#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 -4.01 1.09 1.02 -1.26 -4.88 120.64 112.61 2k0f n GLU 2 Ca 0.00 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 2k0f n GLU 2 Cb 0.00 -0.63 -0.16 0.00 -0.02 0.00 0.00 31.44 30.63 2k0f n GLU 2 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k0f s GLU 3 N -0.26 2.23 0.22 3.49 2.56 -1.26 -5.05 118.70 120.63 2k0f s GLU 3 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 54.97 54.44 2k0f s GLU 3 Cb 0.00 -2.08 0.20 0.00 2.00 0.00 0.00 34.13 34.25 2k0f s GLU 3 CO 0.00 -0.25 1.53 0.37 -0.56 0.00 0.00 175.26 176.36 2k0f h GLN 4 N 8.06 0.34 -0.19 4.30 5.75 -1.99 -1.86 115.11 129.52 2k0f h GLN 4 Ca -0.37 -0.23 -0.16 0.00 -0.15 0.00 0.00 58.65 57.73 2k0f h GLN 4 Cb 1.13 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 2k0f h GLN 4 CO 0.52 0.84 -0.55 0.82 -2.65 0.00 0.00 178.83 177.81 2k0f h ILE 5 N 0.26 1.32 -0.12 2.39 1.08 -2.00 -2.57 117.51 117.86 2k0f h ILE 5 Ca -0.00 -1.80 -0.11 0.00 -0.39 0.00 0.00 64.86 62.56 2k0f h ILE 5 Cb 1.12 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 2k0f h ILE 5 CO 0.10 0.56 -0.42 0.00 -0.69 0.00 0.00 178.15 177.70 2k0f h ALA 6 N 0.95 1.06 -0.58 1.87 0.00 -1.98 -2.71 119.26 117.87 2k0f h ALA 6 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2k0f h ALA 6 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 6 CO 0.10 0.60 0.06 1.49 0.00 0.00 0.00 179.25 181.50 2k0f h GLU 7 N 0.23 0.99 0.28 0.00 4.81 -0.95 -2.31 114.58 117.63 2k0f h GLU 7 Ca 0.02 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2k0f h GLU 7 Cb 0.84 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2k0f h GLU 7 CO 0.07 0.96 -0.14 0.74 -0.73 0.00 0.00 179.01 179.91 2k0f h PHE 8 N 0.88 -0.35 -0.93 0.92 0.04 -1.49 -3.01 116.94 113.00 2k0f h PHE 8 Ca 0.17 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.00 2k0f h PHE 8 Cb 0.47 0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.67 2k0f h PHE 8 CO 0.03 -0.20 0.59 -0.22 -0.60 0.00 0.00 178.31 177.91 2k0f h LYS 9 N -0.41 1.03 -0.57 1.51 3.64 -1.48 -1.18 116.57 119.12 2k0f h LYS 9 Ca -0.04 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.37 2k0f h LYS 9 Cb 0.31 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2k0f h LYS 9 CO 0.06 0.68 0.16 0.93 -2.27 0.00 0.00 179.45 179.01 2k0f h GLU 10 N 1.06 0.30 -0.49 1.90 4.39 -1.41 0.12 114.58 120.46 2k0f h GLU 10 Ca 0.41 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.98 2k0f h GLU 10 Cb 0.20 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2k0f h GLU 10 CO -0.18 0.20 -0.12 0.00 -1.16 0.00 0.00 179.01 177.75 2k0f h ALA 11 N 1.42 0.87 -1.01 3.43 0.00 -1.29 -2.77 119.26 119.91 2k0f h ALA 11 Ca 0.29 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 11 Cb 0.39 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 11 CO -0.33 0.64 0.64 0.35 0.00 0.00 0.00 179.25 180.54 2k0f h PHE 12 N 0.81 1.16 -0.25 0.00 3.57 -0.58 -2.71 116.94 118.92 2k0f h PHE 12 Ca 0.13 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 12 Cb 0.65 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2k0f h PHE 12 CO 0.04 0.48 -0.37 0.77 -2.23 0.00 0.00 178.31 177.00 2k0f h SER 13 N 1.03 0.60 -0.09 0.41 0.02 -0.75 -2.93 113.55 111.83 2k0f h SER 13 Ca 0.49 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 13 Cb 0.44 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k0f h SER 13 CO -0.25 0.91 -0.10 0.25 -1.14 0.00 0.00 176.83 176.50 2k0f h LEU 14 N 0.48 0.25 -1.73 5.07 5.85 -1.34 -3.02 115.31 120.87 2k0f h LEU 14 Ca 0.05 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.39 2k0f h LEU 14 Cb 0.86 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 14 CO 0.07 0.69 0.40 -0.26 -0.34 0.00 0.00 178.44 179.00 2k0f h PHE 15 N -0.19 0.32 -2.90 1.25 0.04 -1.57 -3.44 116.94 110.44 2k0f h PHE 15 Ca 0.01 0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.23 2k0f h PHE 15 Cb 0.62 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 2k0f h PHE 15 CO 0.09 0.14 0.92 0.34 -0.60 0.00 0.00 178.31 179.21 2k0f s ASP 16 N -6.23 6.90 0.39 2.17 -1.08 -1.11 -4.58 116.67 113.13 2k0f s ASP 16 Ca -0.07 1.70 0.23 0.00 -0.52 0.00 0.00 52.55 53.89 2k0f s ASP 16 Cb 0.20 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.44 2k0f s ASP 16 CO 0.74 -0.80 1.53 0.11 0.52 0.00 0.00 175.17 177.28 2k0f h LYS 17 N 8.38 0.00 0.00 4.34 1.79 -1.85 -3.38 116.57 125.86 2k0f h LYS 17 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2k0f h LYS 17 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2k0f h LYS 17 CO 0.97 0.00 -0.20 -0.25 -1.08 0.00 0.00 179.45 178.89 2k0f n ASP 18 N -2.97 0.50 -0.16 0.86 8.00 -1.26 -5.05 116.55 116.46 2k0f n ASP 18 Ca 0.03 