#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 -3.44 -0.78 2.13 -1.26 -4.87 120.64 112.41 2k0f n GLU 2 Ca 0.00 0.08 -0.26 0.00 0.66 0.00 0.00 57.16 57.63 2k0f n GLU 2 Cb 0.00 -0.58 -0.09 0.00 0.27 0.00 0.00 31.44 31.03 2k0f n GLU 2 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k0f n GLU 3 N -0.73 0.92 -0.15 5.31 1.02 -1.26 -5.03 120.64 120.72 2k0f n GLU 3 Ca 0.00 -3.62 0.06 0.00 -0.02 0.00 0.00 57.16 53.58 2k0f n GLU 3 Cb 0.00 -1.75 0.36 0.00 -0.02 0.00 0.00 31.44 30.04 2k0f n GLU 3 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2k0f h GLN 4 N 5.00 0.70 -0.23 3.49 4.15 -1.98 -1.60 115.11 124.64 2k0f h GLN 4 Ca 0.19 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 4 Cb 0.84 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 2k0f h GLN 4 CO 0.52 0.46 -0.23 0.82 -1.93 0.00 0.00 178.83 178.47 2k0f h ILE 5 N 0.72 1.32 -0.14 2.39 1.08 -1.98 -1.81 117.51 119.08 2k0f h ILE 5 Ca 0.28 -1.40 -0.09 0.00 -0.39 0.00 0.00 64.86 63.27 2k0f h ILE 5 Cb 0.19 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2k0f h ILE 5 CO -0.09 0.43 -0.24 0.00 -0.69 0.00 0.00 178.15 177.56 2k0f h ALA 6 N 0.67 0.22 -0.06 1.87 0.00 -1.96 -2.65 119.26 117.35 2k0f h ALA 6 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 6 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k0f h ALA 6 CO 0.06 0.20 -0.24 1.49 0.00 0.00 0.00 179.25 180.75 2k0f h GLU 7 N 0.03 0.10 0.08 0.00 4.81 -1.28 -2.33 114.58 115.99 2k0f h GLU 7 Ca 0.01 -0.03 -0.34 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 7 Cb 0.82 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 7 CO 0.06 0.34 -1.94 0.34 -0.73 0.00 0.00 179.01 177.07 2k0f n PHE 8 N -4.22 1.09 0.13 0.92 7.35 -0.68 -1.81 117.46 120.24 2k0f n PHE 8 Ca -0.02 0.28 0.03 0.00 -0.76 0.00 0.00 57.45 56.98 2k0f n PHE 8 Cb 0.32 -1.16 0.42 0.00 0.35 0.00 0.00 39.48 39.41 2k0f n PHE 8 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2k0f h LYS 9 N 0.05 0.23 0.22 -4.13 3.64 -1.46 -1.03 116.57 114.08 2k0f h LYS 9 Ca -0.39 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.62 2k0f h LYS 9 Cb 2.03 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 33.84 2k0f h LYS 9 CO 0.08 0.33 -1.43 1.49 -2.27 0.00 0.00 179.45 177.64 2k0f h GLU 10 N 0.22 0.46 -0.66 1.90 4.81 -1.42 -3.19 114.58 116.71 2k0f h GLU 10 Ca 0.05 -0.78 0.05 0.00 -0.13 0.00 0.00 59.36 58.54 2k0f h GLU 10 Cb 0.30 0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 10 CO 0.02 1.37 0.38 0.00 -0.73 0.00 0.00 179.01 180.05 2k0f h ALA 11 N 0.28 0.87 -0.55 2.92 0.00 -1.16 -3.00 119.26 118.63 2k0f h ALA 11 Ca -0.23 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 11 Cb 2.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2k0f h ALA 11 CO 0.25 0.08 -0.07 0.35 0.00 0.00 0.00 179.25 179.87 2k0f h PHE 12 N 0.72 1.09 0.00 0.00 3.04 -1.31 -0.11 116.94 120.37 2k0f h PHE 12 Ca 0.29 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 62.03 2k0f h PHE 12 Cb 0.13 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.36 2k0f h PHE 12 CO -0.07 1.00 0.00 0.43 -2.02 0.00 0.00 178.31 177.65 2k0f n SER 13 N -4.16 0.20 -0.10 0.41 7.64 -1.14 -1.95 113.62 114.52 2k0f n SER 13 Ca 0.02 0.56 -0.07 0.00 1.01 0.00 0.00 58.87 60.40 2k0f n SER 13 Cb 0.37 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.74 0.02 -3.43 5.85 -0.90 -3.35 115.31 112.75 2k0f h LEU 14 Ca 0.00 0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 2k0f h LEU 14 Cb 0.17 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2k0f h LEU 14 CO 0.00 -0.25 -0.72 -0.26 -0.34 0.00 0.00 178.44 176.86 2k0f h PHE 15 N -0.18 0.06 -2.97 1.25 0.04 -1.53 -3.45 116.94 110.16 2k0f h PHE 15 Ca 0.17 -0.05 -0.56 0.00 2.80 0.00 0.00 57.97 60.34 2k0f h PHE 15 Cb 0.45 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 2k0f h PHE 15 CO -0.43 1.28 0.82 0.34 -0.60 0.00 0.00 178.31 179.73 2k0f s ASP 16 N -6.61 6.98 -0.18 2.17 2.15 -0.96 -4.76 116.67 115.47 2k0f s ASP 16 Ca -0.23 1.76 -0.15 0.00 0.43 0.00 0.00 52.55 54.36 2k0f s ASP 16 Cb 0.02 -2.55 -0.11 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 16 CO 0.66 -0.69 0.00 1.17 -0.17 0.00 0.00 175.17 176.14 2k0f n LYS 17 N 6.02 0.51 -0.03 4.34 3.00 -1.26 -4.43 118.16 126.31 2k0f n LYS 17 Ca 0.13 0.55 -0.14 0.00 -0.00 0.00 0.00 58.31 58.85 2k0f n LYS 17 Cb 0.45 -1.72 -0.11 0.00 0.00 0.00 0.00 35.03 33.66 2k0f n LYS 17 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 18 N -1.00 0.09 -0.15 3.14 3.04 -1.96 -3.50 116.42 116.09 2k0f h ASP 18 Ca -0.18 -0.66 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 2k0f h ASP 18 Cb 0.91 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.17 2k0f h ASP 18 CO -0.11 