#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 -0.27 -2.43 1.09 4.81 -2.03 -3.46 114.58 112.29 2k0f h GLU 2 Ca 0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 2 Cb 0.00 0.06 -0.21 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 2 CO 0.00 0.12 -0.05 -2.00 -0.73 0.00 0.00 179.01 176.35 2k0f s GLU 3 N -3.65 0.73 -0.07 1.92 2.56 -1.26 -5.09 118.70 113.85 2k0f s GLU 3 Ca -0.13 0.49 -0.26 0.00 0.00 0.00 0.00 54.97 55.08 2k0f s GLU 3 Cb 0.01 0.35 -0.21 0.00 2.00 0.00 0.00 34.13 36.28 2k0f s GLU 3 CO 0.47 -0.15 1.01 1.96 -0.56 0.00 0.00 175.26 177.99 2k0f h GLN 4 N 4.56 -0.04 -0.74 4.30 4.20 -2.00 -3.03 115.11 122.36 2k0f h GLN 4 Ca -0.28 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.50 2k0f h GLN 4 Cb 1.17 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 2k0f h GLN 4 CO 0.25 0.60 -0.44 -0.89 -0.67 0.00 0.00 178.83 177.68 2k0f n ILE 5 N -4.79 -0.51 0.25 2.54 2.08 -1.26 -0.95 119.36 116.73 2k0f n ILE 5 Ca -0.09 1.92 0.10 0.00 0.56 0.00 0.00 62.75 65.24 2k0f n ILE 5 Cb 0.33 -2.38 0.65 0.00 -0.75 0.00 0.00 39.64 37.48 2k0f n ILE 5 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k0f h ALA 6 N 0.29 1.41 -0.34 -1.39 0.00 -1.98 0.17 119.26 117.42 2k0f h ALA 6 Ca 0.12 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 6 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 6 CO -0.70 0.19 -0.31 1.49 0.00 0.00 0.00 179.25 179.91 2k0f h GLU 7 N 0.00 0.82 0.47 0.00 4.81 -1.02 -1.59 114.58 118.06 2k0f h GLU 7 Ca -0.00 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 2k0f h GLU 7 Cb 0.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k0f h GLU 7 CO 0.02 1.06 -0.23 0.74 -0.73 0.00 0.00 179.01 179.87 2k0f h PHE 8 N 0.61 -0.58 0.19 0.92 0.04 -0.66 -2.32 116.94 115.13 2k0f h PHE 8 Ca 0.06 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2k0f h PHE 8 Cb 0.89 0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 2k0f h PHE 8 CO 0.07 -0.28 -0.37 -0.22 -0.60 0.00 0.00 178.31 176.92 2k0f h LYS 9 N -0.84 -0.57 0.00 1.51 1.63 -0.73 -0.57 116.57 116.99 2k0f h LYS 9 Ca -0.06 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2k0f h LYS 9 Cb 0.57 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2k0f h LYS 9 CO 0.11 -0.38 -0.02 0.93 -3.45 0.00 0.00 179.45 176.64 2k0f h GLU 10 N -0.60 0.00 -0.47 1.90 4.39 -1.42 -1.31 114.58 117.08 2k0f h GLU 10 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 10 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2k0f h GLU 10 CO -0.14 0.02 0.23 0.00 -1.16 0.00 0.00 179.01 177.95 2k0f h ALA 11 N 1.98 0.60 -0.45 3.43 0.00 -0.82 -2.35 119.26 121.65 2k0f h ALA 11 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 11 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k0f h ALA 11 CO 0.00 0.16 0.25 0.35 0.00 0.00 0.00 179.25 180.01 2k0f h PHE 12 N 0.61 0.60 -0.95 0.00 3.04 -0.24 -2.73 116.94 117.27 2k0f h PHE 12 Ca 0.16 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.31 2k0f h PHE 12 Cb 0.11 -0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.34 2k0f h PHE 12 CO -0.01 0.45 0.62 0.77 -2.02 0.00 0.00 178.31 178.11 2k0f h SER 13 N 0.59 0.49 -0.66 0.41 0.02 -1.27 -1.88 113.55 111.25 2k0f h SER 13 Ca 0.16 0.06 0.18 0.00 -0.84 0.00 0.00 61.79 61.34 2k0f h SER 13 Cb 0.03 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2k0f h SER 13 CO -0.03 0.18 0.47 0.25 -1.14 0.00 0.00 176.83 176.56 2k0f h LEU 14 N 0.48 0.09 0.06 5.07 5.85 -1.09 -3.23 115.31 122.55 2k0f h LEU 14 Ca 0.51 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.89 2k0f h LEU 14 Cb 1.18 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 2k0f h LEU 14 CO -0.24 0.04 -1.99 0.49 -0.34 0.00 0.00 178.44 176.41 2k0f n PHE 15 N -4.38 0.95 -2.81 1.25 3.72 -0.73 -4.88 117.46 110.58 2k0f n PHE 15 Ca 0.13 0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 57.35 2k0f n PHE 15 Cb 0.67 -1.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.03 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 -6.58 6.92 0.00 4.37 -1.08 -1.08 -4.81 116.67 114.41 2k0f s ASP 16 Ca -0.17 1.14 0.13 0.00 -0.52 0.00 0.00 52.55 53.12 2k0f s ASP 16 Cb 0.07 -2.47 -0.21 0.00 -1.46 0.00 0.00 42.92 38.85 2k0f s ASP 16 CO 0.77 -0.58 0.79 0.50 0.52 0.00 0.00 175.17 177.17 2k0f h LYS 17 N 7.63 0.00 0.00 4.34 1.63 -1.89 -3.34 116.57 124.94 2k0f h LYS 17 Ca -0.22 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.49 2k0f h LYS 17 Cb 1.08 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2k0f h LYS 17 CO 0.91 0.53 -0.53 -0.44 -3.45 0.00 0.00 179.45 176.48 2k0f h ASP 18 N 0.00 0.00 -0.16 4.20 3.32 -1.92 -3.49 116.42 118.37 2k0f h ASP 18 Ca -0.22 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2k0f h ASP 18 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 