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2k0f n ASP 18 Cb 0.53 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0f n GLY 19 N 1.60 0.87 0.01 0.44 0.00 -1.26 -5.08 105.19 101.78 2k0f n GLY 19 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 0.24 0.29 0.00 1.61 5.68 -1.26 -5.07 116.55 118.04 2k0f n ASP 20 Ca 0.00 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k0f n ASP 20 Cb 0.13 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.65 0.00 2.93 6.12 0.00 -1.26 -5.14 105.19 109.49 2k0f n GLY 21 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.00 -0.34 2.61 -4.23 -1.26 -4.49 115.64 107.93 2k0f s THR 22 Ca 0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 2k0f s THR 22 Cb 0.00 -0.10 -0.01 0.00 1.34 0.00 0.00 72.50 73.73 2k0f s THR 22 CO 0.00 0.01 0.22 -0.63 -0.54 0.00 0.00 174.62 173.67 2k0f s ILE 23 N 0.10 5.06 0.78 2.99 1.01 -0.73 -5.00 121.20 125.41 2k0f s ILE 23 Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2k0f s ILE 23 Cb -0.01 -3.61 0.15 0.00 0.01 0.00 0.00 42.46 39.00 2k0f s ILE 23 CO -0.00 -0.01 1.07 0.42 0.00 0.00 0.00 174.94 176.42 2k0f s THR 24 N 1.68 2.07 0.21 2.92 -4.23 -1.26 -3.29 115.64 113.74 2k0f s THR 24 Ca 0.05 -0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2k0f s THR 24 Cb -0.17 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2k0f s THR 24 CO 0.09 0.00 1.61 0.71 -0.54 0.00 0.00 174.62 176.49 2k0f h THR 25 N -0.78 1.28 -0.64 3.99 1.35 -1.94 -2.96 112.91 113.21 2k0f h THR 25 Ca -0.37 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.03 2k0f h THR 25 Cb 1.26 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 2k0f h THR 25 CO 0.38 0.47 0.28 0.07 -0.25 0.00 0.00 175.52 176.47 2k0f h LYS 26 N 0.61 0.92 0.02 4.72 2.10 -1.97 0.35 116.57 123.32 2k0f h LYS 26 Ca 0.07 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2k0f h LYS 26 Cb 0.81 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2k0f h LYS 26 CO 0.07 0.74 -0.01 0.93 -2.00 0.00 0.00 179.45 179.17 2k0f h GLU 27 N 0.91 -0.03 -0.56 0.07 5.08 -1.88 0.60 114.58 118.78 2k0f h GLU 27 Ca 0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2k0f h GLU 27 Cb 0.14 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 27 CO -0.02 0.17 0.09 -0.07 -1.00 0.00 0.00 179.01 178.17 2k0f h LEU 28 N -0.22 0.88 0.06 1.33 3.38 -1.48 -2.95 115.31 116.31 2k0f h LEU 28 Ca -0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2k0f h LEU 28 Cb 0.21 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2k0f h LEU 28 CO 0.01 0.92 -0.03 1.23 0.09 0.00 0.00 178.44 180.66 2k0f h GLY 29 N 0.81 -0.09 -0.44 0.83 0.00 -0.25 0.94 103.07 104.88 2k0f h GLY 29 Ca 0.17 0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.72 2k0f h GLY 29 CO 0.01 -0.03 0.01 -0.84 0.00 0.00 0.00 176.54 175.69 2k0f h THR 30 N -0.38 0.30 0.29 4.70 2.02 -0.77 0.42 112.91 119.49 2k0f h THR 30 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2k0f h THR 30 Cb 0.33 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2k0f h THR 30 CO 0.01 0.02 -0.29 0.58 0.37 0.00 0.00 175.52 176.21 2k0f h VAL 31 N 0.09 0.00 -0.61 3.16 2.07 -1.54 -2.91 116.25 116.52 2k0f h VAL 31 Ca 0.44 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.04 2k0f h VAL 31 Cb 0.79 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2k0f h VAL 31 CO -0.70 0.00 0.27 -0.03 0.02 0.00 0.00 177.57 177.12 2k0f h MET 32 N -0.58 0.47 -0.01 1.57 -1.53 0.48 0.07 114.93 115.39 2k0f h MET 32 Ca -0.04 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 2k0f h MET 32 Cb 0.51 -0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 31.45 2k0f h MET 32 CO -0.04 0.31 0.01 0.00 0.14 0.00 0.00 176.91 177.33 2k0f h ARG 33 N 0.48 0.01 0.07 0.39 3.08 -0.23 -1.85 114.38 116.34 2k0f h ARG 33 Ca 0.29 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.10 2k0f h ARG 33 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2k0f h ARG 33 CO -0.26 0.01 -1.09 0.77 -1.07 0.00 0.00 179.97 178.33 2k0f h SER 34 N 0.01 0.31 0.39 7.04 0.02 -0.79 -3.36 113.55 117.17 2k0f h SER 34 Ca 0.01 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2k0f h SER 34 Cb 0.