0.74 0.00 0.61 -2.04 0.00 0.00 179.24 178.44 2k0f n GLY 19 N 0.70 0.80 0.07 7.15 0.00 -1.26 -5.00 105.19 107.65 2k0f n GLY 19 Ca -0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 1.61 3.04 -1.96 -3.48 116.42 115.64 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2k0f h ASP 20 CO 0.00 0.93 0.00 0.61 -2.04 0.00 0.00 179.24 178.74 2k0f n GLY 21 N 1.34 1.10 2.97 7.15 0.00 -1.26 -5.12 105.19 111.37 2k0f n GLY 21 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.72 -0.23 2.61 -4.23 -1.26 -3.62 115.64 107.62 2k0f s THR 22 Ca 0.00 -0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 2k0f s THR 22 Cb 0.00 -0.66 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 2k0f s THR 22 CO 0.00 0.24 0.17 -0.63 -0.54 0.00 0.00 174.62 173.86 2k0f s ILE 23 N 0.38 5.36 0.49 2.99 1.01 -0.53 -4.79 121.20 126.11 2k0f s ILE 23 Ca -0.06 0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.88 2k0f s ILE 23 Cb -0.10 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.90 2k0f s ILE 23 CO 0.01 0.35 0.65 0.42 0.00 0.00 0.00 174.94 176.37 2k0f s THR 24 N 0.97 2.59 0.26 2.92 -4.23 -1.26 -2.12 115.64 114.77 2k0f s THR 24 Ca 0.08 -1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2k0f s THR 24 Cb -0.13 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.33 2k0f s THR 24 CO 0.04 0.00 1.83 0.71 -0.54 0.00 0.00 174.62 176.65 2k0f h THR 25 N 0.47 0.94 0.20 3.99 1.35 -1.93 -0.38 112.91 117.55 2k0f h THR 25 Ca -0.36 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 2k0f h THR 25 Cb 1.28 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2k0f h THR 25 CO 0.44 0.16 -0.10 0.50 -0.25 0.00 0.00 175.52 176.28 2k0f h LYS 26 N 0.90 -0.26 -0.41 4.72 3.64 -1.96 -2.15 116.57 121.03 2k0f h LYS 26 Ca 0.43 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2k0f h LYS 26 Cb 0.37 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2k0f h LYS 26 CO -0.24 -0.15 0.21 0.93 -2.27 0.00 0.00 179.45 177.93 2k0f h GLU 27 N -0.30 0.59 0.12 1.90 5.08 -1.77 0.18 114.58 120.37 2k0f h GLU 27 Ca -0.03 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 27 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 27 CO 0.05 0.50 -0.28 1.25 -1.00 0.00 0.00 179.01 179.52 2k0f h LEU 28 N 0.53 -0.80 -0.91 1.33 5.85 -1.22 -3.18 115.31 116.91 2k0f h LEU 28 Ca 0.14 0.09 0.18 0.00 0.84 0.00 0.00 57.88 59.14 2k0f h LEU 28 Cb 0.09 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 2k0f h LEU 28 CO -0.02 -0.37 0.48 1.23 -0.34 0.00 0.00 178.44 179.41 2k0f h GLY 29 N -0.50 1.56 0.95 3.75 0.00 -0.95 -2.43 103.07 105.44 2k0f h GLY 29 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2k0f h GLY 29 CO -0.16 -0.12 0.17 -0.84 0.00 0.00 0.00 176.54 175.59 2k0f h THR 30 N 0.59 1.20 -0.19 4.70 2.02 -0.64 -1.07 112.91 119.52 2k0f h THR 30 Ca 0.53 -0.60 -0.19 0.00 0.77 0.00 0.00 66.41 66.92 2k0f h THR 30 Cb 0.86 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2k0f h THR 30 CO -0.42 0.22 -0.61 0.58 0.37 0.00 0.00 175.52 175.66 2k0f h VAL 31 N 0.52 1.30 -0.36 3.16 2.07 -1.47 -2.31 116.25 119.17 2k0f h VAL 31 Ca 0.14 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.87 2k0f h VAL 31 Cb 0.18 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2k0f h VAL 31 CO -0.01 0.58 0.14 0.24 0.02 0.00 0.00 177.57 178.53 2k0f h MET 32 N 0.48 0.29 -0.46 1.57 2.86 -1.42 -2.84 114.93 115.41 2k0f h MET 32 Ca -0.02 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 32 Cb 1.23 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.76 2k0f h MET 32 CO 0.13 0.19 0.07 -0.09 1.06 0.00 0.00 176.91 178.27 2k0f h ARG 33 N 0.30 0.19 -0.35 1.72 2.43 -0.79 0.82 114.38 118.69 2k0f h ARG 33 Ca 0.16 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2k0f h ARG 33 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2k0f h ARG 33 CO -0.15 0.12 -0.16 1.03 -1.51 0.00 0.00 179.97 179.30 2k0f h SER 34 N 0.19 0.63 0.44 -3.80 0.87 -1.20 -2.75 113.55 107.94 2k0f h SER 34 Ca 0.23 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2k0f h SER 34 Cb 0.30 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2k0f h SER 34 CO -0.32 0.81 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.51 2k0f h LEU 35 N 0.57 -0.50 0.00 2.23 3.38 -1.44 -3.48 115.31 116.07 2k0f h LEU 35 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 35 Cb 0.61 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2k0f h LEU 35 CO 0.04 -0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2k0f n GLY 36 N -0.10 -1.09 3.55 0.83 0.00 0.19 -5.11 105.19 103.45 2k0f n GLY 36 Ca -0.09 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 0.45 -0.30 1.61 2.00 -0.63 -4.94 119.66 117.85 2k0f s GLN 37 Ca 