2k0f h ASP 18 CO 0.08 1.16 0.00 0.61 -1.72 0.00 0.00 179.24 179.37 2k0f n GLY 19 N 1.55 1.24 0.06 2.75 0.00 -1.25 -5.01 105.19 104.53 2k0f n GLY 19 Ca -0.18 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 0.55 0.36 0.00 1.61 5.75 -1.26 -4.99 116.55 118.57 2k0f n ASP 20 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2k0f n ASP 20 Cb 0.16 1.19 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 1.32 1.17 3.01 6.12 0.00 -1.26 -5.11 105.19 110.44 2k0f n GLY 21 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.84 -0.30 2.61 -4.23 -1.26 -4.43 115.64 106.87 2k0f s THR 22 Ca 0.00 -0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 59.95 2k0f s THR 22 Cb 0.00 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 2k0f s THR 22 CO 0.00 0.26 0.50 -0.63 -0.54 0.00 0.00 174.62 174.21 2k0f s ILE 23 N 0.22 5.06 0.41 2.99 1.01 -1.21 -4.83 121.20 124.84 2k0f s ILE 23 Ca -0.04 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.27 2k0f s ILE 23 Cb -0.09 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2k0f s ILE 23 CO 0.01 -0.04 0.58 0.42 0.00 0.00 0.00 174.94 175.91 2k0f s THR 24 N 2.32 3.57 0.42 2.92 -4.23 -1.26 -3.79 115.64 115.59 2k0f s THR 24 Ca 0.19 -0.85 0.24 0.00 -1.18 0.00 0.00 61.69 60.09 2k0f s THR 24 Cb -0.16 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.69 2k0f s THR 24 CO 0.11 -0.13 2.05 0.71 -0.54 0.00 0.00 174.62 176.82 2k0f h THR 25 N 0.60 0.72 0.24 3.99 1.35 -1.94 -1.66 112.91 116.22 2k0f h THR 25 Ca -0.44 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 2k0f h THR 25 Cb 1.27 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2k0f h THR 25 CO 0.52 0.14 -0.11 0.50 -0.25 0.00 0.00 175.52 176.31 2k0f h LYS 26 N 0.00 -0.31 -0.36 4.72 3.64 -1.98 -0.77 116.57 121.50 2k0f h LYS 26 Ca -0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2k0f h LYS 26 Cb 0.33 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2k0f h LYS 26 CO 0.02 -0.03 0.03 0.93 -2.27 0.00 0.00 179.45 178.12 2k0f h GLU 27 N -0.57 0.56 -0.22 1.90 5.08 -1.83 -2.80 114.58 116.70 2k0f h GLU 27 Ca -0.03 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 27 Cb 0.42 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 27 CO 0.05 0.56 -0.22 1.25 -1.00 0.00 0.00 179.01 179.66 2k0f h LEU 28 N 0.54 0.58 0.18 1.33 5.85 -1.32 -3.11 115.31 119.35 2k0f h LEU 28 Ca 0.12 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.38 2k0f h LEU 28 Cb 0.30 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2k0f h LEU 28 CO 0.01 0.93 -0.37 1.23 -0.34 0.00 0.00 178.44 179.90 2k0f h GLY 29 N 0.23 -0.77 -0.37 3.75 0.00 -0.98 -1.65 103.07 103.29 2k0f h GLY 29 Ca 0.04 0.44 0.30 0.00 0.00 0.00 0.00 47.33 48.11 2k0f h GLY 29 CO 0.05 -0.27 0.70 -0.84 0.00 0.00 0.00 176.54 176.18 2k0f h THR 30 N -0.64 0.43 0.17 4.70 2.02 -1.57 -1.13 112.91 116.89 2k0f h THR 30 Ca 0.01 -0.11 -0.35 0.00 0.77 0.00 0.00 66.41 66.73 2k0f h THR 30 Cb 0.65 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2k0f h THR 30 CO -0.18 0.06 -1.75 0.58 0.37 0.00 0.00 175.52 174.59 2k0f h VAL 31 N 0.33 0.93 -0.64 3.16 2.07 -1.32 -1.71 116.25 119.07 2k0f h VAL 31 Ca 0.65 -2.53 0.09 0.00 0.82 0.00 0.00 66.70 65.73 2k0f h VAL 31 Cb 1.74 2.74 -0.11 0.00 -1.52 0.00 0.00 31.29 34.13 2k0f h VAL 31 CO -0.35 0.85 -0.46 0.24 0.02 0.00 0.00 177.57 177.88 2k0f h MET 32 N 0.10 -0.19 -0.34 1.57 2.86 -1.25 -1.83 114.93 115.85 2k0f h MET 32 Ca -0.34 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 2k0f h MET 32 Cb 2.09 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.77 2k0f h MET 32 CO 0.17 -0.13 0.01 0.00 1.06 0.00 0.00 176.91 178.02 2k0f h ARG 33 N -0.20 0.52 0.00 1.72 3.08 -1.12 0.16 114.38 118.54 2k0f h ARG 33 Ca 0.18 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2k0f h ARG 33 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2k0f h ARG 33 CO -0.73 0.54 -0.34 0.77 -1.07 0.00 0.00 179.97 179.14 2k0f h SER 34 N 0.50 0.00 0.02 7.04 0.02 -1.03 -3.10 113.55 117.00 2k0f h SER 34 Ca 0.11 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2k0f h SER 34 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2k0f h SER 34 CO 0.01 0.34 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.55 2k0f h LEU 35 N 0.00 0.06 0.00 5.07 3.38 -0.62 -3.46 115.31 119.73 2k0f h LEU 35 Ca -0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 2k0f h LEU 35 Cb 0.97 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k0f h LEU 35 CO 0.04 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2k0f n GLY 36 N 1.58 -0.17 3.08 0.83 0.00 0.37 -5.11 105.19 105.77 2k0f n GLY 36 Ca -0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 0.21 -0.89 1.61 2.00 0.02 -4.94 119.66 117.67 2k0f s GLN 37 Ca 0.00 0.75 -0.07 0.00 -2.00 