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2k0f h SER 34 CO -0.00 1.20 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.63 2k0f h LEU 35 N 0.08 -0.44 0.00 5.07 3.38 -1.31 -3.49 115.31 118.59 2k0f h LEU 35 Ca -0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k0f h LEU 35 Cb 1.80 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2k0f h LEU 35 CO 0.17 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.10 2k0f n GLY 36 N -0.22 1.18 3.78 0.83 0.00 -0.70 -4.98 105.19 105.07 2k0f n GLY 36 Ca -0.06 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.64 2.36 -0.40 1.61 -0.21 -1.23 -4.87 119.66 117.56 2k0f s GLN 37 Ca 0.00 -1.68 0.03 0.00 0.02 0.00 0.00 55.36 53.73 2k0f s GLN 37 Cb 0.00 -2.15 0.11 0.00 1.00 0.00 0.00 33.01 31.97 2k0f s GLN 37 CO 0.00 -0.09 0.13 -0.80 -2.12 0.00 0.00 175.29 172.41 2k0f s ASN 38 N -3.96 4.75 1.01 5.90 0.01 -1.26 -3.40 114.94 117.99 2k0f s ASN 38 Ca 0.42 -2.35 -0.14 0.00 -0.71 0.00 0.00 52.86 50.08 2k0f s ASN 38 Cb 0.00 -1.66 0.19 0.00 0.41 0.00 0.00 41.25 40.19 2k0f s ASN 38 CO 0.24 -0.37 1.08 -0.81 -1.51 0.00 0.00 177.10 175.74 2k0f n PRO 39 N 4.02 -1.19 -3.00 -0.60 -0.04 -1.26 -5.08 135.00 127.85 2k0f n PRO 39 Ca 0.04 -1.68 -0.23 0.00 -0.04 0.00 0.00 63.50 61.59 2k0f n PRO 39 Cb 0.40 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -3.35 4.07 0.00 0.52 -4.23 -1.26 -4.97 115.64 106.43 2k0f s THR 40 Ca 0.62 -0.48 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 2k0f s THR 40 Cb -0.02 -3.50 0.17 0.00 1.34 0.00 0.00 72.50 70.49 2k0f s THR 40 CO 0.44 -0.36 1.67 -0.33 -0.54 0.00 0.00 174.62 175.50 2k0f h GLU 41 N 0.41 0.00 -0.14 3.99 5.08 -1.98 0.18 114.58 122.12 2k0f h GLU 41 Ca -0.46 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2k0f h GLU 41 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2k0f h GLU 41 CO 0.58 0.33 -0.06 0.00 -1.00 0.00 0.00 179.01 178.85 2k0f h ALA 42 N 1.67 0.06 -0.28 3.43 0.00 -1.99 0.79 119.26 122.95 2k0f h ALA 42 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 42 Cb 1.00 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2k0f h ALA 42 CO 0.04 -0.51 -0.03 0.93 0.00 0.00 0.00 179.25 179.68 2k0f h GLU 43 N -0.05 0.43 -0.37 0.00 5.08 -1.89 -3.14 114.58 114.64 2k0f h GLU 43 Ca 0.08 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 43 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 43 CO -0.17 0.48 -0.29 1.25 -1.00 0.00 0.00 179.01 179.28 2k0f h LEU 44 N 0.41 0.88 -0.54 1.33 6.46 -0.30 -2.91 115.31 120.64 2k0f h LEU 44 Ca 0.09 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2k0f h LEU 44 Cb 0.32 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 2k0f h LEU 44 CO 0.01 1.14 0.00 -0.61 -0.62 0.00 0.00 178.44 178.37 2k0f h GLN 45 N 0.64 0.00 0.03 1.25 4.15 -0.89 -2.84 115.11 117.45 2k0f h GLN 45 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 45 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2k0f h GLN 45 CO 0.08 0.00 -0.31 0.22 -1.93 0.00 0.00 178.83 176.89 2k0f h ASP 46 N 0.00 0.11 -0.78 -0.69 3.58 -1.48 -0.57 116.42 116.59 2k0f h ASP 46 Ca 0.00 -0.95 0.15 0.00 0.42 0.00 0.00 57.03 56.65 2k0f h ASP 46 Cb 0.52 -0.04 -0.15 0.00 1.72 0.00 0.00 39.33 41.39 2k0f h ASP 46 CO 0.00 1.14 -0.25 0.24 -2.88 0.00 0.00 179.24 177.49 2k0f h MET 47 N -0.85 -0.03 -0.28 0.28 2.86 -1.48 -1.74 114.93 113.69 2k0f h MET 47 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2k0f h MET 47 Cb 1.18 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2k0f h MET 47 CO 0.02 -0.02 0.12 0.82 1.06 0.00 0.00 176.91 178.91 2k0f h ILE 48 N -0.03 1.16 -1.08 -1.22 2.04 -1.44 -2.77 117.51 114.16 2k0f h ILE 48 Ca 0.35 -0.48 0.33 0.00 1.00 0.00 0.00 64.86 66.06 2k0f h ILE 48 Cb 0.58 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 37.50 2k0f h ILE 48 CO -0.81 0.17 0.66 -1.13 0.00 0.00 0.00 178.15 177.03 2k0f h ASN 49 N 0.31 0.45 -0.35 1.72 -1.24 -0.62 -0.36 115.58 115.49 2k0f h ASN 49 Ca 0.09 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 2k0f h ASN 49 Cb 0.15 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.28 2k0f h ASN 49 CO -0.01 -0.07 0.19 -0.08 -1.29 0.00 0.00 177.43 176.17 2k0f h GLU 50 N 0.31 0.48 0.00 6.67 4.81 -1.03 -3.19 114.58 122.63 2k0f h GLU 50 Ca 0.71 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.85 2k0f h GLU 50 Cb 1.80 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.08 2k0f h GLU 50 CO -0.48 0.40 -0.31 -0.39 -0.73 0.00 0.00 179.01 177.50 2k0f h VAL 51 N 0.44 0.32 -2.56 0.32 -1.51 -1.30 -3.46 116.25 108.49 2k0f h VAL 51 Ca 0.12 -1.46 -0.52 0.00 -1.23 0.00 0.00 66.70 63.61 2k0f h VAL 51 Cb 0.05 2.11 0.04 0.00 -2.13 0.00 0.00 31.29 31.36 2k0f h VAL 51 CO -0.02 0.18 1.09 -0.62 -1.23 0.00 0.00 177.57 176.97 2k0f s ASP 52 N -6.21 6.42 -0.20 4.19 2.15 -0.27 -4.81 116.67 117.94 2k0f s ASP 52 Ca 0.05 2.77 -0.08 0.00 0.43 0.00 0.00 52.55 55.73 2k0f s ASP 52 Cb 0.06 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 52 CO 0.71 -1.00 -0.24 0.00 -0.17 0.00 0.00 175.17 174.47 2k0f n ALA 53 N 5.37 1.68 -0.66 3.66 0.00 -1.26 -4.86 120.51 124.44 2k0f n ALA 53 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2k0f n ALA 53 Cb 0.38 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.74 0.00 