0.00 1.00 -0.11 0.00 -2.00 0.00 0.00 55.36 54.25 2k0f s GLN 37 Cb 0.00 0.47 -0.03 0.00 0.80 0.00 0.00 33.01 34.25 2k0f s GLN 37 CO 0.00 -0.13 0.19 1.21 -0.50 0.00 0.00 175.29 176.06 2k0f s ASN 38 N 2.27 5.89 0.34 6.67 2.47 -1.26 -2.35 114.94 128.97 2k0f s ASN 38 Ca -0.06 -0.26 -0.13 0.00 0.42 0.00 0.00 52.86 52.83 2k0f s ASN 38 Cb -0.07 -2.09 -0.08 0.00 -1.45 0.00 0.00 41.25 37.56 2k0f s ASN 38 CO -0.18 -0.14 0.73 -2.16 -3.72 0.00 0.00 177.10 171.63 2k0f s PRO 39 N 1.71 3.91 0.09 0.43 0.05 -1.26 -5.06 135.00 134.86 2k0f s PRO 39 Ca 0.06 0.56 -0.31 0.00 0.05 0.00 0.00 61.00 61.36 2k0f s PRO 39 Cb -0.17 -2.44 -0.07 0.00 0.05 0.00 0.00 34.50 31.88 2k0f s PRO 39 CO 0.09 0.11 1.27 0.95 0.05 0.00 0.00 177.00 179.48 2k0f s THR 40 N -2.10 3.74 0.01 1.26 -4.23 -1.26 -4.98 115.64 108.07 2k0f s THR 40 Ca 0.52 1.25 -0.23 0.00 -1.18 0.00 0.00 61.69 62.06 2k0f s THR 40 Cb -0.10 -3.80 -0.18 0.00 1.34 0.00 0.00 72.50 69.76 2k0f s THR 40 CO 0.22 0.10 1.27 -0.33 -0.54 0.00 0.00 174.62 175.35 2k0f h GLU 41 N 6.75 0.21 -0.49 3.99 5.08 -1.99 -2.59 114.58 125.54 2k0f h GLU 41 Ca -0.42 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2k0f h GLU 41 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.83 0.69 0.32 0.00 -1.00 0.00 0.00 179.01 179.84 2k0f h ALA 42 N 0.52 1.64 0.00 3.43 0.00 -1.99 -0.10 119.26 122.76 2k0f h ALA 42 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 42 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k0f h ALA 42 CO 0.03 0.33 -0.26 0.93 0.00 0.00 0.00 179.25 180.27 2k0f h GLU 43 N 0.67 0.00 0.12 0.00 5.08 -1.99 -1.17 114.58 117.28 2k0f h GLU 43 Ca 0.18 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 43 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2k0f h GLU 43 CO -0.04 0.26 -1.74 1.25 -1.00 0.00 0.00 179.01 177.74 2k0f h LEU 44 N 0.00 0.39 -1.14 1.33 5.85 -0.63 -2.98 115.31 118.13 2k0f h LEU 44 Ca -0.00 -0.66 -0.08 0.00 0.84 0.00 0.00 57.88 57.97 2k0f h LEU 44 Cb 0.59 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 44 CO 0.03 1.57 -0.38 -0.61 -0.34 0.00 0.00 178.44 178.71 2k0f h GLN 45 N 0.07 0.00 -0.27 1.25 4.15 -1.35 -2.10 115.11 116.86 2k0f h GLN 45 Ca -0.32 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 2k0f h GLN 45 Cb 2.04 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.72 2k0f h GLN 45 CO 0.13 0.38 -0.23 0.22 -1.93 0.00 0.00 178.83 177.41 2k0f h ASP 46 N 0.00 0.66 -0.70 -0.69 1.82 -1.27 -1.22 116.42 115.01 2k0f h ASP 46 Ca -0.00 -0.46 0.03 0.00 -0.39 0.00 0.00 57.03 56.21 2k0f h ASP 46 Cb 0.78 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 2k0f h ASP 46 CO 0.05 0.98 0.44 -0.03 -1.61 0.00 0.00 179.24 179.08 2k0f h MET 47 N 0.36 0.85 -0.21 0.28 4.05 -1.50 0.15 114.93 118.90 2k0f h MET 47 Ca 0.05 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 2k0f h MET 47 Cb 0.78 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2k0f h MET 47 CO 0.06 0.56 -0.25 0.82 0.23 0.00 0.00 176.91 178.32 2k0f h ILE 48 N 0.87 1.26 -0.05 1.77 1.08 -1.26 -0.04 117.51 121.15 2k0f h ILE 48 Ca 0.28 -1.23 -0.20 0.00 -0.39 0.00 0.00 64.86 63.32 2k0f h ILE 48 Cb 0.01 1.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2k0f h ILE 48 CO -0.10 0.38 -0.81 0.78 -0.69 0.00 0.00 178.15 177.71 2k0f h ASN 49 N 0.36 0.51 -0.24 1.72 2.35 -1.11 -2.60 115.58 116.57 2k0f h ASN 49 Ca 0.05 -0.36 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 2k0f h ASN 49 Cb 0.64 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.80 2k0f h ASN 49 CO 0.05 1.13 -0.45 -0.08 -1.65 0.00 0.00 177.43 176.43 2k0f h GLU 50 N 0.27 -0.37 0.00 0.81 4.81 0.44 -3.22 114.58 117.32 2k0f h GLU 50 Ca -0.05 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2k0f h GLU 50 Cb 1.41 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 2k0f h GLU 50 CO 0.14 -0.25 -0.50 -0.39 -0.73 0.00 0.00 179.01 177.28 2k0f h VAL 51 N -0.38 0.59 -1.05 0.32 -1.51 -1.16 -3.47 116.25 109.59 2k0f h VAL 51 Ca 0.04 -1.86 -0.78 0.00 -1.23 0.00 0.00 66.70 62.87 2k0f h VAL 51 Cb 0.51 2.24 0.05 0.00 -2.13 0.00 0.00 31.29 31.96 2k0f h VAL 51 CO -0.43 0.34 0.11 -0.67 -1.23 0.00 0.00 177.57 175.69 2k0f n ASP 52 N -3.14 0.16 0.00 4.19 2.03 -0.98 -4.97 116.55 113.84 2k0f n ASP 52 Ca 0.01 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2k0f n ASP 52 Cb 0.69 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 1.67 0.00 -0.43 -1.67 0.00 -1.26 -4.65 120.51 114.17 2k0f n ALA 53 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k0f n ALA 53 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.37 0.00 0.00 0.00 5.68 -1.26 -4.95 116.55 113.65 2k0f n ASP 54 Ca 0.00 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2k0f