69 0.00 0.00 178.15 177.23 2k0f h ALA 6 N 1.16 0.59 0.07 1.87 0.00 -1.92 -2.60 119.26 118.43 2k0f h ALA 6 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 6 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k0f h ALA 6 CO -0.50 0.17 -0.03 0.93 0.00 0.00 0.00 179.25 179.82 2k0f h GLU 7 N 0.59 -0.09 -0.98 0.00 5.08 -0.93 -2.83 114.58 115.43 2k0f h GLU 7 Ca 0.15 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 7 Cb 0.16 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 7 CO -0.02 0.10 0.63 0.74 -1.00 0.00 0.00 179.01 179.46 2k0f h PHE 8 N -0.26 1.14 0.71 4.33 0.04 -1.47 -1.94 116.94 119.49 2k0f h PHE 8 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2k0f h PHE 8 Cb 0.23 -0.37 0.01 0.00 2.20 0.00 0.00 35.95 38.01 2k0f h PHE 8 CO -0.02 0.55 -0.34 -0.22 -0.60 0.00 0.00 178.31 177.68 2k0f h LYS 9 N 1.08 -0.92 -0.54 1.51 3.11 -1.35 -2.40 116.57 117.07 2k0f h LYS 9 Ca 0.44 0.06 0.12 0.00 -2.81 0.00 0.00 60.65 58.46 2k0f h LYS 9 Cb 0.27 0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 2k0f h LYS 9 CO -0.19 -0.59 0.37 0.93 -2.81 0.00 0.00 179.45 177.17 2k0f h GLU 10 N -1.09 0.18 0.07 1.90 4.39 -1.37 -2.65 114.58 116.01 2k0f h GLU 10 Ca -0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 10 Cb 0.76 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2k0f h GLU 10 CO 0.16 0.12 -0.03 0.00 -1.16 0.00 0.00 179.01 178.10 2k0f h ALA 11 N 1.73 -0.09 -0.41 3.43 0.00 -1.20 -2.10 119.26 120.62 2k0f h ALA 11 Ca 0.26 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k0f h ALA 11 Cb 0.76 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 11 CO -0.04 -0.39 0.27 0.35 0.00 0.00 0.00 179.25 179.44 2k0f h PHE 12 N -0.42 0.51 0.00 0.00 3.04 -1.42 -3.21 116.94 115.43 2k0f h PHE 12 Ca -0.01 0.01 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 2k0f h PHE 12 Cb 0.36 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 2k0f h PHE 12 CO 0.03 0.32 -0.97 0.77 -2.02 0.00 0.00 178.31 176.43 2k0f h SER 13 N 0.54 0.00 -0.68 0.41 0.02 -1.30 -1.64 113.55 110.90 2k0f h SER 13 Ca 0.15 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.29 2k0f h SER 13 Cb -0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2k0f h SER 13 CO -0.03 0.85 0.48 0.25 -1.14 0.00 0.00 176.83 177.24 2k0f h LEU 14 N 0.00 0.08 0.06 5.07 5.85 -1.38 -2.79 115.31 122.20 2k0f h LEU 14 Ca -0.05 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.38 2k0f h LEU 14 Cb 1.69 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2k0f h LEU 14 CO 0.10 0.04 -1.65 0.49 -0.34 0.00 0.00 178.44 177.09 2k0f n PHE 15 N -4.37 1.14 -2.65 1.25 3.72 -0.83 -4.90 117.46 110.82 2k0f n PHE 15 Ca 0.13 0.35 -0.43 0.00 -0.05 0.00 0.00 57.45 57.45 2k0f n PHE 15 Cb 0.69 -1.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.08 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -6.96 7.09 -0.10 4.37 -1.08 -0.68 -4.79 116.67 114.52 2k0f s ASP 16 Ca -0.26 1.39 0.16 0.00 -0.52 0.00 0.00 52.55 53.33 2k0f s ASP 16 Cb 0.06 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.75 2k0f s ASP 16 CO 0.68 -0.68 0.21 0.29 0.52 0.00 0.00 175.17 176.19 2k0f n LYS 17 N 6.34 0.96 0.02 4.34 4.76 -1.26 -4.44 118.16 128.88 2k0f n LYS 17 Ca 0.12 -0.08 -0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2k0f n LYS 17 Cb 0.46 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 -0.12 -0.03 4.39 3.32 -1.93 -3.49 116.42 118.57 2k0f h ASP 18 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2k0f h ASP 18 Cb 1.48 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2k0f h ASP 18 CO 0.01 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 2k0f n GLY 19 N 1.39 0.73 0.07 2.75 0.00 -1.26 -5.03 105.19 103.83 2k0f n GLY 19 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 0.00 0.02 0.00 1.61 5.75 -1.26 -4.99 116.55 117.69 2k0f n ASP 20 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2k0f n ASP 20 Cb 0.01 1.35 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.56 1.14 3.18 6.12 0.00 -1.26 -5.09 105.19 110.84 2k0f n GLY 21 Ca -0.22 0.00 -0.27 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 -2.00 1.53 -0.35 2.61 -4.23 -1.26 -3.97 115.64 107.97 2k0f s THR 22 Ca 0.00 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 2k0f s THR 22 Cb 0.00 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2k0f s THR 22 CO 0.00 0.43 0.25 -0.63 -0.54 0.00 0.00 174.62 174.13 2k0f s ILE 23 N -0.21 5.22 0.97 2.99 1.01 0.42 -4.83 121.20 126.77 2k0f s ILE 23 Ca 0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 2k0f s ILE 23 Cb -0.10 -3.73 0.22 0.00 0.01 0.00 0.00 42.46 38.87 2k0f