0.00 0.00 5.68 -1.26 -5.02 116.55 112.21 2k0f n ASP 54 Ca -0.38 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 2k0f n ASP 54 Cb 0.80 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.61 -0.48 0.17 6.12 0.00 -1.26 -5.05 105.19 104.08 2k0f n GLY 55 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.76 0.00 1.61 7.08 -1.98 -3.49 115.58 119.57 2k0f h ASN 56 Ca 0.00 -0.78 0.00 0.00 -3.08 0.00 0.00 56.30 52.44 2k0f h ASN 56 Cb 0.00 -0.24 0.00 0.00 -2.08 0.00 0.00 38.32 36.00 2k0f h ASN 56 CO 0.00 1.45 0.00 0.61 -2.08 0.00 0.00 177.43 177.41 2k0f n GLY 57 N 1.20 0.70 3.79 9.14 0.00 -1.26 -5.09 105.19 113.66 2k0f n GLY 57 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 4.43 -0.13 2.61 -4.23 -1.26 -4.50 115.64 110.55 2k0f s THR 58 Ca 0.00 -1.09 -0.25 0.00 -1.18 0.00 0.00 61.69 59.16 2k0f s THR 58 Cb 0.00 -3.25 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2k0f s THR 58 CO 0.00 -0.10 0.82 -0.51 -0.54 0.00 0.00 174.62 174.30 2k0f s ILE 59 N -1.73 4.91 0.19 2.99 2.07 -1.21 -4.83 121.20 123.59 2k0f s ILE 59 Ca 0.31 1.65 0.01 0.00 -1.41 0.00 0.00 60.65 61.20 2k0f s ILE 59 Cb -0.10 -4.14 -0.04 0.00 0.13 0.00 0.00 42.46 38.31 2k0f s ILE 59 CO 0.23 0.09 0.35 -1.81 -1.91 0.00 0.00 174.94 171.89 2k0f s ASP 60 N 1.07 6.36 0.28 4.50 1.11 -1.26 -1.77 116.67 126.96 2k0f s ASP 60 Ca 0.40 0.28 0.01 0.00 0.18 0.00 0.00 52.55 53.43 2k0f s ASP 60 Cb -0.17 -1.96 0.56 0.00 1.07 0.00 0.00 42.92 42.42 2k0f s ASP 60 CO 0.15 -0.02 1.83 0.15 1.18 0.00 0.00 175.17 178.46 2k0f h PHE 61 N 1.95 1.12 0.00 4.23 3.57 -1.96 -0.19 116.94 125.66 2k0f h PHE 61 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2k0f h PHE 61 Cb 1.20 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2k0f h PHE 61 CO 0.54 0.42 0.00 -0.35 -2.23 0.00 0.00 178.31 176.69 2k0f n PRO 62 N -4.64 0.11 -0.13 6.41 -0.04 -1.26 -1.35 135.00 134.10 2k0f n PRO 62 Ca 0.19 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.64 2k0f n PRO 62 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N -1.37 0.60 -0.32 0.54 1.02 -0.13 -3.43 120.64 117.55 2k0f n GLU 63 Ca 0.05 0.19 0.14 0.00 -0.02 0.00 0.00 57.16 57.52 2k0f n GLU 63 Cb 0.12 -1.48 0.29 0.00 -0.02 0.00 0.00 31.44 30.35 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N -0.42 0.07 -0.56 -0.32 3.57 -1.37 -0.42 116.94 117.49 2k0f h PHE 64 Ca -0.62 0.06 0.04 0.00 3.53 0.00 0.00 57.97 60.99 2k0f h PHE 64 Cb 1.75 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.58 2k0f h PHE 64 CO -0.02 -0.37 0.37 1.25 -2.23 0.00 0.00 178.31 177.30 2k0f h LEU 65 N 0.05 0.52 0.32 0.59 5.85 -1.38 -1.00 115.31 120.27 2k0f h LEU 65 Ca 0.58 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.28 2k0f h LEU 65 Cb 1.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k0f h LEU 65 CO -0.84 0.35 -0.16 0.74 -0.34 0.00 0.00 178.44 178.20 2k0f h THR 66 N 0.60 0.70 -0.67 1.05 2.02 -1.11 0.11 112.91 115.61 2k0f h THR 66 Ca 0.23 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2k0f h THR 66 Cb 0.17 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2k0f h THR 66 CO -0.06 0.03 0.09 -0.03 0.37 0.00 0.00 175.52 175.92 2k0f h MET 67 N -0.51 1.11 0.00 6.66 1.85 -1.20 -2.56 114.93 120.28 2k0f h MET 67 Ca -0.04 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 2k0f h MET 67 Cb 0.38 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.28 2k0f h MET 67 CO 0.07 1.02 -1.41 -1.33 -0.40 0.00 0.00 176.91 174.86 2k0f n MET 68 N -4.21 0.61 0.00 0.39 2.81 -0.40 -3.96 117.12 112.36 2k0f n MET 68 Ca 0.04 -0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 2k0f n MET 68 Cb 0.30 -1.69 0.25 0.00 -0.71 0.00 0.00 33.22 31.38 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -2.19 3.31 -2.71 3.04 0.00 0.39 -4.75 120.51 117.59 2k0f n ALA 69 Ca -0.02 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 2k0f n ALA 69 Cb 0.55 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -2.56 4.53 -0.06 0.00 0.52 -0.97 -5.05 118.95 115.36 2k0f s ARG 70 Ca 0.21 1.32 -0.06 0.00 -0.52 0.00 0.00 55.73 56.67 2k0f s ARG 70 Cb 0.19 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2k0f s ARG 70 CO 0.56 -0.04 0.19 0.21 0.02 0.00 0.00 175.30 176.24 2k0f s LYS 71 N 1.03 3.50 0.33 3.54 2.20 -1.26 -4.95 119.74 124.12 2k0f s LYS 71 Ca 0.49 -0.12 0.07 0.00 -0.36 0.00 0.00 55.97 56.04 2k0f s LYS 71 Cb -0.20 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2k0f s LYS 71 CO 0.26 0.73 0.44 -1.64 -0.36 0.00 0.00 175.35 174.77 2k0f s MET 72 N -1.37 3.10 1.03 4.03 -1.94 -1.26 -5.12 119.30 117.76 2k0f s MET 72 Ca 0.21 -1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 2k0f s MET 72 Cb -0.13 -2.78 0.21 0.00 2.01 0.00 0.00 34.83 34.14 