0.00 0.00 55.36 54.03 2k0f s GLN 37 Cb 0.00 0.00 0.23 0.00 0.80 0.00 0.00 33.01 34.04 2k0f s GLN 37 CO 0.00 -0.24 0.81 -0.80 -0.50 0.00 0.00 175.29 174.56 2k0f s ASN 38 N 2.09 6.44 1.00 6.67 0.01 -1.26 -3.05 114.94 126.84 2k0f s ASN 38 Ca -0.03 -3.27 -0.12 0.00 -0.71 0.00 0.00 52.86 48.73 2k0f s ASN 38 Cb -0.11 -2.06 0.19 0.00 0.41 0.00 0.00 41.25 39.67 2k0f s ASN 38 CO -0.10 -0.35 1.10 -2.16 -1.51 0.00 0.00 177.10 174.09 2k0f s PRO 39 N -0.71 0.42 0.95 -0.60 0.04 -1.26 -5.09 135.00 128.75 2k0f s PRO 39 Ca 0.24 0.45 -0.15 0.00 0.04 0.00 0.00 61.00 61.59 2k0f s PRO 39 Cb -0.11 -1.74 0.17 0.00 0.04 0.00 0.00 34.50 32.86 2k0f s PRO 39 CO -0.09 -2.73 1.22 0.95 0.04 0.00 0.00 177.00 176.39 2k0f s THR 40 N -3.01 1.94 -0.31 1.26 -4.23 -1.26 -4.98 115.64 105.06 2k0f s THR 40 Ca 0.65 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.38 2k0f s THR 40 Cb -0.18 -2.87 -0.31 0.00 1.34 0.00 0.00 72.50 70.48 2k0f s THR 40 CO 0.57 0.00 0.60 -0.62 -0.54 0.00 0.00 174.62 174.63 2k0f n GLU 41 N -3.80 0.47 0.06 3.99 -0.58 -1.26 -2.10 120.64 117.41 2k0f n GLU 41 Ca 0.11 -0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 2k0f n GLU 41 Cb 0.60 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.87 2k0f n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 42 N 2.29 -0.16 -0.74 0.62 0.00 -1.98 -2.87 119.26 116.42 2k0f h ALA 42 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 42 Cb 0.86 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2k0f h ALA 42 CO 0.00 -0.38 0.49 0.93 0.00 0.00 0.00 179.25 180.28 2k0f h GLU 43 N -0.57 0.62 0.00 0.00 5.08 -1.96 0.94 114.58 118.69 2k0f h GLU 43 Ca -0.02 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 43 Cb 0.45 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 43 CO 0.03 0.41 -0.86 1.25 -1.00 0.00 0.00 179.01 178.84 2k0f h LEU 44 N 0.63 0.11 0.00 1.33 5.85 -1.42 -0.58 115.31 121.23 2k0f h LEU 44 Ca 0.34 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2k0f h LEU 44 Cb 0.48 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k0f h LEU 44 CO -0.12 0.91 -0.56 -0.61 -0.34 0.00 0.00 178.44 177.72 2k0f h GLN 45 N 0.04 0.00 -0.41 1.25 4.15 -1.24 -3.22 115.11 115.68 2k0f h GLN 45 Ca -0.02 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 2k0f h GLN 45 Cb 1.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.17 2k0f h GLN 45 CO 0.12 0.00 -0.33 0.22 -1.93 0.00 0.00 178.83 176.91 2k0f h ASP 46 N 0.00 1.01 -0.33 -0.69 3.58 -0.13 0.51 116.42 120.36 2k0f h ASP 46 Ca 0.00 -0.45 0.05 0.00 0.42 0.00 0.00 57.03 57.05 2k0f h ASP 46 Cb 0.94 -0.28 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 2k0f h ASP 46 CO 0.00 1.24 -0.54 0.24 -2.88 0.00 0.00 179.24 177.30 2k0f h MET 47 N 0.79 -0.42 -0.07 0.28 2.86 -1.22 -3.19 114.93 113.95 2k0f h MET 47 Ca 0.08 0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 47 Cb 0.93 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2k0f h MET 47 CO 0.09 -0.28 -0.51 0.82 1.06 0.00 0.00 176.91 178.08 2k0f h ILE 48 N -0.44 1.36 0.00 -1.22 1.08 -1.53 -1.95 117.51 114.80 2k0f h ILE 48 Ca 0.07 -1.77 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 2k0f h ILE 48 Cb 0.62 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2k0f h ILE 48 CO -0.55 0.52 0.00 0.59 -0.69 0.00 0.00 178.15 178.02 2k0f n ASN 49 N -3.94 0.00 -0.02 1.72 3.02 0.16 -1.04 115.26 115.16 2k0f n ASN 49 Ca -0.02 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.73 2k0f n ASN 49 Cb 0.55 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2k0f h GLU 50 N 0.00 -0.07 -0.41 3.52 4.57 -1.33 -3.38 114.58 117.48 2k0f h GLU 50 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2k0f h GLU 50 Cb 0.00 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2k0f h GLU 50 CO 0.00 0.41 0.16 -0.39 -1.18 0.00 0.00 179.01 178.02 2k0f h VAL 51 N -0.96 1.20 -2.09 0.32 -1.51 -1.60 -3.45 116.25 108.15 2k0f h VAL 51 Ca -0.01 -0.61 -0.57 0.00 -1.23 0.00 0.00 66.70 64.28 2k0f h VAL 51 Cb 0.51 0.84 0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2k0f h VAL 51 CO 0.01 0.22 1.41 -0.67 -1.23 0.00 0.00 177.57 177.32 2k0f n ASP 52 N -4.63 3.54 -0.07 4.19 2.03 -0.20 -4.84 116.55 116.57 2k0f n ASP 52 Ca 0.00 0.42 -0.07 0.00 0.52 0.00 0.00 54.79 55.66 2k0f n ASP 52 Cb 0.15 -1.55 -0.09 0.00 -0.72 0.00 0.00 41.12 38.91 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 10.40 1.68 -0.20 -1.67 0.00 -1.26 -4.62 120.51 124.84 2k0f n ALA 53 Ca 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 2k0f n ALA 53 Cb 0.43 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.91 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 0.90 0.00 0.00 3.04 -1.94 -3.47 116.42 114.94 2k0f h ASP 54 Ca -0.35 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.18 