s ILE 23 CO 0.01 -0.07 1.32 0.35 0.00 0.00 0.00 174.94 176.56 2k0f n THR 24 N 5.11 0.00 0.20 2.92 -2.24 -1.26 -0.55 114.28 118.45 2k0f n THR 24 Ca -0.12 -1.04 0.08 0.00 -2.27 0.00 0.00 64.05 60.69 2k0f n THR 24 Cb 0.49 -1.45 0.39 0.00 -2.10 0.00 0.00 70.33 67.65 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -1.69 0.72 0.06 4.28 1.35 -1.97 -2.85 112.91 112.80 2k0f h THR 25 Ca -0.43 -1.34 -0.25 0.00 -0.55 0.00 0.00 66.41 63.84 2k0f h THR 25 Cb 1.21 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 2k0f h THR 25 CO 0.31 0.30 -1.20 0.11 -0.25 0.00 0.00 175.52 174.79 2k0f h LYS 26 N 0.00 0.13 0.00 4.72 1.57 -1.97 0.53 116.57 121.55 2k0f h LYS 26 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2k0f h LYS 26 Cb 0.84 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2k0f h LYS 26 CO 0.04 1.06 0.00 0.39 -0.57 0.00 0.00 179.45 180.37 2k0f n GLU 27 N -3.41 0.20 -0.10 3.15 1.02 -1.19 -1.32 120.64 119.00 2k0f n GLU 27 Ca -0.06 0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 57.14 2k0f n GLU 27 Cb 0.99 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 30.53 2k0f n GLU 27 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k0f h LEU 28 N 0.00 0.00 -0.90 -4.62 3.38 -1.46 -3.41 115.31 108.30 2k0f h LEU 28 Ca 0.00 -0.54 0.11 0.00 0.09 0.00 0.00 57.88 57.54 2k0f h LEU 28 Cb 0.57 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 2k0f h LEU 28 CO 0.00 1.36 -0.43 0.61 0.09 0.00 0.00 178.44 180.06 2k0f n GLY 29 N 1.48 -2.08 0.39 0.83 0.00 0.17 -0.79 105.19 105.19 2k0f n GLY 29 Ca -0.27 1.04 0.22 0.00 0.00 0.00 0.00 46.02 47.01 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 0.49 0.05 2.61 2.02 -1.45 0.18 112.91 116.81 2k0f h THR 30 Ca 0.24 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 2k0f h THR 30 Cb 0.46 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2k0f h THR 30 CO -0.87 0.08 -0.02 0.58 0.37 0.00 0.00 175.52 175.65 2k0f h VAL 31 N 0.42 1.22 -0.47 3.16 2.07 -1.19 -0.90 116.25 120.56 2k0f h VAL 31 Ca 0.63 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.61 2k0f h VAL 31 Cb 1.52 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 33.40 2k0f h VAL 31 CO -0.36 0.36 0.14 0.24 0.02 0.00 0.00 177.57 177.97 2k0f h MET 32 N -0.88 0.28 -0.41 1.57 2.86 -1.07 0.22 114.93 117.50 2k0f h MET 32 Ca -0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 32 Cb 0.65 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2k0f h MET 32 CO 0.01 0.19 0.06 -0.09 1.06 0.00 0.00 176.91 178.14 2k0f h ARG 33 N 0.29 0.68 -0.56 1.72 2.43 -0.74 0.21 114.38 118.42 2k0f h ARG 33 Ca 0.23 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2k0f h ARG 33 Cb 0.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2k0f h ARG 33 CO -0.26 0.73 0.07 0.77 -1.51 0.00 0.00 179.97 179.77 2k0f h SER 34 N 0.53 0.91 0.00 -3.80 0.02 -0.71 -3.34 113.55 107.16 2k0f h SER 34 Ca 0.12 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 34 Cb 0.39 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k0f h SER 34 CO 0.01 0.95 0.00 0.18 -1.14 0.00 0.00 176.83 176.83 2k0f n LEU 35 N -4.32 0.09 0.00 5.07 4.77 0.02 -4.87 117.00 117.77 2k0f n LEU 35 Ca 0.02 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2k0f n LEU 35 Cb 0.29 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2k0f n LEU 35 CO 0.42 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2k0f n GLY 36 N 0.28 0.87 3.64 -0.72 0.00 0.04 -5.07 105.19 104.23 2k0f n GLY 36 Ca 0.00 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 1.13 4.14 -0.38 1.61 0.74 -1.23 -4.48 119.66 121.20 2k0f s GLN 37 Ca 0.00 0.52 -0.11 0.00 0.05 0.00 0.00 55.36 55.82 2k0f s GLN 37 Cb 0.00 -3.62 0.03 0.00 1.10 0.00 0.00 33.01 30.52 2k0f s GLN 37 CO 0.00 -0.32 0.21 1.21 -0.55 0.00 0.00 175.29 175.84 2k0f s ASN 38 N 1.36 5.71 1.15 6.67 2.47 -1.26 -4.55 114.94 126.49 2k0f s ASN 38 Ca 0.26 -1.04 -0.18 0.00 0.42 0.00 0.00 52.86 52.32 2k0f s ASN 38 Cb -0.16 -2.01 0.26 0.00 -1.45 0.00 0.00 41.25 37.89 2k0f s ASN 38 CO 0.09 -0.40 1.12 -2.16 -3.72 0.00 0.00 177.10 172.04 2k0f s PRO 39 N 1.54 -0.77 0.46 0.43 0.04 -1.26 -4.98 135.00 130.46 2k0f s PRO 39 Ca 0.02 0.00 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 2k0f s PRO 39 Cb -0.19 -1.64 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2k0f s PRO 39 CO 0.06 -3.43 0.70 0.95 0.04 0.00 0.00 177.00 175.33 2k0f s THR 40 N -3.08 4.28 0.23 1.26 -4.23 -1.26 -4.87 115.64 107.97 2k0f s THR 40 Ca 0.70 -0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 2k0f s THR 40 Cb -0.11 -3.60 0.19 0.00 1.34 0.00 0.00 72.50 70.32 2k0f s THR 40 