2k0f s MET 72 CO 0.10 0.10 1.08 0.15 -0.01 0.00 0.00 175.02 176.44 2k0f s LYS 73 N -4.13 0.18 0.15 2.03 1.02 -1.26 -4.89 119.74 112.84 2k0f s LYS 73 Ca 0.43 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 2k0f s LYS 73 Cb -0.09 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2k0f s LYS 73 CO 0.30 -2.94 1.36 -0.44 -0.92 0.00 0.00 175.35 172.72 2k0f h ASP 74 N -2.05 0.47 -0.72 2.83 3.32 -2.00 -2.57 116.42 115.71 2k0f h ASP 74 Ca -0.55 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.12 2k0f h ASP 74 Cb 1.32 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2k0f h ASP 74 CO 0.55 1.13 0.35 0.71 -1.72 0.00 0.00 179.24 180.26 2k0f h THR 75 N 0.23 1.23 -0.25 0.35 1.35 -1.98 -0.62 112.91 113.22 2k0f h THR 75 Ca -0.06 -0.65 -0.15 0.00 -0.55 0.00 0.00 66.41 65.00 2k0f h THR 75 Cb 1.46 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2k0f h THR 75 CO 0.14 0.27 -0.46 0.44 -0.25 0.00 0.00 175.52 175.66 2k0f h ASP 76 N 1.01 0.71 0.60 5.36 3.32 -1.95 -3.01 116.42 122.46 2k0f h ASP 76 Ca 0.25 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 2k0f h ASP 76 Cb 0.11 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2k0f h ASP 76 CO -0.03 1.07 -0.48 -1.28 -1.72 0.00 0.00 179.24 176.80 2k0f h SER 77 N 0.53 0.00 -0.20 6.45 0.87 -1.27 -2.18 113.55 117.74 2k0f h SER 77 Ca 0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 2k0f h SER 77 Cb 1.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2k0f h SER 77 CO 0.09 0.48 -0.27 -0.08 -0.53 0.00 0.00 176.83 176.52 2k0f h GLU 78 N 0.00 0.69 -0.03 2.24 4.81 -1.10 -1.73 114.58 119.46 2k0f h GLU 78 Ca -0.00 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2k0f h GLU 78 Cb 0.91 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k0f h GLU 78 CO 0.06 0.88 -0.18 0.93 -0.73 0.00 0.00 179.01 179.98 2k0f h GLU 79 N 0.59 0.18 -0.61 1.92 4.39 -1.27 -3.28 114.58 116.49 2k0f h GLU 79 Ca 0.08 -0.15 0.11 0.00 0.34 0.00 0.00 59.36 59.73 2k0f h GLU 79 Cb 0.77 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.37 2k0f h GLU 79 CO 0.06 0.81 0.17 1.49 -1.16 0.00 0.00 179.01 180.38 2k0f h GLU 80 N -0.40 0.30 0.00 2.33 4.81 -1.26 -1.70 114.58 118.67 2k0f h GLU 80 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 80 Cb 0.85 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 80 CO 0.04 0.20 -0.04 0.97 -0.73 0.00 0.00 179.01 179.45 2k0f h ILE 81 N 0.31 0.12 0.04 2.32 2.10 -1.44 0.27 117.51 121.22 2k0f h ILE 81 Ca 0.32 -0.54 -0.25 0.00 1.08 0.00 0.00 64.86 65.47 2k0f h ILE 81 Cb 0.46 1.48 -0.02 0.00 -1.09 0.00 0.00 36.82 37.64 2k0f h ILE 81 CO -0.38 0.04 -1.26 -0.09 -1.08 0.00 0.00 178.15 175.38 2k0f h ARG 82 N 0.00 0.08 0.00 2.19 2.43 -1.41 -2.98 114.38 114.69 2k0f h ARG 82 Ca -0.00 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 2k0f h ARG 82 Cb 0.47 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2k0f h ARG 82 CO 0.01 0.96 -0.93 1.49 -1.51 0.00 0.00 179.97 179.98 2k0f h GLU 83 N 0.02 0.00 -0.35 0.20 4.57 -1.15 -3.00 114.58 114.87 2k0f h GLU 83 Ca -0.12 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.04 2k0f h GLU 83 Cb 1.89 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 2k0f h GLU 83 CO 0.14 0.50 0.12 0.00 -1.18 0.00 0.00 179.01 178.59 2k0f h ALA 84 N 1.38 0.45 0.00 2.92 0.00 -0.56 -3.06 119.26 120.39 2k0f h ALA 84 Ca -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 84 Cb 1.54 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k0f h ALA 84 CO 0.07 0.08 -0.16 0.35 0.00 0.00 0.00 179.25 179.59 2k0f h PHE 85 N 0.41 0.00 0.00 0.00 3.04 -1.51 -2.38 116.94 116.50 2k0f h PHE 85 Ca 0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2k0f h PHE 85 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2k0f h PHE 85 CO 0.00 0.16 0.09 0.00 -2.02 0.00 0.00 178.31 176.55 2k0f h ARG 86 N 0.00 0.00 0.18 1.11 3.08 -1.42 -1.50 114.38 115.83 2k0f h ARG 86 Ca -0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 2k0f h ARG 86 Cb 0.29 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.37 2k0f h ARG 86 CO 0.02 0.00 -1.30 0.28 -1.07 0.00 0.00 179.97 177.90 2k0f h VAL 87 N 0.00 1.31 0.19 2.04 2.07 -1.50 -3.39 116.25 116.97 2k0f h VAL 87 Ca 0.00 -2.56 -0.01 0.00 0.82 0.00 0.00 66.70 64.95 2k0f h VAL 87 Cb 0.18 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k0f h VAL 87 CO 0.00 0.77 -0.09 -0.26 0.02 0.00 0.00 177.57 178.01 2k0f h PHE 88 N 0.15 -0.24 -2.26 1.57 0.04 -1.50 -3.42 116.94 111.28 2k0f h PHE 88 Ca -0.21 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.02 2k0f h PHE 88 Cb 2.00 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 40.16 2k0f h PHE 88 CO 0.13 -0.15 1.13 0.34 -0.60 0.00 0.00 178.31 179.16 2k0f