2k0f h ASP 54 Cb 1.73 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 39.78 2k0f h ASP 54 CO 0.00 0.94 0.00 0.61 -2.04 0.00 0.00 179.24 178.75 2k0f n GLY 55 N -0.52 1.87 0.09 7.15 0.00 -1.26 -5.04 105.19 107.48 2k0f n GLY 55 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.68 0.00 1.61 0.23 -1.26 -5.01 115.26 111.51 2k0f n ASN 56 Ca 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 2k0f n ASN 56 Cb 0.00 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.56 1.11 3.11 4.83 0.00 -1.26 -5.10 105.19 109.44 2k0f n GLY 57 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 0.60 -0.30 2.61 -4.23 -1.26 -4.87 115.64 106.19 2k0f s THR 58 Ca 0.00 -1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 58.79 2k0f s THR 58 Cb 0.00 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.74 2k0f s THR 58 CO 0.00 -0.61 0.83 -0.51 -0.54 0.00 0.00 174.62 173.79 2k0f s ILE 59 N -2.43 4.76 0.57 2.99 2.07 -1.25 -4.78 121.20 123.14 2k0f s ILE 59 Ca 0.00 1.30 0.04 0.00 -1.41 0.00 0.00 60.65 60.58 2k0f s ILE 59 Cb -0.03 -4.18 0.06 0.00 0.13 0.00 0.00 42.46 38.45 2k0f s ILE 59 CO -0.02 -0.26 0.79 -1.81 -1.91 0.00 0.00 174.94 171.74 2k0f s ASP 60 N 1.59 5.07 0.09 4.50 1.11 -1.26 -3.36 116.67 124.41 2k0f s ASP 60 Ca 0.34 -0.37 -0.24 0.00 0.18 0.00 0.00 52.55 52.47 2k0f s ASP 60 Cb -0.14 -0.36 -0.08 0.00 1.07 0.00 0.00 42.92 43.41 2k0f s ASP 60 CO 0.12 -1.30 1.40 0.15 1.18 0.00 0.00 175.17 176.72 2k0f h PHE 61 N 0.05 -1.22 0.00 4.23 3.57 -1.97 -2.09 116.94 119.51 2k0f h PHE 61 Ca -0.38 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.18 2k0f h PHE 61 Cb 1.28 0.57 0.00 0.00 2.79 0.00 0.00 35.95 40.59 2k0f h PHE 61 CO 0.24 -0.37 0.00 -0.35 -2.23 0.00 0.00 178.31 175.61 2k0f n PRO 62 N -4.64 0.10 -0.02 6.41 -0.04 -1.26 -1.26 135.00 134.28 2k0f n PRO 62 Ca -0.03 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 2k0f n PRO 62 Cb 0.25 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.16 -0.20 0.54 5.08 -1.80 -2.73 114.58 115.63 2k0f h GLU 63 Ca 0.00 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 63 Cb 0.22 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k0f h GLU 63 CO 0.00 1.13 0.12 0.35 -1.00 0.00 0.00 179.01 179.61 2k0f h PHE 64 N -0.57 0.27 -0.41 4.33 3.04 -0.73 -2.42 116.94 120.45 2k0f h PHE 64 Ca -0.24 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 61.79 2k0f h PHE 64 Cb 1.52 -0.09 -0.09 0.00 2.56 0.00 0.00 35.95 39.86 2k0f h PHE 64 CO 0.16 0.22 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.32 2k0f h LEU 65 N 0.24 -0.91 -0.72 0.59 3.38 -1.29 -2.99 115.31 113.60 2k0f h LEU 65 Ca 0.07 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2k0f h LEU 65 Cb 0.03 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 65 CO -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.23 2k0f h THR 66 N -0.20 0.00 0.48 0.22 1.03 -1.37 -2.84 112.91 110.24 2k0f h THR 66 Ca 0.19 -0.58 -0.02 0.00 -0.01 0.00 0.00 66.41 65.98 2k0f h THR 66 Cb 0.50 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 2k0f h THR 66 CO -0.52 0.00 -0.23 -0.03 -0.01 0.00 0.00 175.52 174.72 2k0f h MET 67 N 0.00 -0.62 -0.10 0.00 1.85 -1.29 -3.31 114.93 111.47 2k0f h MET 67 Ca 0.00 0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.06 2k0f h MET 67 Cb 0.65 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 2k0f h MET 67 CO 0.00 -0.42 -0.25 0.52 -0.40 0.00 0.00 176.91 176.36 2k0f h MET 68 N -0.92 0.17 -0.14 0.39 2.07 -1.56 -3.27 114.93 111.67 2k0f h MET 68 Ca -0.07 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 2k0f h MET 68 Cb 0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 2k0f h MET 68 CO 0.11 0.42 0.00 0.00 1.07 0.00 0.00 176.91 178.50 2k0f n ALA 69 N -2.48 2.52 -2.51 6.32 0.00 -1.07 -4.67 120.51 118.61 2k0f n ALA 69 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2k0f n ALA 69 Cb 0.35 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.82 3.29 0.02 0.00 3.52 -1.24 -5.06 118.95 117.67 2k0f s ARG 70 Ca 0.22 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 2k0f s ARG 70 Cb 0.11 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 2k0f s ARG 70 CO 0.16 -0.73 1.24 0.21 -0.81 0.00 0.00 175.30 175.37 2k0f s LYS 71 N 2.13 4.38 0.00 5.12 2.20 -1.26 -5.03 119.74 127.27 2k0f s LYS 71 Ca 0.13 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 2k0f s LYS 71 Cb -0.17 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2k0f s LYS 71 CO 0.13 -0.38 0.00 -1.33 -0.36 0.00 0.00 175.35 173.41 2k0f n MET 72 N 4.58 1.49 -2.65 4.03 2.81 -1.26 -5.10 117.12 121.02 2k0f n MET 72 Ca 0.10 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.77 2k0f n MET 72 Cb 0.46 0.00 0.09 0.00 -0.71 0.00 0.00 33.22 33.05 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N 