CO 0.56 -0.48 1.83 -0.33 -0.54 0.00 0.00 174.62 175.66 2k0f h GLU 41 N 0.34 1.21 0.00 3.99 5.08 -1.97 0.27 114.58 123.50 2k0f h GLU 41 Ca -0.47 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2k0f h GLU 41 Cb 1.24 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k0f h GLU 41 CO 0.59 0.93 0.00 0.00 -1.00 0.00 0.00 179.01 179.53 2k0f n ALA 42 N -2.42 1.83 -0.14 3.43 0.00 -1.26 -1.16 120.51 120.80 2k0f n ALA 42 Ca 0.08 -0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 2k0f n ALA 42 Cb 0.14 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 2k0f n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k0f n GLU 43 N -1.42 0.61 -0.16 0.00 1.02 -0.61 -3.97 120.64 116.11 2k0f n GLU 43 Ca 0.06 0.24 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 2k0f n GLU 43 Cb 0.17 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.10 2k0f n GLU 43 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k0f h LEU 44 N -0.70 0.62 -0.96 -4.62 5.85 -0.39 -2.25 115.31 112.86 2k0f h LEU 44 Ca -0.66 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 57.90 2k0f h LEU 44 Cb 1.70 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2k0f h LEU 44 CO -0.32 0.58 0.39 -0.61 -0.34 0.00 0.00 178.44 178.14 2k0f h GLN 45 N 0.62 1.14 -0.05 1.25 4.15 -1.36 -2.10 115.11 118.76 2k0f h GLN 45 Ca 0.16 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 45 Cb 0.12 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 2k0f h GLN 45 CO -0.02 0.87 0.01 0.22 -1.93 0.00 0.00 178.83 177.98 2k0f h ASP 46 N 1.13 0.08 -0.84 -0.69 1.82 -1.57 0.78 116.42 117.13 2k0f h ASP 46 Ca 0.28 -0.25 0.18 0.00 -0.39 0.00 0.00 57.03 56.85 2k0f h ASP 46 Cb 0.10 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.03 2k0f h ASP 46 CO -0.04 0.31 0.56 0.24 -1.61 0.00 0.00 179.24 178.70 2k0f h MET 47 N -0.16 0.38 0.05 0.28 2.86 -1.26 -2.80 114.93 114.27 2k0f h MET 47 Ca 0.01 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2k0f h MET 47 Cb 0.26 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.85 2k0f h MET 47 CO 0.00 0.25 -0.52 0.82 1.06 0.00 0.00 176.91 178.52 2k0f h ILE 48 N 0.39 1.53 -1.21 -1.22 2.04 -0.73 -3.31 117.51 115.00 2k0f h ILE 48 Ca 0.42 -2.24 0.37 0.00 1.00 0.00 0.00 64.86 64.41 2k0f h ILE 48 Cb 1.06 2.95 -0.11 0.00 -0.74 0.00 0.00 36.82 39.97 2k0f h ILE 48 CO -0.14 0.63 0.78 0.78 0.00 0.00 0.00 178.15 180.20 2k0f h ASN 49 N -0.40 0.31 -0.61 1.72 2.35 -0.59 0.35 115.58 118.71 2k0f h ASN 49 Ca -0.08 0.11 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 2k0f h ASN 49 Cb 1.32 0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.70 2k0f h ASN 49 CO 0.10 -0.07 0.29 -0.08 -1.65 0.00 0.00 177.43 176.02 2k0f h GLU 50 N 0.20 0.51 0.00 0.81 4.81 -1.63 -2.58 114.58 116.71 2k0f h GLU 50 Ca 0.72 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 2k0f h GLU 50 Cb 2.16 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.42 2k0f h GLU 50 CO -0.35 0.34 -1.26 1.33 -0.73 0.00 0.00 179.01 178.34 2k0f n VAL 51 N -4.89 0.26 -2.32 0.32 0.24 0.99 -4.91 118.33 108.02 2k0f n VAL 51 Ca 0.08 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2k0f n VAL 51 Cb 0.21 0.01 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 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 -4.48 6.97 -0.13 -1.34 -1.08 0.15 -4.82 116.67 111.93 2k0f s ASP 52 Ca -0.00 2.11 -0.09 0.00 -0.52 0.00 0.00 52.55 54.05 2k0f s ASP 52 Cb 0.13 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.95 2k0f s ASP 52 CO 0.83 -0.57 0.04 0.00 0.52 0.00 0.00 175.17 175.99 2k0f h ALA 53 N 7.01 0.03 0.00 3.66 0.00 -1.91 -3.39 119.26 124.66 2k0f h ALA 53 Ca -0.41 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 53 Cb 1.20 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k0f h ALA 53 CO 0.85 0.26 0.00 0.38 0.00 0.00 0.00 179.25 180.73 2k0f h ASP 54 N -1.00 0.00 0.00 0.00 2.03 -1.96 -3.47 116.42 112.01 2k0f h ASP 54 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2k0f h ASP 54 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 2k0f h ASP 54 CO -0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.80 2k0f n GLY 55 N 0.74 0.75 0.14 7.15 0.00 -1.26 -4.96 105.19 107.74 2k0f n GLY 55 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 1.61 -1.07 -1.93 -3.48 115.58 110.57 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 2k0f h ASN 56 CO 0.00 0.60 0.00 0.61 0.07 0.00 0.00 177.43 178.71 2k0f n GLY 57 N 0.69 1.07 2.88 9.14 0.00 -1.26 -5.09 105.19 112.62 2k0f n GLY 57 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.14 0.04 -0.23 2.61 -4.23 -1.26 -4.54 115.64 