n ASP 54 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.60 0.00 0.25 6.12 0.00 -1.26 -5.05 105.19 104.65 2k0f n GLY 55 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.61 1.61 7.08 -1.94 -3.47 115.58 118.25 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 0.08 0.00 0.61 -2.08 0.00 0.00 177.43 176.04 2k0f n GLY 57 N 0.24 0.73 3.51 9.14 0.00 -1.26 -5.08 105.19 112.47 2k0f n GLY 57 Ca 0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.61 0.00 -0.30 2.61 -4.23 -1.26 -4.57 115.64 105.28 2k0f s THR 58 Ca 0.00 -0.04 -0.29 0.00 -1.18 0.00 0.00 61.69 60.18 2k0f s THR 58 Cb 0.00 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.94 2k0f s THR 58 CO 0.00 -0.02 1.32 -0.63 -0.54 0.00 0.00 174.62 174.75 2k0f s ILE 59 N -0.26 4.11 0.61 2.99 1.01 -0.90 -4.81 121.20 123.95 2k0f s ILE 59 Ca -0.04 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.81 2k0f s ILE 59 Cb -0.03 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.43 2k0f s ILE 59 CO 0.04 -0.48 0.84 0.47 0.00 0.00 0.00 174.94 175.80 2k0f n ASP 60 N 7.71 0.62 -0.05 3.58 9.92 -1.26 -1.45 116.55 135.61 2k0f n ASP 60 Ca 0.15 -1.64 -0.02 0.00 -0.53 0.00 0.00 54.79 52.75 2k0f n ASP 60 Cb 0.47 -0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 40.35 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N -0.96 0.00 0.00 1.24 3.57 -1.97 -0.32 116.94 118.50 2k0f h PHE 61 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2k0f h PHE 61 Cb 0.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.63 2k0f h PHE 61 CO 0.00 0.10 0.00 -0.35 -2.23 0.00 0.00 178.31 175.83 2k0f n PRO 62 N -4.76 0.06 -0.04 6.41 -0.04 -1.26 -3.39 135.00 131.99 2k0f n PRO 62 Ca -0.01 0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2k0f n PRO 62 Cb 0.06 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2k0f n PRO 62 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k0f h GLU 63 N 0.00 -0.02 -0.59 0.54 4.81 -1.92 -3.34 114.58 114.05 2k0f h GLU 63 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 63 Cb 0.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2k0f h GLU 63 CO 0.00 -0.01 0.40 0.35 -0.73 0.00 0.00 179.01 179.01 2k0f h PHE 64 N -0.97 0.54 -0.19 0.92 3.57 -1.13 -1.90 116.94 117.78 2k0f h PHE 64 Ca -0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k0f h PHE 64 Cb 0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2k0f h PHE 64 CO 0.00 0.28 0.11 1.25 -2.23 0.00 0.00 178.31 177.73 2k0f h LEU 65 N 0.53 0.24 -1.19 0.59 5.85 -1.73 -1.13 115.31 118.47 2k0f h LEU 65 Ca 0.26 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 2k0f h LEU 65 Cb 0.34 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2k0f h LEU 65 CO -0.08 0.23 -0.39 0.74 -0.34 0.00 0.00 178.44 178.61 2k0f h THR 66 N 0.22 1.19 -0.45 1.05 2.02 -1.56 0.96 112.91 116.35 2k0f h THR 66 Ca 0.07 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2k0f h THR 66 Cb 0.04 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2k0f h THR 66 CO -0.01 0.38 0.29 -0.03 0.37 0.00 0.00 175.52 176.52 2k0f h MET 67 N 0.00 0.59 0.00 6.66 1.85 -0.92 0.33 114.93 123.44 2k0f h MET 67 Ca -0.00 -0.04 -0.08 0.00 -0.61 0.00 0.00 59.70 58.97 2k0f h MET 67 Cb 0.73 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 2k0f h MET 67 CO 0.05 0.41 -0.36 0.52 -0.40 0.00 0.00 176.91 177.13 2k0f h MET 68 N 0.60 0.00 0.00 0.39 2.07 -0.90 -3.37 114.93 113.72 2k0f h MET 68 Ca 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 2k0f h MET 68 Cb -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 2k0f h MET 68 CO -0.03 0.36 -1.59 0.00 1.07 0.00 0.00 176.91 176.72 2k0f n ALA 69 N -2.20 3.51 -0.89 6.32 0.00 0.31 -4.90 120.51 122.66 2k0f n ALA 69 Ca 0.02 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.60 2k0f n ALA 69 Cb 0.64 -0.77 0.14 0.00 0.00 0.00 0.00 19.45 19.46 2k0f n ALA 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k0f n ARG 70 N -1.99 -0.15 -3.28 0.00 1.85 0.11 -5.00 116.66 108.20 2k0f n ARG 70 Ca -0.01 0.03 -0.38 0.00 -1.00 0.00 0.00 57.85 56.48 2k0f n ARG 70 Cb 0.48 -2.32 -0.06 0.00 -1.05 0.00 0.00 32.46 29.51 2k0f n ARG 70 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2k0f s LYS 71 N -4.24 4.25 0.58 2.89 2.20 -1.26 -5.00 119.74 119.16 2k0f s LYS 71 Ca 0.68 0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 56.91 2k0f s LYS 71 Cb -0.26 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2k0f s LYS 71 CO 0.56 0.39 0.82 -1.64 -0.36 0.00 0.00 175.35 175.12 2k0f s MET 72 N -0.20 2.50 0.40 4.03 -1.94 -1.26 -5.11 119.30 117.71 2k0f s MET 72 Ca 0.29 -0.66 -0.24 0.00 -1.71 0.00 0.00 55.69 53.37 2k0f s MET 72 Cb -0.17 -2.43 -0.09 0.00 2.01 0.00 0.00 34.83 34.15 2k0f s MET 72 CO 0.15 -0.80 1.01 0.15 -0.01 0.00 0.00 175.02 175.53 2k0f s LYS 73 N -4.85 4.23 0.00 2.03 1.02 -1.26 -4.92 119.74 115.99 2k0f s LYS 73 Ca 0.57 1.40 0.29 0.00 0.02 0.00 0.00 55.97 58.26 2k0f s LYS 73 Cb -0.10 -2.50 1.76 0.00 -0.52 0.00 0.00 37.83 36.47 2k0f s LYS 73 CO 0.40 -0.06 2.10 -0.25 -0.92 0.00 0.00 175.35 176.61 2k0f n ASP 74 N -0.11 0.00 -0.04 2.83 8.00 -1.26 -1.58 116.55 124.39 2k0f n ASP 74 Ca 0.05 -0.93 -0.18 0.00 0.71 0.00 0.00 54.79 54.44 2k0f n ASP 74 Cb 0.51 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 1.43 0.00 -3.53 1.35 -2.03 -3.40 112.91 106.73 2k0f h THR 75 Ca 0.00 -2.36 -0.06 0.00 -0.55 0.00 0.00 66.41 63.43 2k0f h THR 75 Cb 0.00 3.