0.40 1.94 0.14 0.03 1.02 -1.26 -4.82 119.74 117.20 2k0f s LYS 73 Ca 0.00 -1.10 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 2k0f s LYS 73 Cb 0.00 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2k0f s LYS 73 CO 0.00 -1.22 1.58 0.38 -0.92 0.00 0.00 175.35 175.17 2k0f h ASP 74 N -0.31 -1.39 -0.59 2.83 3.04 -1.99 0.25 116.42 118.26 2k0f h ASP 74 Ca -0.37 0.20 -0.04 0.00 -3.24 0.00 0.00 57.03 53.58 2k0f h ASP 74 Cb 1.28 0.59 -0.03 0.00 -1.04 0.00 0.00 39.33 40.13 2k0f h ASP 74 CO 0.43 -0.39 0.21 0.71 -2.04 0.00 0.00 179.24 178.16 2k0f h THR 75 N -0.39 1.24 -0.03 1.15 1.35 -1.99 -2.98 112.91 111.25 2k0f h THR 75 Ca 0.11 -0.77 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 2k0f h THR 75 Cb 0.60 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2k0f h THR 75 CO -0.51 0.29 -0.01 0.44 -0.25 0.00 0.00 175.52 175.48 2k0f h ASP 76 N 0.83 0.07 0.17 5.36 3.32 -1.83 -0.99 116.42 123.35 2k0f h ASP 76 Ca 0.19 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2k0f h ASP 76 Cb 0.25 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2k0f h ASP 76 CO -0.01 0.45 -0.06 0.28 -1.72 0.00 0.00 179.24 178.18 2k0f h SER 77 N -0.31 0.00 0.06 6.45 0.02 -0.56 -2.07 113.55 117.14 2k0f h SER 77 Ca 0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 77 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 2k0f h SER 77 CO 0.00 0.06 -0.67 -0.08 -1.14 0.00 0.00 176.83 175.00 2k0f h GLU 78 N 0.00 0.36 -0.04 3.45 4.57 -1.34 -3.34 114.58 118.24 2k0f h GLU 78 Ca -0.00 -0.46 -0.15 0.00 -1.18 0.00 0.00 59.36 57.57 2k0f h GLU 78 Cb 0.15 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2k0f h GLU 78 CO 0.01 1.15 -0.66 1.49 -1.18 0.00 0.00 179.01 179.82 2k0f h GLU 79 N -0.23 0.17 -0.93 1.92 4.81 -0.83 -0.32 114.58 119.18 2k0f h GLU 79 Ca -0.10 -0.13 0.17 0.00 -0.13 0.00 0.00 59.36 59.16 2k0f h GLU 79 Cb 1.43 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.74 2k0f h GLU 79 CO 0.13 0.77 0.52 1.49 -0.73 0.00 0.00 179.01 181.19 2k0f h GLU 80 N 0.12 0.68 0.00 1.92 4.81 -1.52 0.28 114.58 120.87 2k0f h GLU 80 Ca -0.01 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 80 Cb 1.18 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2k0f h GLU 80 CO 0.10 0.45 -2.12 -0.89 -0.73 0.00 0.00 179.01 175.82 2k0f n ILE 81 N -4.82 0.46 0.11 2.32 5.41 -0.88 -2.55 119.36 119.42 2k0f n ILE 81 Ca 0.20 -0.62 -0.13 0.00 1.00 0.00 0.00 62.75 63.20 2k0f n ILE 81 Cb 0.50 -0.16 -0.08 0.00 -0.71 0.00 0.00 39.64 39.20 2k0f n ILE 81 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2k0f h ARG 82 N 0.00 -0.22 0.00 0.38 2.47 -0.76 -2.47 114.38 113.78 2k0f h ARG 82 Ca -0.18 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2k0f h ARG 82 Cb 1.41 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 2k0f h ARG 82 CO 0.01 -0.06 0.00 0.93 0.56 0.00 0.00 179.97 181.41 2k0f h GLU 83 N -0.33 0.00 -0.28 0.04 4.39 -0.57 0.13 114.58 117.95 2k0f h GLU 83 Ca -0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 83 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2k0f h GLU 83 CO 0.04 0.00 -0.27 0.00 -1.16 0.00 0.00 179.01 177.62 2k0f h ALA 84 N 2.32 1.00 -0.05 3.43 0.00 -1.52 -3.05 119.26 121.40 2k0f h ALA 84 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 84 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k0f h ALA 84 CO 0.00 0.59 -0.81 0.35 0.00 0.00 0.00 179.25 179.39 2k0f h PHE 85 N 0.49 0.56 0.00 0.00 3.04 -0.32 -2.73 116.94 117.99 2k0f h PHE 85 Ca 0.07 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.75 2k0f h PHE 85 Cb 0.72 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.16 2k0f h PHE 85 CO 0.03 1.05 0.00 -2.13 -2.02 0.00 0.00 178.31 175.24 2k0f n ARG 86 N -3.80 0.13 -0.07 1.11 0.63 -0.36 -1.69 116.66 112.61 2k0f n ARG 86 Ca -0.05 0.38 -0.11 0.00 -0.92 0.00 0.00 57.85 57.15 2k0f n ARG 86 Cb 0.75 -1.75 -0.10 0.00 0.45 0.00 0.00 32.46 31.81 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.40 -0.15 5.15 2.07 -1.37 -3.41 116.25 119.94 2k0f h VAL 87 Ca 0.00 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.43 2k0f h VAL 87 Cb 0.30 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2k0f h VAL 87 CO 0.00 0.48 0.01 -0.26 0.02 0.00 0.00 177.57 177.82 2k0f h PHE 88 N -1.00 0.28 -3.26 1.57 0.04 -1.50 -3.42 116.94 109.65 2k0f h PHE 88 Ca -0.01 -0.04 -0.57 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 88 Cb 0.81 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.82 2k0f h PHE 88 CO 0.22 0.46 0.50 0.34 -0.60 0.00 0.00 178.31 179.23 2k0f s ASP 89 N -5.74 7.04 -0.13 2.17 2.15 -0.68 -4.80 116.67 116.69 2k0f s ASP 89 Ca -0.14 1.28 -0.06 0.00 0.43 0.00 0.00 52.55 54.07 2k0f s ASP 89 Cb 0.06 -2.49 -0.26 0.00 -0.30 0.00 0.00 42.92 39.93 2k0f s