105.89 2k0f s THR 58 Ca 0.00 -0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2k0f s THR 58 Cb 0.00 -0.05 -0.05 0.00 1.34 0.00 0.00 72.50 73.75 2k0f s THR 58 CO 0.00 -0.01 0.26 -0.63 -0.54 0.00 0.00 174.62 173.70 2k0f s ILE 59 N -0.07 5.28 0.74 2.99 1.01 0.28 -4.77 121.20 126.67 2k0f s ILE 59 Ca -0.00 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 2k0f s ILE 59 Cb -0.01 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 39.00 2k0f s ILE 59 CO -0.00 0.29 1.02 -1.81 0.00 0.00 0.00 174.94 174.43 2k0f s ASP 60 N 1.18 4.28 -0.02 3.58 1.11 -1.26 -0.44 116.67 125.09 2k0f s ASP 60 Ca 0.12 -0.27 -0.24 0.00 0.18 0.00 0.00 52.55 52.34 2k0f s ASP 60 Cb -0.14 -0.10 -0.18 0.00 1.07 0.00 0.00 42.92 43.57 2k0f s ASP 60 CO 0.07 -1.91 1.15 0.15 1.18 0.00 0.00 175.17 175.80 2k0f h PHE 61 N -0.61 -0.16 0.00 4.23 3.57 -1.98 -0.66 116.94 121.32 2k0f h PHE 61 Ca -0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.27 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2k0f h PHE 61 CO -0.25 0.27 0.00 -1.00 -2.23 0.00 0.00 178.31 175.10 2k0f h PRO 62 N -0.66 0.00 -0.01 6.41 0.13 -1.96 -1.17 132.00 134.73 2k0f h PRO 62 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 2k0f h PRO 62 Cb 0.50 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.64 2k0f h PRO 62 CO 0.03 0.00 -0.38 0.93 -0.23 0.00 0.00 178.00 178.35 2k0f h GLU 63 N 0.00 0.28 -0.89 0.86 5.08 -1.78 -0.05 114.58 118.07 2k0f h GLU 63 Ca 0.00 -0.28 0.22 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 63 Cb 0.32 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 63 CO 0.00 0.98 0.39 0.35 -1.00 0.00 0.00 179.01 179.73 2k0f h PHE 64 N -0.31 0.65 -0.05 4.33 3.57 -1.02 -1.88 116.94 122.23 2k0f h PHE 64 Ca -0.04 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2k0f h PHE 64 Cb 1.10 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 64 CO 0.16 -0.04 -0.91 -0.07 -2.23 0.00 0.00 178.31 175.22 2k0f h LEU 65 N 0.41 0.88 -1.22 0.59 3.38 -1.04 -0.33 115.31 117.98 2k0f h LEU 65 Ca 0.56 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.92 2k0f h LEU 65 Cb 1.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2k0f h LEU 65 CO -0.52 1.46 0.57 0.74 0.09 0.00 0.00 178.44 180.78 2k0f h THR 66 N 0.38 0.97 -0.04 0.22 2.02 -0.83 0.88 112.91 116.52 2k0f h THR 66 Ca -0.10 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 2k0f h THR 66 Cb 1.56 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2k0f h THR 66 CO 0.18 0.16 -0.35 -0.03 0.37 0.00 0.00 175.52 175.85 2k0f h MET 67 N 0.87 0.31 0.07 6.66 1.85 -1.04 -3.31 114.93 120.33 2k0f h MET 67 Ca 0.40 -0.28 -0.21 0.00 -0.61 0.00 0.00 59.70 59.01 2k0f h MET 67 Cb 0.40 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 2k0f h MET 67 CO -0.17 0.94 -1.08 0.52 -0.40 0.00 0.00 176.91 176.73 2k0f h MET 68 N -0.24 0.14 0.00 0.39 2.86 -0.89 -3.39 114.93 113.81 2k0f h MET 68 Ca -0.03 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2k0f h MET 68 Cb 1.03 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2k0f h MET 68 CO 0.07 1.11 0.00 0.00 1.06 0.00 0.00 176.91 179.16 2k0f n ALA 69 N -2.99 2.39 -2.71 6.32 0.00 0.29 -4.78 120.51 119.02 2k0f n ALA 69 Ca -0.23 -0.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 2k0f n ALA 69 Cb 0.76 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.70 4.41 0.04 0.00 3.52 -1.25 -5.04 118.95 117.94 2k0f s ARG 70 Ca 0.23 0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 2k0f s ARG 70 Cb 0.19 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 30.04 2k0f s ARG 70 CO 0.46 0.02 1.59 0.15 -0.81 0.00 0.00 175.30 176.71 2k0f s LYS 71 N 0.96 4.22 0.47 5.12 1.02 -1.26 -5.01 119.74 125.26 2k0f s LYS 71 Ca 0.37 2.22 0.06 0.00 0.02 0.00 0.00 55.97 58.64 2k0f s LYS 71 Cb -0.17 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.48 2k0f s LYS 71 CO 0.17 -0.71 0.25 -1.64 -0.92 0.00 0.00 175.35 172.50 2k0f s MET 72 N 2.74 2.26 0.54 1.68 -1.94 -1.26 -5.12 119.30 118.20 2k0f s MET 72 Ca 0.71 -1.95 -0.22 0.00 -1.71 0.00 0.00 55.69 52.52 2k0f s MET 72 Cb -0.37 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 34.43 2k0f s MET 72 CO 0.31 -0.33 1.32 0.21 -0.01 0.00 0.00 175.02 176.52 2k0f s LYS 73 N -4.05 3.19 0.23 2.03 2.20 -1.26 -4.75 119.74 117.34 2k0f s LYS 73 Ca 0.34 2.15 -0.06 0.00 -0.36 0.00 0.00 55.97 58.04 2k0f s LYS 73 Cb 0.01 -2.25 0.33 0.00 -1.51 0.00 0.00 37.83 34.41 2k0f s LYS 73 CO 0.20 -1.12 1.83 0.38 -0.36 0.00 0.00 175.35 176.27 2k0f h ASP 74 N 1.47 0.70 0.21 1.43 2.03 -1.99 0.27 116.42 120.54 2k0f h ASP 74 Ca -0.51 0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 