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 2k0f h THR 75 CO 0.00 0.59 -0.30 0.44 -0.25 0.00 0.00 175.52 176.00 2k0f h ASP 76 N -0.75 0.00 -0.01 5.36 3.32 -1.69 -3.25 116.42 119.40 2k0f h ASP 76 Ca -0.15 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2k0f h ASP 76 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2k0f h ASP 76 CO -0.00 0.30 -0.21 0.77 -1.72 0.00 0.00 179.24 178.38 2k0f h SER 77 N 0.00 0.38 1.09 6.45 4.64 -1.70 -2.52 113.55 121.89 2k0f h SER 77 Ca -0.00 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 2k0f h SER 77 Cb 0.65 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2k0f h SER 77 CO 0.04 0.60 -0.95 -0.33 -0.87 0.00 0.00 176.83 175.32 2k0f h GLU 78 N 0.35 0.00 -0.51 4.77 5.08 -1.81 -2.24 114.58 120.21 2k0f h GLU 78 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 78 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2k0f h GLU 78 CO 0.04 0.61 0.33 0.93 -1.00 0.00 0.00 179.01 179.91 2k0f h GLU 79 N 0.00 0.69 -0.45 2.33 4.39 -1.62 -0.01 114.58 119.91 2k0f h GLU 79 Ca -0.07 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 2k0f h GLU 79 Cb 1.60 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.09 2k0f h GLU 79 CO 0.08 0.48 -0.17 1.49 -1.16 0.00 0.00 179.01 179.72 2k0f h GLU 80 N 0.69 0.88 0.04 2.33 4.81 -1.48 -0.87 114.58 120.98 2k0f h GLU 80 Ca 0.19 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2k0f h GLU 80 Cb -0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2k0f h GLU 80 CO -0.04 0.98 -0.08 0.82 -0.73 0.00 0.00 179.01 179.96 2k0f h ILE 81 N 0.77 0.81 -0.36 2.32 2.04 -0.77 -2.44 117.51 119.88 2k0f h ILE 81 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2k0f h ILE 81 Cb 0.71 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2k0f h ILE 81 CO 0.05 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.33 2k0f h ARG 82 N -0.15 0.57 -0.85 2.37 3.08 -0.77 -0.75 114.38 117.87 2k0f h ARG 82 Ca 0.02 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2k0f h ARG 82 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2k0f h ARG 82 CO -0.05 0.61 0.56 0.93 -1.07 0.00 0.00 179.97 180.95 2k0f h GLU 83 N 0.43 1.11 -0.34 0.04 4.39 -1.24 -2.14 114.58 116.83 2k0f h GLU 83 Ca 0.11 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.29 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k0f h GLU 83 CO 0.00 0.74 0.01 0.00 -1.16 0.00 0.00 179.01 178.59 2k0f h ALA 84 N 1.31 1.39 -0.59 3.43 0.00 -1.12 -1.95 119.26 121.74 2k0f h ALA 84 Ca 0.31 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2k0f h ALA 84 Cb -0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.44 2k0f h ALA 84 CO -0.07 0.43 0.17 0.35 0.00 0.00 0.00 179.25 180.13 2k0f h PHE 85 N 0.50 0.28 0.00 0.00 3.57 -0.80 -1.92 116.94 118.57 2k0f h PHE 85 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 85 Cb 0.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2k0f h PHE 85 CO 0.01 0.03 0.00 -0.09 -2.23 0.00 0.00 178.31 176.03 2k0f h ARG 86 N 0.32 0.00 -0.03 1.11 2.43 -0.70 -1.86 114.38 115.65 2k0f h ARG 86 Ca 0.30 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 86 Cb 0.42 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k0f h ARG 86 CO -0.35 0.00 -0.62 0.28 -1.51 0.00 0.00 179.97 177.77 2k0f h VAL 87 N 0.00 1.39 0.05 0.20 2.07 -1.21 -3.32 116.25 115.44 2k0f h VAL 87 Ca 0.00 -2.02 -0.25 0.00 0.82 0.00 0.00 66.70 65.25 2k0f h VAL 87 Cb 0.31 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2k0f h VAL 87 CO 0.00 0.60 -1.06 -0.26 0.02 0.00 0.00 177.57 176.86 2k0f h PHE 88 N 0.01 0.59 -3.34 1.57 -1.00 -1.38 -3.44 116.94 109.95 2k0f h PHE 88 Ca -0.07 -0.36 -0.73 0.00 2.81 0.00 0.00 57.97 59.63 2k0f h PHE 88 Cb 1.30 -0.05 -0.28 0.00 3.61 0.00 0.00 35.95 40.54 2k0f h PHE 88 CO 0.13 1.21 -0.40 0.34 -1.61 0.00 0.00 178.31 177.98 2k0f s ASP 89 N -7.13 5.76 -0.04 2.17 2.15 -0.89 -4.69 116.67 114.00 2k0f s ASP 89 Ca -0.05 -1.71 -0.20 0.00 0.43 0.00 0.00 52.55 51.02 2k0f s ASP 89 Cb 