s ASP 89 N -4.04 5.94 -0.02 2.17 2.15 -0.63 -4.72 116.67 117.52 2k0f s ASP 89 Ca -0.04 -0.26 -0.23 0.00 0.43 0.00 0.00 52.55 52.46 2k0f s ASP 89 Cb 0.00 -2.55 -0.21 0.00 -0.30 0.00 0.00 42.92 39.86 2k0f s ASP 89 CO 0.11 -1.97 1.14 0.50 -0.17 0.00 0.00 175.17 174.78 2k0f h LYS 90 N 11.26 0.26 0.00 4.34 1.63 -1.83 -3.40 116.57 128.82 2k0f h LYS 90 Ca -0.27 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2k0f h LYS 90 Cb 1.08 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2k0f h LYS 90 CO 1.26 0.88 0.00 -0.40 -3.45 0.00 0.00 179.45 177.75 2k0f n ASP 91 N -4.49 0.00 0.00 4.20 5.68 -1.26 -4.98 116.55 115.70 2k0f n ASP 91 Ca -0.09 0.73 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2k0f n ASP 91 Cb 0.48 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 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 0.45 0.00 0.16 6.12 0.00 -1.26 -5.04 105.19 105.61 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 -1.07 -1.94 -3.45 115.58 110.74 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N -0.41 0.60 2.97 9.14 0.00 -1.26 -5.04 105.19 111.20 2k0f n GLY 94 Ca 0.01 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.95 -0.21 1.61 2.02 -1.26 -3.50 117.35 115.96 2k0f s TYR 95 Ca 0.00 -1.09 -0.25 0.00 -0.37 0.00 0.00 57.07 55.35 2k0f s TYR 95 Cb 0.00 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2k0f s TYR 95 CO 0.00 -0.63 0.86 0.42 -1.57 0.00 0.00 175.55 174.63 2k0f s ILE 96 N 1.56 4.84 0.65 2.71 1.01 -0.31 -4.87 121.20 126.78 2k0f s ILE 96 Ca 0.04 1.65 0.07 0.00 0.00 0.00 0.00 60.65 62.41 2k0f s ILE 96 Cb -0.13 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.30 2k0f s ILE 96 CO -0.10 -0.05 0.89 -0.94 0.00 0.00 0.00 174.94 174.75 2k0f s SER 97 N 1.25 4.75 0.42 3.58 1.04 -1.26 -1.66 113.70 121.82 2k0f s SER 97 Ca 0.37 -0.78 0.23 0.00 0.48 0.00 0.00 55.95 56.25 2k0f s SER 97 Cb -0.16 0.37 0.39 0.00 0.10 0.00 0.00 66.02 66.73 2k0f s SER 97 CO 0.09 -1.61 1.62 0.00 0.98 0.00 0.00 173.24 174.32 2k0f h ALA 98 N -0.12 0.95 -0.06 5.32 0.00 -1.95 -0.88 119.26 122.52 2k0f h ALA 98 Ca -0.30 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 98 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k0f h ALA 98 CO 0.39 0.11 -0.73 0.00 0.00 0.00 0.00 179.25 179.02 2k0f h ALA 99 N 1.91 0.64 0.02 0.00 0.00 -1.97 0.55 119.26 120.41 2k0f h ALA 99 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 2k0f h ALA 99 Cb 1.02 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 99 CO 0.01 0.79 -0.50 0.93 0.00 0.00 0.00 179.25 180.48 2k0f h GLU 100 N 0.21 0.31 -0.02 0.00 5.08 -1.86 -0.52 114.58 117.78 2k0f h GLU 100 Ca -0.03 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2k0f h GLU 100 Cb 1.30 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 100 CO 0.12 1.06 -0.27 1.25 -1.00 0.00 0.00 179.01 180.17 2k0f h LEU 101 N -0.30 -0.81 -0.85 1.33 5.85 -1.18 -2.24 115.31 117.11 2k0f h LEU 101 Ca -0.07 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.88 2k0f h LEU 101 Cb 1.25 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.54 2k0f h LEU 101 CO 0.10 -0.34 0.48 -0.09 -0.34 0.00 0.00 178.44 178.25 2k0f h ARG 102 N -0.41 0.73 -0.18 1.25 2.43 -0.93 -1.66 114.38 115.62 2k0f h ARG 102 Ca 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 102 Cb 0.50 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2k0f h ARG 102 CO -0.25 0.49 -0.02 1.25 -1.51 0.00 0.00 179.97 179.92 2k0f h HIS 103 N 0.76 0.26 -0.05 2.20 2.76 -0.48 -0.64 115.15 119.96 2k0f h HIS 103 Ca 0.43 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.47 2k0f h HIS 103 Cb 0.47 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.36 2k0f h HIS 103 CO -0.06 0.29 -0.40 0.28 -1.30 0.00 0.00 177.93 176.74 2k0f h VAL 104 N 0.26 1.43 -0.19 5.26 2.07 -1.22 -2.79 116.25 121.06 2k0f h VAL 104 Ca 0.06 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.64 2k0f h VAL 104 Cb 0.21 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2k0f h VAL 104 CO 0.01 0.53 -0.29 0.24 0.02 0.00 0.00 177.57 178.08 2k0f h MET 105 N -0.13 0.37 -0.51 1.57 2.07 -1.19 -1.74 114.93 115.36 2k0f h MET 105 Ca -0.04 -0.14 0.03 0.00 -2.07 0.00 0.00 59.70 57.48 2k0f h MET 105 Cb 1.