55.81 2k0f h ASP 74 Cb 1.29 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2k0f h ASP 74 CO 0.57 0.43 -0.10 0.71 -1.03 0.00 0.00 179.24 179.83 2k0f h THR 75 N 0.83 0.85 -0.61 1.15 1.35 -1.99 -2.52 112.91 111.97 2k0f h THR 75 Ca 0.36 -0.33 0.13 0.00 -0.55 0.00 0.00 66.41 66.02 2k0f h THR 75 Cb 0.24 1.05 -0.10 0.00 -1.73 0.00 0.00 68.15 67.60 2k0f h THR 75 CO -0.20 0.08 -0.02 0.44 -0.25 0.00 0.00 175.52 175.57 2k0f h ASP 76 N -0.45 -0.30 -0.61 5.36 3.32 -1.89 -2.46 116.42 119.39 2k0f h ASP 76 Ca -0.03 0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.23 2k0f h ASP 76 Cb 0.34 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 2k0f h ASP 76 CO 0.05 -0.12 0.33 0.28 -1.72 0.00 0.00 179.24 178.06 2k0f h SER 77 N 0.10 0.49 0.44 6.45 0.02 -0.41 -1.39 113.55 119.25 2k0f h SER 77 Ca 0.31 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 2k0f h SER 77 Cb 0.51 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k0f h SER 77 CO -0.53 0.32 -0.58 -0.08 -1.14 0.00 0.00 176.83 174.82 2k0f h GLU 78 N 0.62 0.14 0.76 3.45 4.81 -1.24 -2.80 114.58 120.31 2k0f h GLU 78 Ca 0.27 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 2k0f h GLU 78 Cb 0.16 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k0f h GLU 78 CO -0.17 0.68 -0.44 0.93 -0.73 0.00 0.00 179.01 179.28 2k0f h GLU 79 N 0.11 -1.07 -0.66 1.92 5.08 -0.92 -0.24 114.58 118.79 2k0f h GLU 79 Ca -0.00 0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.62 2k0f h GLU 79 Cb 1.05 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2k0f h GLU 79 CO 0.08 -0.72 0.61 1.49 -1.00 0.00 0.00 179.01 179.48 2k0f h GLU 80 N -1.11 0.00 0.03 2.33 4.81 -1.21 -0.15 114.58 119.27 2k0f h GLU 80 Ca -0.10 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 80 Cb 0.89 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 80 CO 0.12 0.00 -2.16 -0.89 -0.73 0.00 0.00 179.01 175.35 2k0f n ILE 81 N -3.82 1.56 -0.27 2.32 5.41 -1.07 -3.51 119.36 119.98 2k0f n ILE 81 Ca 0.13 -0.73 -0.06 0.00 1.00 0.00 0.00 62.75 63.09 2k0f n ILE 81 Cb 0.86 -1.12 0.05 0.00 -0.71 0.00 0.00 39.64 38.72 2k0f n ILE 81 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2k0f h ARG 82 N 0.02 1.09 0.00 0.38 2.43 0.67 -0.43 114.38 118.54 2k0f h ARG 82 Ca -0.47 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 58.40 2k0f h ARG 82 Cb 2.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.41 2k0f h ARG 82 CO 0.02 0.89 -0.75 0.93 -1.51 0.00 0.00 179.97 179.55 2k0f h GLU 83 N 1.05 0.00 -0.63 0.20 4.39 -1.39 -2.51 114.58 115.70 2k0f h GLU 83 Ca 0.25 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 2k0f h GLU 83 Cb 0.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2k0f h GLU 83 CO -0.02 0.41 0.21 0.00 -1.16 0.00 0.00 179.01 178.44 2k0f h ALA 84 N 1.52 1.19 -0.31 3.43 0.00 -1.49 -3.11 119.26 120.48 2k0f h ALA 84 Ca -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2k0f h ALA 84 Cb 1.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 84 CO 0.06 0.57 0.05 0.35 0.00 0.00 0.00 179.25 180.27 2k0f h PHE 85 N 0.91 0.55 -0.03 0.00 3.57 -0.97 -3.27 116.94 117.71 2k0f h PHE 85 Ca 0.21 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 85 Cb 0.24 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2k0f h PHE 85 CO 0.02 0.61 0.41 -0.09 -2.23 0.00 0.00 178.31 177.02 2k0f h ARG 86 N 0.34 0.00 0.00 1.11 2.43 -1.38 0.57 114.38 117.45 2k0f h ARG 86 Ca 0.09 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2k0f h ARG 86 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2k0f h ARG 86 CO 0.01 0.00 -0.65 0.28 -1.51 0.00 0.00 179.97 178.09 2k0f h VAL 87 N 0.00 1.20 0.03 0.20 2.07 -1.61 -3.12 116.25 115.02 2k0f h VAL 87 Ca 0.01 -2.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 2k0f h VAL 87 Cb 0.83 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2k0f h VAL 87 CO -0.00 0.64 -0.01 -0.26 0.02 0.00 0.00 177.57 177.96 2k0f h PHE 88 N 0.00 -0.04 -3.44 1.57 0.04 -1.13 -3.45 116.94 110.49 2k0f h PHE 88 Ca -0.01 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.10 2k0f h PHE 88 Cb 1.40 0.01 -0.16 0.00 2.20 0.00 0.00 35.95 39.40 2k0f h PHE 88 CO 0.00 0.59 0.12 0.34 -0.60 0.00 0.00 178.31 178.76 2k0f s ASP 89 N -5.89 6.28 -0.16 2.17 2.15 -0.16 -4.77 116.67 116.29 2k0f s ASP 89 Ca -0.13 -0.54 -0.22 0.00 0.43 0.00 0.00 52.55 52.09 2k0f s ASP 89 Cb -0.01 -2.31 -0.23 0.00 -0.30 0.00 0.00 42.92 40.06 2k0f s ASP 89 CO 0.48 -0.84 0.44 0.11 -0.17 0.00 0.00 175.17 175.19 2k0f h LYS 90 N 8.95 0.06 -0.73 4.34 1.57 -1.87 -3.39 116.57 125.49 2k0f h LYS 90 Ca -0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 