ASP 89 CO 0.71 -0.46 0.34 1.17 -0.17 0.00 0.00 175.17 176.76 2k0f n LYS 90 N 5.40 0.75 0.05 4.34 3.00 -1.26 -4.33 118.16 126.11 2k0f n LYS 90 Ca 0.07 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.54 2k0f n LYS 90 Cb 0.48 -1.70 -0.06 0.00 0.00 0.00 0.00 35.03 33.75 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0f h ASP 91 N 0.07 -0.20 0.00 3.14 3.04 -1.96 -3.49 116.42 117.02 2k0f h ASP 91 Ca -0.43 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.08 2k0f h ASP 91 Cb 2.03 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 40.37 2k0f h ASP 91 CO 0.08 0.36 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 2k0f n GLY 92 N 0.82 1.99 0.01 7.15 0.00 -1.26 -5.05 105.19 108.86 2k0f n GLY 92 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.53 0.00 1.61 6.94 -1.26 -5.01 115.26 118.08 2k0f n ASN 93 Ca 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 54.58 54.09 2k0f n ASN 93 Cb 0.00 1.37 0.00 0.00 -2.36 0.00 0.00 39.78 38.79 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.38 0.63 2.83 4.83 0.00 -1.26 -5.05 105.19 108.55 2k0f n GLY 94 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.09 1.66 0.01 1.61 2.02 -1.26 -3.91 117.35 115.39 2k0f s TYR 95 Ca 0.00 -1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.14 2k0f s TYR 95 Cb 0.00 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2k0f s TYR 95 CO 0.00 -0.68 1.22 0.42 -1.57 0.00 0.00 175.55 174.94 2k0f s ILE 96 N 1.64 4.08 0.45 2.71 1.01 -0.63 -4.82 121.20 125.64 2k0f s ILE 96 Ca -0.03 1.46 0.06 0.00 0.00 0.00 0.00 60.65 62.14 2k0f s ILE 96 Cb -0.18 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2k0f s ILE 96 CO -0.07 0.06 0.22 -0.94 0.00 0.00 0.00 174.94 174.21 2k0f s SER 97 N 1.29 4.46 0.13 3.58 1.04 -1.26 -1.54 113.70 121.41 2k0f s SER 97 Ca 0.58 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 2k0f s SER 97 Cb -0.28 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 2k0f s SER 97 CO 0.26 -0.69 1.58 0.00 0.98 0.00 0.00 173.24 175.37 2k0f h ALA 98 N 1.26 0.58 -1.00 5.32 0.00 -1.91 -2.90 119.26 120.61 2k0f h ALA 98 Ca -0.42 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.28 2k0f h ALA 98 Cb 1.27 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2k0f h ALA 98 CO 0.67 0.36 0.65 0.00 0.00 0.00 0.00 179.25 180.93 2k0f h ALA 99 N 0.90 1.34 -0.01 0.00 0.00 -1.97 0.28 119.26 119.80 2k0f h ALA 99 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2k0f h ALA 99 Cb 0.48 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 99 CO 0.02 0.52 -0.58 0.93 0.00 0.00 0.00 179.25 180.14 2k0f h GLU 100 N 1.24 0.03 0.10 0.00 5.08 -1.90 -2.77 114.58 116.35 2k0f h GLU 100 Ca 0.41 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 100 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k0f h GLU 100 CO -0.14 0.60 -1.40 1.25 -1.00 0.00 0.00 179.01 178.32 2k0f h LEU 101 N 0.02 0.34 -0.71 1.33 5.85 -0.98 -2.13 115.31 119.02 2k0f h LEU 101 Ca -0.01 -0.43 0.15 0.00 0.84 0.00 0.00 57.88 58.44 2k0f h LEU 101 Cb 1.03 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 2k0f h LEU 101 CO 0.08 1.35 0.12 -0.09 -0.34 0.00 0.00 178.44 179.56 2k0f h ARG 102 N 0.06 0.21 0.64 1.25 2.43 -0.42 -2.50 114.38 116.04 2k0f h ARG 102 Ca -0.19 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2k0f h ARG 102 Cb 1.98 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2k0f h ARG 102 CO 0.17 0.14 -0.31 1.25 -1.51 0.00 0.00 179.97 179.71 2k0f h HIS 103 N 0.22 -0.79 0.00 2.20 2.76 -1.35 -3.22 115.15 114.97 2k0f h HIS 103 Ca 0.39 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 2k0f h HIS 103 Cb 0.67 0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.89 2k0f h HIS 103 CO -0.30 -0.49 -0.15 -0.24 -1.30 0.00 0.00 177.93 175.44 2k0f h VAL 104 N -1.23 0.87 -0.12 5.26 3.04 -1.44 -1.32 116.25 121.31 2k0f h VAL 104 Ca -0.09 -0.57 -0.12 0.00 -1.01 0.00 0.00 66.70 64.91 2k0f h VAL 104 Cb 0.66 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 2k0f h VAL 104 CO 0.14 0.15 -0.45 0.24 -1.01 0.00 0.00 177.57 176.65 2k0f h MET 105 N 0.00 0.29 0.14 4.17 2.07 -1.58 -0.10 114.93 119.93 2k0f h MET 105 Ca -0.00 -0.15 -0.27 0.00 -2.07 0.00 0.00 59.70 57.20 2k0f h MET 105 Cb 0.32 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 30.08 2k0f h MET 105 CO 0.02 0.69 -1.16 1.15 1.07 0.00 0.00 176.91 178.68 2k0f h THR 106 N 0.24 1.34 -0.31 2.22 2.02 -1.47 0.23 112.91 117.17 2k0f h THR 106 Ca 0.02 -2.48 0.05 0.00 0.77 0.00 0.00 66.41 64.77 2k0f h THR 106 Cb 0.89 2.85 -0.05 0.00 -1.74 0.00 0.00 68.15 70.09 2k0f h THR 106 CO 0.07 0.74 0.01 0.78 0.37 0.00 0.00 175.52 177.49 2k0f h ASN 107 N 0.10 -0.11 0.12 4.18 2.35 -1.27 -3.12 115.58 117.83 2k0f h ASN 107 Ca -0.18 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 