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.75 2k0f h MET 105 CO 0.08 0.63 0.30 1.15 1.07 0.00 0.00 176.91 180.13 2k0f h THR 106 N 0.32 1.04 -0.96 2.22 2.02 -1.19 0.15 112.91 116.51 2k0f h THR 106 Ca 0.05 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.15 2k0f h THR 106 Cb 0.67 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 2k0f h THR 106 CO 0.05 0.11 0.61 0.78 0.37 0.00 0.00 175.52 177.44 2k0f h ASN 107 N 0.59 0.84 0.00 4.18 2.35 -1.16 -2.64 115.58 119.73 2k0f h ASN 107 Ca 0.21 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 2k0f h ASN 107 Cb 0.04 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2k0f h ASN 107 CO -0.10 0.45 -0.51 -0.07 -1.65 0.00 0.00 177.43 175.55 2k0f h LEU 108 N 0.90 0.44 0.00 1.61 3.38 -1.24 -3.45 115.31 116.95 2k0f h LEU 108 Ca 0.47 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2k0f h LEU 108 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k0f h LEU 108 CO -0.24 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2k0f n GLY 109 N 1.08 0.66 3.80 0.83 0.00 0.31 -4.87 105.19 107.00 2k0f n GLY 109 Ca -0.10 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.42 3.22 -0.75 1.61 0.41 0.05 -5.00 118.70 117.82 2k0f s GLU 110 Ca 0.00 -0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.22 2k0f s GLU 110 Cb 0.00 -2.99 0.22 0.00 -1.78 0.00 0.00 34.13 29.58 2k0f s GLU 110 CO 0.00 0.72 2.33 1.63 -0.49 0.00 0.00 175.26 179.44 2k0f n LYS 111 N 1.75 3.00 -2.98 1.61 5.02 -1.26 -4.70 118.16 120.61 2k0f n LYS 111 Ca -0.17 -3.17 -0.33 0.00 -2.02 0.00 0.00 58.31 52.62 2k0f n LYS 111 Cb 0.54 -2.27 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k0f s LEU 112 N -3.23 4.01 0.00 -0.35 0.05 -1.26 -5.11 118.68 112.79 2k0f s LEU 112 Ca 0.54 1.49 0.01 0.00 0.05 0.00 0.00 54.13 56.22 2k0f s LEU 112 Cb 0.38 -4.29 0.09 0.00 -2.05 0.00 0.00 46.19 40.31 2k0f s LEU 112 CO -0.29 -0.27 0.63 0.35 -0.55 0.00 0.00 176.35 176.21 2k0f n THR 113 N -0.47 0.00 0.12 5.48 -2.24 -1.26 -5.02 114.28 110.89 2k0f n THR 113 Ca 0.05 -1.07 -0.23 0.00 -2.27 0.00 0.00 64.05 60.53 2k0f n THR 113 Cb 0.53 -0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.30 0.72 -0.64 3.42 5.19 -1.99 -3.14 116.42 119.67 2k0f h ASP 114 Ca -0.21 -0.83 0.14 0.00 -0.62 0.00 0.00 57.03 55.51 2k0f h ASP 114 Cb 0.80 -0.23 -0.11 0.00 0.18 0.00 0.00 39.33 39.97 2k0f h ASP 114 CO 0.24 1.66 0.02 -0.33 -3.12 0.00 0.00 179.24 177.71 2k0f h GLU 115 N 0.12 0.13 -0.79 3.56 4.39 -1.97 0.21 114.58 120.23 2k0f h GLU 115 Ca -0.26 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 115 Cb 2.12 -0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 30.61 2k0f h GLU 115 CO 0.24 0.08 -0.37 0.93 -1.16 0.00 0.00 179.01 178.73 2k0f h GLU 116 N 0.13 -0.09 -0.26 2.33 4.39 -1.96 -0.72 114.58 118.41 2k0f h GLU 116 Ca 0.34 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.89 2k0f h GLU 116 Cb 0.56 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2k0f h GLU 116 CO -0.54 -0.06 -0.48 0.28 -1.16 0.00 0.00 179.01 177.05 2k0f h VAL 117 N -0.09 1.30 -0.55 3.13 2.07 -1.21 -2.90 116.25 117.99 2k0f h VAL 117 Ca 0.28 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2k0f h VAL 117 Cb 0.57 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2k0f h VAL 117 CO -0.83 0.54 0.22 -0.78 0.02 0.00 0.00 177.57 176.74 2k0f h ASP 118 N 0.55 0.76 1.59 0.57 3.58 0.00 -2.62 116.42 120.85 2k0f h ASP 118 Ca 0.03 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2k0f h ASP 118 Cb 1.04 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 2k0f h ASP 118 CO 0.10 0.72 -0.07 -0.08 -2.88 0.00 0.00 179.24 177.04 2k0f h GLU 119 N 0.75 0.00 -0.11 0.28 4.57 -1.20 -2.50 114.58 116.36 2k0f h GLU 119 Ca 0.18 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.21 2k0f h GLU 119 Cb 0.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2k0f h GLU 119 CO -0.01 0.07 -0.53 1.98 -1.18 0.00 0.00 179.01 179.33 2k0f h MET 120 N 0.00 0.55 -0.35 1.92 4.05 -1.27 -2.50 114.93 117.33 2k0f h MET 120 Ca -0.00 -0.45 -0.08 0.00 -0.28 0.00 0.00 59.70 58.89 2k0f h MET 120 Cb 0.88 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 2k0f h MET 120 CO 0.01 1.07 -0.11 0.82 0.23 0.00 0.00 176.91 178.94 2k0f h ILE 121 N 0.16 1.28 -1.05 1.77 1.08 -1.45 -3.06 117.51 116.25 2k0f h ILE 121 Ca -0.04 -1.18 0.28 0.00 -0.39 0.00 0.00 64.86 63.53 2k0f h ILE 121 Cb 1.17 1.33 -0.12 0.00 -3.07 0.00 0.00 36.82 36.14 2k0f h ILE 121 CO 0.11 0.39 0.64 -0.09 -0.69 0.00 0.00 178.15 178.51 2k0f h ARG 122 N 0.47 0.42 0.07 2.37 2.43 -1.48 0.06 114.38 118.72 2k0f h ARG 122 Ca 0.08 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 58.98 2k0f h ARG 122 Cb 0.62 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2k0f h ARG 122 CO 0.04 0.28 -1.19 1.49 -1.51 0.00 0.00 179.97 179.07 2k0f h GLU 123 N 0.43 0.15 0.02 0.20 4.81 -1.35 -3.35 114.58 115.49 2k0f h GLU 123 Ca 0.65 -0.26 -0.14 0.00 -0.13 0.00 0.00 59.36 59.48 2k0f h GLU 123 Cb 1.52 0.10 0.01 0.00 0.63 0.00 0.00 28.75 31.00 2k0f h GLU 123 CO -0.42 1.10 -0.56 0.00 -0.73 0.00 0.00 179.01 178.40 2k0f h ALA 124 N 0.75 0.05 -2.38 2.92 0.00 -1.37 -3.45 119.26 115.78 2k0f h ALA 124 Ca -0.10 -0.57 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 2k0f h ALA 124 Cb 1.90 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.75 2k0f h ALA 124 CO 0.17 0.30 1.21 0.34 0.00 0.00 0.00 179.25 181.27 2k0f s ASP 125 N -6.70 6.45 -0.22 0.00 2.15 -0.05 -4.80 116.67 113.52 2k0f s ASP 125 Ca -0.14 2.68 0.03 0.00 0.43 0.00 0.00 52.55 55.54 2k0f s ASP 125 Cb 0.03 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 125 CO 0.81 -1.05 -0.04 -0.38 -0.17 0.00 0.00 175.17 174.34 2k0f n ILE 126 N 5.44 1.54 0.03 4.11 2.08 -1.26 -4.86 119.36 126.43 2k0f n ILE 126 Ca 0.20 -0.63 -0.02 0.00 0.56 0.00 0.00 62.75 62.86 2k0f n ILE 126 Cb 0.41 -1.35 -0.01 0.00 -0.75 0.00 0.00 39.64 37.94 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 0.01 -0.10 0.00 4.38 3.04 -1.96 -3.49 116.42 118.30 2k0f h ASP 127 Ca -0.53 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 2k0f h ASP 127 Cb 1.97 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 40.29 2k0f h ASP 127 CO -0.03 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.92 2k0f n GLY 128 N 1.33 -0.12 0.14 7.15 0.00 -1.26 -5.05 105.19 107.39 2k0f n GLY 128 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 0.58 0.00 1.61 2.03 -1.98 -3.48 116.42 115.18 2k0f h ASP 129 Ca 0.00 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 2k0f h ASP 129 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 2k0f h ASP 129 CO 0.00 1.72 0.00 0.61 -1.03 0.00 0.00 179.24 180.54 2k0f n GLY 130 N 1.82 1.25 3.27 7.15 0.00 -1.26 -5.09 105.19 112.33 2k0f n GLY 130 Ca -0.23 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.42 2.98 -0.17 1.61 -0.21 -1.26 -4.76 119.66 117.44 2k0f s GLN 131 Ca 0.00 -0.84 -0.21 0.00 0.02 0.00 0.00 55.36 54.34 2k0f s GLN 131 Cb 0.00 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 2k0f s GLN 131 CO 0.00 0.25 0.61 0.08 -2.12 0.00 0.00 175.29 174.11 2k0f s VAL 132 N 0.18 5.06 0.24 1.09 1.01 -0.66 -4.83 120.40 122.48 2k0f s VAL 132 Ca -0.13 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2k0f s VAL 132 Cb -0.16 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.33 2k0f s VAL 132 CO 0.07 0.17 0.32 -0.46 0.00 0.00 0.00 175.10 175.20 2k0f n ASN 133 N 4.65 0.38 -0.15 3.32 0.23 -1.26 -1.16 115.26 121.26 2k0f n ASN 133 Ca -0.02 -1.33 -0.10 0.00 -0.53 0.00 0.00 54.58 52.60 2k0f n ASN 133 Cb 0.50 -0.21 -0.01 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.54 0.75 -0.06 -2.53 3.20 -1.96 -2.49 116.97 113.35 2k0f h TYR 134 Ca -0.11 -0.10 -0.19 0.00 3.14 0.00 0.00 58.73 61.47 2k0f h TYR 134 Cb 0.38 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 2k0f h TYR 134 CO 0.00 0.72 -0.77 0.93 -1.64 0.00 0.00 178.16 177.40 2k0f h GLU 135 N 0.57 0.39 -0.84 1.82 5.08 -1.95 -1.20 114.58 118.45 2k0f h GLU 135 Ca 0.13 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 135 Cb 0.37 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 135 CO 0.01 0.99 0.55 0.93 -1.00 0.00 0.00 179.01 180.49 2k0f h GLU 136 N 0.26 1.06 -0.20 2.33 5.08 -1.92 -2.47 114.58 118.72 2k0f h GLU 136 Ca -0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 136 Cb 1.36 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 136 CO 0.13 0.70 -0.01 0.35 -1.00 0.00 0.00 179.01 179.18 2k0f h PHE 137 N 1.09 0.41 -0.15 4.33 3.57 -1.41 -3.16 116.94 121.62 2k0f h PHE 137 Ca 0.33 -0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 137 Cb -0.05 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2k0f h PHE 137 CO -0.02 0.58 -0.53 0.28 -2.23 0.00 0.00 178.31 176.39 2k0f h VAL 138 N 0.12 1.34 -0.04 1.41 2.07 -1.06 -1.34 116.25 118.76 2k0f h VAL 138 Ca 0.06 -1.79 -0.20 0.00 0.82 0.00 0.00 66.70 65.59 2k0f h VAL 138 Cb 0.42 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k0f h VAL 138 CO 0.01 0.55 -0.82 -0.61 0.02 0.00 0.00 177.57 176.72 2k0f h GLN 139 N 0.34 0.37 -0.56 1.57 5.75 -1.55 -2.46 115.11 118.57 2k0f h GLN 139 Ca 0.01 -0.34 0.06 0.00 -0.15 0.00 0.00 58.65 58.23 2k0f h GLN 139 Cb 1.04 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.62 2k0f h GLN 139 CO 0.09 1.01 0.25 1.98 -2.65 0.00 0.00 178.83 179.51 2k0f h MET 140 N 0.23 0.46 0.13 1.69 4.05 -1.45 -3.33 114.93 116.72 2k0f h MET 140 Ca -0.05 -0.03 -0.30 0.00 -0.28 0.00 0.00 59.70 59.04 2k0f h MET 140 Cb 1.43 -0.10 0.03 0.00 -0.80 0.00 0.00 31.60 32.15 2k0f h MET 140 CO 0.14 0.31 -1.26 0.52 0.23 0.00 0.00 176.91 176.85 2k0f h MET 141 N 0.48 0.63 0.00 0.39 2.86 -1.07 -3.52 114.93 114.70 2k0f h MET 141 Ca 0.26 -0.85 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 2k0f h MET 141 Cb 0.23 0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k0f h MET 141 CO -0.22 1.39 0.00 0.25 1.06 0.00 0.00 176.91 179.39