0.08 -2.03 -0.14 0.00 -0.30 0.00 0.00 42.92 40.53 2k0f s ASP 89 CO 0.88 -0.65 0.84 0.11 -0.17 0.00 0.00 175.17 176.18 2k0f h LYS 90 N 8.50 -0.30 0.17 4.34 1.79 -1.85 -3.37 116.57 125.85 2k0f h LYS 90 Ca -0.23 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 2k0f h LYS 90 Cb 1.08 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2k0f h LYS 90 CO 0.84 0.06 -0.11 0.38 -1.08 0.00 0.00 179.45 179.54 2k0f h ASP 91 N -0.92 -0.30 0.00 0.86 3.04 -1.96 -3.48 116.42 113.66 2k0f h ASP 91 Ca -0.03 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2k0f h ASP 91 Cb 0.49 0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 2k0f h ASP 91 CO 0.05 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.69 2k0f n GLY 92 N -1.14 -0.61 0.16 7.15 0.00 -1.26 -5.04 105.19 104.44 2k0f n GLY 92 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.07 -1.93 -3.47 115.58 110.72 2k0f h ASN 93 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.35 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 94 N 1.16 0.82 3.22 9.14 0.00 -1.26 -5.08 105.19 113.19 2k0f n GLY 94 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 3.04 -0.52 1.61 2.02 -1.26 -4.45 117.35 115.79 2k0f s TYR 95 Ca 0.00 -1.42 -0.28 0.00 -0.37 0.00 0.00 57.07 55.00 2k0f s TYR 95 Cb 0.00 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2k0f s TYR 95 CO 0.00 -0.69 1.37 0.42 -1.57 0.00 0.00 175.55 175.08 2k0f s ILE 96 N 1.36 3.87 0.69 2.71 1.01 -0.86 -4.88 121.20 125.10 2k0f s ILE 96 Ca 0.02 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 61.38 2k0f s ILE 96 Cb -0.16 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 37.93 2k0f s ILE 96 CO -0.04 -1.06 1.03 -0.94 0.00 0.00 0.00 174.94 173.93 2k0f s SER 97 N 4.02 5.18 0.03 3.58 1.04 -1.26 -2.41 113.70 123.86 2k0f s SER 97 Ca 0.54 0.77 -0.22 0.00 0.48 0.00 0.00 55.95 57.52 2k0f s SER 97 Cb -0.11 -1.54 -0.16 0.00 0.10 0.00 0.00 66.02 64.31 2k0f s SER 97 CO 0.28 -1.41 1.35 0.00 0.98 0.00 0.00 173.24 174.44 2k0f h ALA 98 N -0.56 0.15 -0.63 5.32 0.00 -1.93 0.31 119.26 121.92 2k0f h ALA 98 Ca -0.45 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.24 2k0f h ALA 98 Cb 1.28 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2k0f h ALA 98 CO 0.62 -0.04 -0.37 0.00 0.00 0.00 0.00 179.25 179.46 2k0f n ALA 99 N -2.38 -0.40 -0.14 0.00 0.00 -1.26 0.07 120.51 116.40 2k0f n ALA 99 Ca -0.07 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 2k0f n ALA 99 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 2k0f n ALA 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 100 N 0.00 0.73 -0.45 0.00 5.08 -1.85 -3.17 114.58 114.93 2k0f h GLU 100 Ca 0.10 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.26 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 100 CO -0.59 0.82 0.14 1.25 -1.00 0.00 0.00 179.01 179.63 2k0f h LEU 101 N 0.55 0.12 -0.67 1.33 5.85 0.15 -2.64 115.31 120.02 2k0f h LEU 101 Ca 0.11 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2k0f h LEU 101 Cb 0.51 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2k0f h LEU 101 CO 0.02 0.10 0.35 0.03 -0.34 0.00 0.00 178.44 178.61 2k0f h ARG 102 N 0.30 0.62 -0.39 1.25 3.08 -0.37 0.02 114.38 118.89 2k0f h ARG 102 Ca 0.21 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2k0f h ARG 102 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2k0f h ARG 102 CO -0.23 0.41 -0.21 1.25 -1.07 0.00 0.00 179.97 180.12 2k0f h HIS 103 N 0.64 0.96 0.56 3.04 2.76 -1.52 -3.24 115.15 118.35 2k0f h HIS 103 Ca 0.31 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2k0f h HIS 103 Cb 0.24 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 28.99 2k0f h HIS 103 CO -0.09 1.01 -0.27 0.28 -1.30 0.00 0.00 177.93 177.56 2k0f h VAL 104 N 0.64 0.43 -0.52 5.26 2.07 -1.00 -3.26 116.25 119.86 2k0f h VAL 104 Ca 0.08 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2k0f h VAL 104 Cb 0.77 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2k0f h VAL 104 CO 0.06 0.02 -0.28 0.23 0.02 0.00 0.00 177.57 177.62 2k0f n MET 105 N -5.38 -0.20 0.05 1.57 2.00 -0.07 -0.43 117.12 114.66 2k0f n MET 105 Ca -0.12 0.80 -0.09 0.00 0.00 0.00 0.00 57.70 58.28 2k0f n MET 105 Cb 0.32 -1.17 0.04 0.00 0.00 0.00 0.00 33.22 32.41 2k0f n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0f h THR 106 N 0.00 1.38 0.00 2.03 1.03 -1.62 -0.40 112.91 115.32 2k0f h THR 106 Ca 0.11 -2.09 -0.19 0.00 -0.01 0.00 0.00 66.41 64.23 2k0f h THR 106 Cb 0.24 2.07 -0.03 0.00 -1.07 0.00 0.00 68.15 69.36 2k0f h THR 106 CO -0.50 0.63 -1.01 0.78 -0.01 0.00 0.00 175.52 175.41 2k0f h ASN 107 N 0.27 0.00 0.38 0.00 2.35 -1.53 -2.63 115.58 114.42 2k0f h ASN 107 Ca -0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2k0f h ASN 107 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 2k0f h ASN 107 CO 0.12 0.84 -0.54 0.25 -1.65 0.00 0.00 177.43 176.45 2k0f h LEU 108 N 0.00 0.19 0.00 1.61 5.85 -0.59 -3.43 115.31 118.95 2k0f h LEU 108 Ca -0.06 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2k0f h LEU 108 Cb 1.69 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2k0f h LEU 108 CO 0.10 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 179.51 2k0f n GLY 109 N 0.10 1.82 3.69 3.75 0.00 -0.27 -4.99 105.19 109.29 2k0f n GLY 109 Ca -0.02 0.00 -0.29 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 -0.40 -0.05 -0.10 1.61 -6.30 -0.57 -4.99 118.70 107.91 2k0f s GLU 110 Ca 0.00 0.18 0.16 0.00 -2.50 0.00 0.00 54.97 52.81 2k0f s GLU 110 Cb 0.00 -1.71 -0.23 0.00 0.00 0.00 0.00 34.13 32.18 2k0f s GLU 110 CO 0.00 -2.98 0.39 1.17 0.02 0.00 0.00 175.26 173.87 2k0f n LYS 111 N -4.29 0.66 -0.66 4.30 4.81 -1.26 -4.89 118.16 116.83 2k0f n LYS 111 Ca 0.09 0.11 -0.29 0.00 -0.87 0.00 0.00 58.31 57.36 2k0f n LYS 111 Cb 0.59 -1.65 0.23 0.00 0.02 0.00 0.00 35.03 34.22 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2k0f s LEU 112 N -5.67 1.21 0.00 3.14 0.05 -1.26 -5.08 118.68 111.08 2k0f s LEU 112 Ca -0.07 1.56 0.00 0.00 0.05 0.00 0.00 54.13 55.67 2k0f s LEU 112 Cb 0.07 -3.58 0.00 0.00 -2.05 0.00 0.00 46.19 40.64 2k0f s LEU 112 CO 0.83 -3.90 0.00 0.35 -0.55 0.00 0.00 176.35 173.08 2k0f n THR 113 N -4.72 0.00 -0.00 5.48 -2.24 -1.26 -5.05 114.28 106.49 2k0f n THR 113 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 2k0f n THR 113 Cb 0.54 -1.70 -0.11 0.00 -2.10 0.00 0.00 70.33 66.97 2k0f n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k0f n ASP 114 N -1.90 0.59 0.04 3.42 2.03 -1.26 -4.08 116.55 115.38 2k0f n ASP 114 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2k0f n ASP 114 Cb 0.00 0.55 0.31 0.00 -0.72 0.00 0.00 41.12 41.26 2k0f n ASP 114 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k0f h GLU 115 N 0.00 0.43 0.00 -0.67 4.11 -2.03 -3.07 114.58 113.35 2k0f h GLU 115 Ca -0.22 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.09 2k0f h GLU 115 Cb 1.64 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 2k0f h GLU 115 CO 0.04 0.53 -0.05 0.93 0.07 0.00 0.00 179.01 180.52 2k0f h GLU 116 N 0.41 0.00 -0.04 1.06 5.08 -1.97 -2.95 114.58 116.17 2k0f h GLU 116 Ca 0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2k0f h GLU 116 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 116 CO 0.02 0.05 -0.74 0.28 -1.00 0.00 0.00 179.01 177.62 2k0f h VAL 117 N 0.00 1.42 -0.09 3.13 2.07 -1.71 -2.56 116.25 118.51 2k0f h VAL 117 Ca -0.00 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.26 2k0f h VAL 117 Cb 0.17 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2k0f h VAL 117 CO 0.01 0.67 0.04 0.44 0.02 0.00 0.00 177.57 178.74 2k0f h ASP 118 N 0.17 0.13 -1.00 0.57 3.32 -1.70 -2.58 116.42 115.33 2k0f h ASP 118 Ca -0.03 -0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.00 2k0f h ASP 118 Cb 1.30 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 2k0f h ASP 118 CO 0.12 0.24 0.63 -0.33 -1.72 0.00 0.00 179.24 178.17 2k0f h GLU 119 N 0.01 0.95 0.25 3.56 4.39 -1.61 -0.41 114.58 121.71 2k0f h GLU 119 Ca 0.03 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 119 Cb 0.15 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2k0f h GLU 119 CO -0.00 0.63 -0.12 1.98 -1.16 0.00 0.00 179.01 180.33 2k0f h MET 120 N 0.98 -0.32 -0.62 2.33 4.05 -1.48 -0.98 114.93 118.89 2k0f h MET 120 Ca 0.50 0.02 0.12 0.00 -0.28 0.00 0.00 59.70 60.06 2k0f h MET 120 Cb 0.52 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.30 2k0f h MET 120 CO -0.27 -0.17 0.13 0.82 0.23 0.00 0.00 176.91 177.65 2k0f h ILE 121 N -0.40 0.63 -0.47 1.77 1.08 -1.08 -3.04 117.51 116.00 2k0f h ILE 121 Ca -0.03 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.44 2k0f h ILE 121 Cb 0.30 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 34.31 2k0f h ILE 121 CO 0.06 0.05 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.45 2k0f h ARG 122 N 0.26 0.08 0.00 2.37 2.43 -0.81 -2.09 114.38 116.62 2k0f h ARG 122 Ca 0.33 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2k0f h ARG 122 Cb 0.49 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2k0f h ARG 122 CO -0.41 0.05 0.00 1.05 -1.51 0.00 0.00 179.97 179.15 2k0f h GLU 123 N 0.08 0.00 0.05 0.20 4.11 -1.07 -3.28 114.58 114.67 2k0f h GLU 123 Ca 0.24 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.34 2k0f h GLU 123 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2k0f h GLU 123 CO -0.42 0.00 -1.90 0.00 0.07 0.00 0.00 179.01 176.76 2k0f n