2k0f h LYS 90 Cb 1.09 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 2k0f h LYS 90 CO 0.93 1.05 0.34 0.38 -0.57 0.00 0.00 179.45 181.58 2k0f h ASP 91 N -0.81 0.97 0.00 0.86 3.04 -1.94 -3.47 116.42 115.08 2k0f h ASP 91 Ca -0.25 -0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 2k0f h ASP 91 Cb 1.35 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 2k0f h ASP 91 CO -0.09 0.84 0.00 0.61 -2.04 0.00 0.00 179.24 178.56 2k0f n GLY 92 N -0.96 1.10 0.22 7.15 0.00 -1.26 -5.00 105.19 106.44 2k0f n GLY 92 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.39 0.00 1.61 -1.07 -1.92 -3.47 115.58 111.11 2k0f h ASN 93 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.22 2k0f h ASN 93 Cb 0.00 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.14 2k0f h ASN 93 CO 0.00 0.71 0.00 0.61 0.07 0.00 0.00 177.43 178.82 2k0f n GLY 94 N -0.26 1.47 3.03 9.14 0.00 -1.26 -5.12 105.19 112.19 2k0f n GLY 94 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 0.05 -0.49 1.61 1.51 -1.26 -3.03 117.35 113.74 2k0f s TYR 95 Ca 0.00 -0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 55.80 2k0f s TYR 95 Cb 0.00 -0.06 0.10 0.00 -0.11 0.00 0.00 41.96 41.89 2k0f s TYR 95 CO 0.00 -0.18 0.42 0.42 -1.11 0.00 0.00 175.55 175.10 2k0f s ILE 96 N -0.91 5.10 0.88 2.71 1.01 0.56 -4.85 121.20 125.70 2k0f s ILE 96 Ca -0.10 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 2k0f s ILE 96 Cb -0.06 -4.15 0.12 0.00 0.01 0.00 0.00 42.46 38.38 2k0f s ILE 96 CO 0.00 -0.69 1.09 -0.94 0.00 0.00 0.00 174.94 174.40 2k0f s SER 97 N 2.94 3.53 0.41 3.58 1.04 -1.26 -3.20 113.70 120.75 2k0f s SER 97 Ca 0.04 1.59 0.22 0.00 0.48 0.00 0.00 55.95 58.28 2k0f s SER 97 Cb -0.26 -2.27 0.35 0.00 0.10 0.00 0.00 66.02 63.94 2k0f s SER 97 CO 0.05 -2.62 1.60 0.00 0.98 0.00 0.00 173.24 173.25 2k0f h ALA 98 N -1.53 0.93 -0.40 5.32 0.00 -1.98 -0.81 119.26 120.79 2k0f h ALA 98 Ca -0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 98 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2k0f h ALA 98 CO 0.53 0.15 0.15 0.00 0.00 0.00 0.00 179.25 180.07 2k0f h ALA 99 N 1.88 0.52 0.97 0.00 0.00 -1.98 -1.19 119.26 119.46 2k0f h ALA 99 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k0f h ALA 99 Cb 1.05 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k0f h ALA 99 CO 0.02 0.14 -0.46 0.93 0.00 0.00 0.00 179.25 179.87 2k0f h GLU 100 N 0.50 -1.25 -0.88 0.00 5.08 -1.77 -2.39 114.58 113.87 2k0f h GLU 100 Ca 0.13 0.09 0.15 0.00 -1.00 0.00 0.00 59.36 58.72 2k0f h GLU 100 Cb 0.22 0.28 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 100 CO -0.01 -0.83 0.48 1.25 -1.00 0.00 0.00 179.01 178.90 2k0f h LEU 101 N -1.34 0.61 -0.56 1.33 5.85 -1.17 -1.69 115.31 118.34 2k0f h LEU 101 Ca -0.13 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2k0f h LEU 101 Cb 0.99 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 2k0f h LEU 101 CO 0.22 0.27 -0.34 0.03 -0.34 0.00 0.00 178.44 178.28 2k0f h ARG 102 N 0.69 -0.17 0.26 1.25 3.08 -1.26 -2.31 114.38 115.92 2k0f h ARG 102 Ca 0.48 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.54 2k0f h ARG 102 Cb 0.65 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2k0f h ARG 102 CO -0.35 -0.11 -0.19 1.25 -1.07 0.00 0.00 179.97 179.49 2k0f h HIS 103 N -0.18 -0.51 -0.50 3.04 2.76 -0.77 -3.03 115.15 115.96 2k0f h HIS 103 Ca 0.22 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 2k0f h HIS 103 Cb 0.55 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.62 2k0f h HIS 103 CO -0.62 -0.30 -0.43 0.28 -1.30 0.00 0.00 177.93 175.56 2k0f h VAL 104 N -0.46 0.00 -0.60 5.26 2.07 -1.21 -3.12 116.25 118.19 2k0f h VAL 104 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 104 Cb 0.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2k0f h VAL 104 CO -0.01 0.00 0.31 0.24 0.02 0.00 0.00 177.57 178.14 2k0f h MET 105 N -0.17 0.57 -0.33 1.57 2.07 -1.30 0.45 114.93 117.80 2k0f h MET 105 Ca 0.08 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 105 Cb 0.39 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 2k0f h MET 105 CO -0.56 0.38 0.15 0.00 1.07 0.00 0.00 176.91 177.95 2k0f h THR 106 N 0.59 1.16 -0.74 2.22 1.03 -1.52 -0.08 112.91 115.58 2k0f h THR 106 Ca 0.27 -0.48 -0.05 0.00 -0.01 0.00 0.00 66.41 66.14 2k0f h THR 106 Cb 0.18 0.87 -0.03 0.00 -1.07 0.00 0.00 68.15 68.10 2k0f h THR 106 CO -0.18 0.17 0.26 0.78 -0.01 0.00 0.00 175.52 176.54 2k0f h ASN 107 N 0.40 1.04 -0.89 0.00 2.35 -1.41 -2.81 115.58 114.26 2k0f h ASN 107 Ca 0.11 -0.18 0.24 0.00 -0.55 0.00 0.00 56.30 55.92 2k0f h ASN 107 Cb 0.13 -0.27 -0.15 0.00 0.05 0.00 0.00 38.32 38.08 2k0f h ASN 107 CO -0.01 0.95 0.15 0.25 -1.65 0.00 0.00 177.43 177.11 2k0f h LEU 108 N 1.09 -0.18 0.00 1.61 5.85 -0.04 -3.41 115.31 120.23 2k0f h LEU 108 Ca 0.24 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2k0f h LEU 108 Cb 0.26 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2k0f h LEU 108 CO -0.01 -0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.47 2k0f n GLY 109 N -1.41 1.78 3.87 3.75 0.00 -0.87 -4.86 105.19 107.45 2k0f n GLY 109 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 3.79 -0.64 1.61 0.41 -0.10 -5.03 118.70 118.58 2k0f s GLU 110 Ca 0.00 0.21 -0.25 0.00 -0.41 0.00 0.00 54.97 54.52 2k0f s GLU 110 Cb 0.00 -2.91 0.05 0.00 -1.78 0.00 0.00 34.13 29.49 2k0f s GLU 110 CO 0.00 0.49 1.07 0.15 -0.49 0.00 0.00 175.26 176.48 2k0f s LYS 111 N -2.17 3.23 -0.43 1.61 1.02 -1.26 -4.20 119.74 117.53 2k0f s LYS 111 Ca 0.37 -0.41 -0.28 0.00 0.02 0.00 0.00 55.97 55.67 2k0f s LYS 111 Cb -0.13 -4.15 -0.00 0.00 -0.52 0.00 0.00 37.83 33.03 2k0f s LYS 111 CO 0.20 -1.80 1.56 -1.17 -0.92 0.00 0.00 175.35 173.21 2k0f s LEU 112 N 4.58 3.50 -0.30 3.17 2.96 -1.26 -4.97 118.68 126.36 2k0f s LEU 112 Ca 0.30 0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 54.91 2k0f s LEU 112 Cb -0.12 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2k0f s LEU 112 CO 0.15 -1.64 0.22 -0.89 -1.32 0.00 0.00 176.35 172.87 2k0f s THR 113 N 6.27 5.29 0.13 3.68 2.01 -1.26 -5.01 115.64 126.75 2k0f s THR 113 Ca 0.65 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.52 2k0f s THR 113 Cb -0.15 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k0f s THR 113 CO 0.31 0.15 1.74 -0.78 -0.69 0.00 0.00 174.62 175.34 2k0f h ASP 114 N 8.41 0.36 -0.60 3.53 3.58 -2.01 -3.08 116.42 126.60 2k0f h ASP 114 Ca -0.33 -0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.16 2k0f h ASP 114 Cb 1.18 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 42.04 2k0f h ASP 114 CO 0.59 0.33 0.09 -0.08 -2.88 0.00 0.00 179.24 177.28 2k0f h GLU 115 N 0.36 0.20 -0.25 0.28 4.81 -2.01 -3.15 114.58 114.82 2k0f h GLU 115 Ca 0.10 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2k0f h GLU 115 CO -0.02 0.13 -0.14 1.49 -0.73 0.00 0.00 179.01 179.74 2k0f h GLU 116 N 0.21 0.54 -0.73 1.92 4.81 -1.97 -2.50 114.58 116.85 2k0f h GLU 116 Ca 0.32 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2k0f h GLU 116 Cb 0.49 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2k0f h GLU 116 CO -0.44 0.81 0.38 0.28 -0.73 0.00 0.00 179.01 179.31 2k0f h VAL 117 N 0.27 0.86 0.00 0.32 2.07 -1.57 -1.31 116.25 116.89 2k0f h VAL 117 Ca 0.05 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2k0f h VAL 117 Cb 0.66 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2k0f h VAL 117 CO 0.04 0.12 -0.44 0.44 0.02 0.00 0.00 177.57 177.75 2k0f h ASP 118 N 0.64 0.00 0.67 0.57 3.32 -1.42 -1.47 116.42 118.73 2k0f h ASP 118 Ca 0.36 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 2k0f h ASP 118 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2k0f h ASP 118 CO -0.27 0.44 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.21 2k0f h GLU 119 N 0.00 0.00 -0.03 3.56 4.39 -1.28 0.12 114.58 121.34 2k0f h GLU 119 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 119 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2k0f h GLU 119 CO 0.06 0.15 -0.03 1.98 -1.16 0.00 0.00 179.01 180.01 2k0f h MET 120 N 0.00 0.07 -0.19 2.33 4.05 -0.30 -1.71 114.93 119.17 2k0f h MET 120 Ca -0.00 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 120 Cb 0.53 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 2k0f h MET 120 CO 0.02 0.53 -0.14 0.82 0.23 0.00 0.00 176.91 178.37 2k0f h ILE 121 N -0.40 0.60 -0.15 1.77 1.08 -1.19 -2.98 117.51 116.24 2k0f h ILE 121 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 121 Cb 0.52 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2k0f h ILE 121 CO 0.01 0.00 0.08 -0.09 -0.69 0.00 0.00 178.15 177.46 2k0f h ARG 122 N -0.15 0.20 0.00 2.37 2.43 -0.54 -1.13 114.38 117.56 2k0f h ARG 122 Ca 0.11 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 122 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2k0f h ARG 122 CO -0.28 0.19 -0.47 1.05 -1.51 0.00 0.00 179.97 178.96 2k0f h GLU 123 N 0.15 0.00 0.02 0.20 4.11 -1.38 -3.18 114.58 114.50 2k0f h GLU 123 Ca 0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k0f h GLU 123 CO -0.01 0.47 -1.14 0.00 0.07 0.00 0.00 179.01 178.40 2k0f h ALA 124 N 1.53 0.37 -2.26 1.06 0.00 -1.24 -3.45 119.26 115.28 2k0f h ALA 124 Ca -0.00 -0.99 -0.58 0.00 0.00 0.00 0.00 