2k0f h ASN 107 Cb 1.86 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 40.34 2k0f h ASN 107 CO 0.22 -0.02 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.54 2k0f h LEU 108 N 0.10 0.37 0.00 1.61 3.38 -0.98 -3.44 115.31 116.34 2k0f h LEU 108 Ca 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 108 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k0f h LEU 108 CO -0.24 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2k0f n GLY 109 N -0.20 0.66 3.93 0.83 0.00 -0.20 -4.96 105.19 105.24 2k0f n GLY 109 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.32 -0.40 1.61 0.41 0.63 -4.98 118.70 119.28 2k0f s GLU 110 Ca 0.00 -0.78 -0.05 0.00 -0.41 0.00 0.00 54.97 53.74 2k0f s GLU 110 Cb 0.00 -2.84 0.09 0.00 -1.78 0.00 0.00 34.13 29.61 2k0f s GLU 110 CO 0.00 0.45 0.19 0.15 -0.49 0.00 0.00 175.26 175.57 2k0f s LYS 111 N -3.70 2.23 0.16 1.61 1.02 -1.26 -3.92 119.74 115.88 2k0f s LYS 111 Ca 0.34 -1.65 0.04 0.00 0.02 0.00 0.00 55.97 54.72 2k0f s LYS 111 Cb -0.09 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2k0f s LYS 111 CO 0.28 -0.98 0.21 -0.51 -0.92 0.00 0.00 175.35 173.43 2k0f s LEU 112 N 1.24 4.06 0.48 3.17 1.02 -1.26 -5.12 118.68 122.27 2k0f s LEU 112 Ca 0.05 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.24 2k0f s LEU 112 Cb -0.23 -2.65 0.02 0.00 0.02 0.00 0.00 46.19 43.35 2k0f s LEU 112 CO -0.02 0.05 0.67 0.42 0.02 0.00 0.00 176.35 177.50 2k0f s THR 113 N -1.77 3.00 0.10 5.49 -4.23 -1.26 -4.93 115.64 112.04 2k0f s THR 113 Ca 0.33 -0.78 0.14 0.00 -1.18 0.00 0.00 61.69 60.20 2k0f s THR 113 Cb -0.10 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2k0f s THR 113 CO 0.26 -0.04 1.57 0.44 -0.54 0.00 0.00 174.62 176.31 2k0f h ASP 114 N 0.35 0.00 1.64 3.99 3.32 -2.00 0.18 116.42 123.90 2k0f h ASP 114 Ca -0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2k0f h ASP 114 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2k0f h ASP 114 CO 0.50 0.55 -0.20 1.05 -1.72 0.00 0.00 179.24 179.42 2k0f h GLU 115 N 0.00 0.00 0.15 3.56 4.11 -1.98 -2.05 114.58 118.37 2k0f h GLU 115 Ca -0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2k0f h GLU 115 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2k0f h GLU 115 CO 0.07 0.20 -1.73 1.49 0.07 0.00 0.00 179.01 179.11 2k0f h GLU 116 N 0.00 0.33 -0.91 1.06 4.81 -1.78 -2.75 114.58 115.33 2k0f h GLU 116 Ca -0.00 -0.56 0.10 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 116 Cb 1.08 0.21 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 2k0f h GLU 116 CO 0.03 1.27 -0.53 0.28 -0.73 0.00 0.00 179.01 179.32 2k0f h VAL 117 N -0.01 0.01 -0.09 0.32 2.07 -0.70 -1.52 116.25 116.32 2k0f h VAL 117 Ca -0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.20 2k0f h VAL 117 Cb 2.00 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2k0f h VAL 117 CO 0.12 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 176.72 2k0f h ASP 118 N -0.06 -0.64 -0.47 0.57 3.58 -1.49 -1.28 116.42 116.63 2k0f h ASP 118 Ca 0.20 0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.88 2k0f h ASP 118 Cb 0.48 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 2k0f h ASP 118 CO -0.90 -0.27 0.40 -0.08 -2.88 0.00 0.00 179.24 175.52 2k0f h GLU 119 N -0.29 0.00 0.19 0.28 4.57 -1.29 0.14 114.58 118.19 2k0f h GLU 119 Ca 0.09 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.97 2k0f h GLU 119 Cb 0.41 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 2k0f h GLU 119 CO -0.26 0.00 -1.40 1.98 -1.18 0.00 0.00 179.01 178.15 2k0f h MET 120 N 0.00 0.41 -0.05 1.92 4.05 -1.04 -1.06 114.93 119.15 2k0f h MET 120 Ca 0.22 -0.70 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 2k0f h MET 120 Cb 1.02 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 2k0f h MET 120 CO -0.00 1.33 -0.01 0.82 0.23 0.00 0.00 176.91 179.28 2k0f h ILE 121 N -0.05 0.94 -0.88 1.77 1.08 -0.76 -2.83 117.51 116.79 2k0f h ILE 121 Ca -0.26 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2k0f h ILE 121 Cb 1.98 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 36.63 2k0f h ILE 121 CO 0.19 0.00 0.58 -0.09 -0.69 0.00 0.00 178.15 178.14 2k0f h ARG 122 N -0.00 1.12 -0.97 2.37 2.43 -0.81 -2.21 114.38 116.30 2k0f h ARG 122 Ca 0.03 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 122 Cb 0.04 -0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 29.27 2k0f h ARG 122 CO -0.06 0.74 0.62 1.49 -1.51 0.00 0.00 179.97 181.25 2k0f h GLU 123 N 1.15 1.06 0.00 0.20 4.81 -1.16 -2.64 114.58 118.00 2k0f h GLU 123 Ca 0.33 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 123 Cb -0.08 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.06 2k0f h GLU 123 CO -0.09 0.70 -0.73 0.00 -0.73 0.00 0.00 179.01 178.16 2k0f h ALA 124 N 1.46 0.55 -2.30 2.92 0.00 -1.17 -3.46 119.26 117.27 2k0f h ALA 124 Ca 0.44 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.76 2k0f h ALA 124 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2k0f h ALA 124 CO -0.20 0.00 0.48 0.34 0.00 0.00 0.00 179.25 179.87 2k0f s ASP 125 N -4.57 6.93 -0.26 0.00 2.15 -0.88 -4.79 116.67 115.25 2k0f s ASP 125 Ca 0.04 1.15 -0.15 0.00 0.43 0.00 0.00 52.55 54.02 2k0f s ASP 125 Cb 0.12 -2.46 -0.13 0.00 -0.30 0.00 0.00 42.92 40.15 2k0f s ASP 125 CO 0.74 -0.48 -0.26 -0.38 -0.17 0.00 0.00 175.17 174.62 2k0f n ILE 126 N 5.01 1.53 0.00 4.11 2.08 -1.26 -4.80 119.36 126.03 2k0f n ILE 126 Ca 0.06 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.08 2k0f n ILE 126 Cb 0.48 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.43 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 -4.30 0.00 0.00 4.38 5.68 -1.26 -4.96 116.55 116.09 2k0f n ASP 127 Ca -0.48 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 2k0f n ASP 127 Cb 0.83 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 -0.78 0.00 0.18 6.12 0.00 -1.26 -5.05 105.19 104.39 2k0f n GLY 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.59 0.00 1.61 2.03 -1.96 -3.47 116.42 115.22 2k0f h ASP 129 Ca 0.00 -0.48 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2k0f h ASP 129 Cb 0.00 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.33 2k0f h ASP 129 CO 0.00 0.95 0.00 0.61 -1.03 0.00 0.00 179.24 179.77 2k0f n GLY 130 N 0.20 0.65 2.98 7.15 0.00 -1.26 -5.12 105.19 109.78 2k0f n GLY 130 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.35 -0.46 1.61 -0.21 -1.26 -4.80 119.66 114.89 2k0f s GLN 131 Ca 0.00 -0.40 -0.20 0.00 0.02 0.00 0.00 55.36 54.77 2k0f s GLN 131 Cb 0.00 -0.20 0.03 0.00 1.00 0.00 0.00 33.01 33.84 2k0f s GLN 131 CO 0.00 0.04 0.63 0.08 -2.12 0.00 0.00 175.29 173.92 2k0f s VAL 132 N -0.73 4.85 0.72 1.09 1.01 -0.59 -4.87 120.40 121.88 2k0f s VAL 132 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2k0f s VAL 132 Cb -0.06 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.22 2k0f s VAL 132 CO -0.00 -0.64 1.00 0.54 0.00 0.00 0.00 175.10 176.00 2k0f s ASN 133 N 2.16 4.41 0.22 3.32 2.20 -1.26 -1.60 114.94 124.38 2k0f s ASN 133 Ca 0.20 -0.11 -0.11 0.00 -0.94 0.00 0.00 52.86 51.90 2k0f s ASN 133 Cb -0.15 -0.35 0.29 0.00 -2.00 0.00 0.00 41.25 39.03 2k0f s ASN 133 CO 0.17 -1.82 1.65 0.22 -2.94 0.00 0.00 177.10 174.37 2k0f h TYR 134 N -0.59 -0.15 -0.28 1.54 3.20 -1.98 -0.93 116.97 117.77 2k0f h TYR 134 Ca -0.39 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.52 2k0f h TYR 134 Cb 1.27 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 2k0f h TYR 134 CO -0.15 -0.22 0.16 0.93 -1.64 0.00 0.00 178.16 177.24 2k0f h GLU 135 N 0.07 0.38 -0.00 1.82 5.08 -1.95 -0.03 114.58 119.95 2k0f h GLU 135 Ca 0.32 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2k0f h GLU 135 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k0f h GLU 135 CO -0.59 0.29 -0.08 0.39 -1.00 0.00 0.00 179.01 178.02 2k0f n GLU 136 N -4.46 0.43 -0.09 2.33 1.02 -0.59 -2.45 120.64 116.84 2k0f n GLU 136 Ca 0.01 -0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 2k0f n GLU 136 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 2k0f n GLU 136 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k0f n PHE 137 N -1.21 0.48 -0.22 -0.32 7.35 -0.45 -4.36 117.46 118.74 2k0f n PHE 137 Ca 0.13 0.12 -0.09 0.00 -0.76 0.00 0.00 57.45 56.85 2k0f n PHE 137 Cb 0.28 -1.06 0.03 0.00 0.35 0.00 0.00 39.48 39.07 2k0f n PHE 137 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k0f h VAL 138 N -0.20 1.26 -0.07 -2.13 2.07 -1.09 -3.35 116.25 112.74 2k0f h VAL 138 Ca -0.53 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 2k0f h VAL 138 Cb 1.85 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2k0f h VAL 138 CO -0.09 0.41 -0.09 -0.61 0.02 0.00 0.00 177.57 177.21 2k0f h GLN 139 N 0.97 0.11 0.00 1.57 4.15 -1.68 -0.52 115.11 119.70 2k0f h GLN 139 Ca 0.18 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2k0f h GLN 139 Cb 0.52 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2k0f h GLN 139 CO 0.03 0.20 0.00 -1.33 -1.93 0.00 0.00 178.83 175.80 2k0f n MET 140 N -4.38 0.14 0.00 1.69 2.81 -1.26 -3.95 117.12 112.18 2k0f n MET 140 Ca -0.02 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 2k0f n MET 140 Cb 0.20 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 2k0f n MET 140 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2k0f n MET 141 N -2.00 2.18 0.00 0.03 2.81 -0.26 -4.71 117.12 115.17 2k0f n MET 141 Ca 0.03 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 2k0f n MET 141 Cb 0.25 -0.79 0.81 0.00 -0.71 0.00 0.00 33.22 32.78 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73