ALA 124 N -2.02 1.25 -2.08 1.06 0.00 -0.90 -4.90 120.51 112.93 2k0f n ALA 124 Ca 0.02 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 2k0f n ALA 124 Cb 0.38 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 2k0f n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f s ASP 125 N -6.45 6.92 -0.14 0.00 2.15 -0.84 -4.80 116.67 113.50 2k0f s ASP 125 Ca -0.13 2.34 -0.09 0.00 0.43 0.00 0.00 52.55 55.10 2k0f s ASP 125 Cb 0.07 -2.60 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.79 -0.53 -0.21 -0.38 -0.17 0.00 0.00 175.17 174.67 2k0f n ILE 126 N 3.00 0.99 0.00 4.11 2.08 -1.26 -4.91 119.36 123.37 2k0f n ILE 126 Ca 0.07 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2k0f n ILE 126 Cb 0.43 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -3.79 0.00 0.00 4.38 5.68 -1.26 -4.99 116.55 116.56 2k0f n ASP 127 Ca -0.28 0.78 0.00 0.00 -0.50 0.00 0.00 54.79 54.79 2k0f n ASP 127 Cb 0.65 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N -0.01 0.00 0.18 6.12 0.00 -1.26 -5.02 105.19 105.20 2k0f n GLY 128 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.96 1.61 2.03 -1.99 -3.47 116.42 113.64 2k0f h ASP 129 Ca 0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 2k0f h ASP 129 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 2k0f h ASP 129 CO 0.00 0.40 -0.04 0.61 -1.03 0.00 0.00 179.24 179.18 2k0f n GLY 130 N 0.14 0.68 2.77 7.15 0.00 -1.26 -5.05 105.19 109.62 2k0f n GLY 130 Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.76 -0.02 -0.38 1.61 -0.21 -1.26 -4.58 119.66 110.05 2k0f s GLN 131 Ca 0.03 0.40 -0.27 0.00 0.02 0.00 0.00 55.36 55.53 2k0f s GLN 131 Cb -0.01 -0.35 0.02 0.00 1.00 0.00 0.00 33.01 33.67 2k0f s GLN 131 CO 0.03 -0.28 1.02 0.08 -2.12 0.00 0.00 175.29 174.02 2k0f s VAL 132 N 1.90 4.47 0.84 1.09 1.01 -1.01 -4.83 120.40 123.86 2k0f s VAL 132 Ca 0.00 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.25 2k0f s VAL 132 Cb -0.12 -4.42 0.17 0.00 0.00 0.00 0.00 36.38 32.01 2k0f s VAL 132 CO -0.04 -0.64 1.15 0.54 0.00 0.00 0.00 175.10 176.11 2k0f s ASN 133 N 1.96 3.68 0.14 3.32 2.20 -1.26 -2.03 114.94 122.95 2k0f s ASN 133 Ca 0.42 -0.23 -0.23 0.00 -0.94 0.00 0.00 52.86 51.89 2k0f s ASN 133 Cb -0.11 0.07 -0.01 0.00 -2.00 0.00 0.00 41.25 39.20 2k0f s ASN 133 CO 0.21 -2.33 1.65 0.22 -2.94 0.00 0.00 177.10 173.91 2k0f h TYR 134 N -1.05 -0.54 -0.66 1.54 3.20 -1.98 -0.44 116.97 117.04 2k0f h TYR 134 Ca -0.38 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.58 2k0f h TYR 134 Cb 1.24 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 39.72 2k0f h TYR 134 CO -0.72 -0.29 0.35 0.93 -1.64 0.00 0.00 178.16 176.79 2k0f h GLU 135 N -0.26 0.63 -0.47 1.82 5.08 -1.99 -3.11 114.58 116.28 2k0f h GLU 135 Ca 0.10 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2k0f h GLU 135 Cb 0.41 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 135 CO -0.29 0.41 -0.05 0.93 -1.00 0.00 0.00 179.01 179.01 2k0f h GLU 136 N 0.64 0.80 0.26 2.33 5.08 -1.76 -1.45 114.58 120.49 2k0f h GLU 136 Ca 0.30 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 136 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 136 CO -0.20 0.85 -0.13 0.35 -1.00 0.00 0.00 179.01 178.88 2k0f h PHE 137 N 0.74 -0.32 -0.39 4.33 3.57 -1.15 -3.13 116.94 120.58 2k0f h PHE 137 Ca 0.13 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2k0f h PHE 137 Cb 0.53 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2k0f h PHE 137 CO 0.03 -0.15 0.01 0.28 -2.23 0.00 0.00 178.31 176.24 2k0f h VAL 138 N -0.41 1.26 0.00 1.41 2.07 -1.47 -2.99 116.25 116.11 2k0f h VAL 138 Ca -0.04 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2k0f h VAL 138 Cb 0.31 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k0f h VAL 138 CO 0.06 0.33 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2k0f n GLN 139 N -4.47 0.05 0.12 1.57 6.02 -0.55 -1.28 117.38 118.84 2k0f n GLN 139 Ca -0.01 0.42 0.01 0.00 -0.01 0.00 0.00 57.00 57.41 2k0f n GLN 139 Cb 0.28 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2k0f n GLN 139 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2k0f h MET 140 N 0.00 0.00 0.05 -1.09 4.05 -1.46 -3.36 114.93 113.12 2k0f h MET 140 Ca 0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 2k0f h MET 140 Cb 0.14 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2k0f h MET 140 CO 0.00 0.56 -1.38 0.52 0.23 0.00 0.00 176.91 176.84 2k0f h MET 141 N 0.00 0.12 0.00 0.39 2.86 -1.28 -3.52 114.93 113.49 2k0f h MET 141 Ca -0.01 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 141 Cb 1.45 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.18 2k0f h MET 141 CO 0.07 1.09 0.00 0.25 1.06 0.00 0.00 176.91 179.39