54.91 53.34 2k0f h ALA 124 Cb 0.93 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 124 CO 0.06 1.26 0.95 -3.47 0.00 0.00 0.00 179.25 178.05 2k0f n ASP 125 N -3.33 3.39 -0.10 0.00 -0.08 -0.48 -4.94 116.55 111.00 2k0f n ASP 125 Ca -0.04 1.03 -0.14 0.00 -1.51 0.00 0.00 54.79 54.14 2k0f n ASP 125 Cb 0.97 -1.44 -0.05 0.00 2.34 0.00 0.00 41.12 42.94 2k0f n ASP 125 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2k0f n ILE 126 N 4.15 1.49 0.18 5.18 2.08 -1.26 -4.65 119.36 126.53 2k0f n ILE 126 Ca 0.19 0.03 0.02 0.00 0.56 0.00 0.00 62.75 63.55 2k0f n ILE 126 Cb 0.31 -2.23 0.34 0.00 -0.75 0.00 0.00 39.64 37.31 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 2k0f h ASP 127 N -1.00 0.00 0.00 4.38 3.04 -1.93 -3.48 116.42 117.43 2k0f h ASP 127 Ca -0.18 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 2k0f h ASP 127 Cb 1.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.34 2k0f h ASP 127 CO -0.11 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.10 2k0f n GLY 128 N -0.38 0.97 0.06 7.15 0.00 -1.26 -5.00 105.19 106.72 2k0f n GLY 128 Ca -0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 2.03 -1.97 -3.48 116.42 114.61 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 2k0f h ASP 129 CO 0.00 0.98 0.00 0.61 -1.03 0.00 0.00 179.24 179.80 2k0f n GLY 130 N 1.36 1.33 3.10 7.15 0.00 -1.26 -5.11 105.19 111.76 2k0f n GLY 130 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.09 0.63 -0.16 1.61 -0.21 -1.26 -4.67 119.66 115.51 2k0f s GLN 131 Ca 0.00 -0.89 -0.19 0.00 0.02 0.00 0.00 55.36 54.30 2k0f s GLN 131 Cb 0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 2k0f s GLN 131 CO 0.00 0.06 0.53 0.08 -2.12 0.00 0.00 175.29 173.83 2k0f s VAL 132 N -1.78 5.12 0.57 1.09 1.01 -1.19 -4.84 120.40 120.37 2k0f s VAL 132 Ca -0.05 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.01 2k0f s VAL 132 Cb -0.07 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.55 2k0f s VAL 132 CO -0.00 0.22 0.78 -0.46 0.00 0.00 0.00 175.10 175.65 2k0f n ASN 133 N 4.37 1.76 -0.02 3.32 0.23 -1.26 -0.32 115.26 123.35 2k0f n ASN 133 Ca -0.05 -2.32 -0.10 0.00 -0.53 0.00 0.00 54.58 51.58 2k0f n ASN 133 Cb 0.51 -0.44 -0.04 0.00 -2.08 0.00 0.00 39.78 37.72 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.08 0.09 -0.73 -2.53 3.20 -1.96 -0.99 116.97 113.98 2k0f h TYR 134 Ca -0.26 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.63 2k0f h TYR 134 Cb 1.14 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 2k0f h TYR 134 CO 0.00 0.05 0.47 1.49 -1.64 0.00 0.00 178.16 178.53 2k0f h GLU 135 N 0.13 0.92 0.00 1.82 4.81 -1.96 -1.01 114.58 119.29 2k0f h GLU 135 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k0f h GLU 135 Cb 0.03 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2k0f h GLU 135 CO -0.06 0.61 -0.06 0.93 -0.73 0.00 0.00 179.01 179.69 2k0f h GLU 136 N 0.94 0.00 0.22 1.92 5.08 -1.85 -1.38 114.58 119.52 2k0f h GLU 136 Ca 0.28 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 136 Cb -0.05 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 136 CO -0.08 0.06 -1.57 0.35 -1.00 0.00 0.00 179.01 176.76 2k0f h PHE 137 N 0.00 0.86 0.02 4.33 3.57 -0.97 -3.36 116.94 121.39 2k0f h PHE 137 Ca -0.00 -0.62 -0.00 0.00 3.53 0.00 0.00 57.97 60.87 2k0f h PHE 137 Cb 0.28 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2k0f h PHE 137 CO 0.00 1.61 -0.01 0.28 -2.23 0.00 0.00 178.31 177.96 2k0f h VAL 138 N 0.10 1.19 0.00 1.41 2.07 -0.63 -1.13 116.25 119.26 2k0f h VAL 138 Ca -0.29 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 2k0f h VAL 138 Cb 2.12 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2k0f h VAL 138 CO 0.23 0.17 -0.13 1.56 0.02 0.00 0.00 177.57 179.42 2k0f h GLN 139 N -0.32 0.00 0.05 1.57 1.08 -1.52 -1.90 115.11 114.07 2k0f h GLN 139 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2k0f h GLN 139 Cb 0.31 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2k0f h GLN 139 CO 0.01 0.13 -0.58 1.98 -0.95 0.00 0.00 178.83 179.41 2k0f h MET 140 N 0.00 0.30 -0.51 1.46 4.05 -1.71 -3.35 114.93 115.17 2k0f h MET 140 Ca -0.00 -0.39 0.07 0.00 -0.28 0.00 0.00 59.70 59.10 2k0f h MET 140 Cb 1.00 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 2k0f h MET 140 CO 0.02 1.12 0.35 1.98 0.23 0.00 0.00 176.91 180.60 2k0f h MET 141 N -0.34 0.39 -0.01 0.39 1.85 -0.94 -3.52 114.93 112.76 2k0f h MET 141 Ca -0.09 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2k0f h MET 141 Cb 1.37 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.31 2k0f h MET 141 CO 0.11 0.26 0.00 0.25 -0.40 0.00 0.00 176.91 177.13