#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 -2.82 1.02 -1.26 -4.97 120.64 108.60 2k0f n GLU 2 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2k0f n GLU 2 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k0f s GLU 3 N 0.39 1.99 -0.10 3.49 2.02 -1.26 -5.00 118.70 120.22 2k0f s GLU 3 Ca 0.00 -1.16 0.08 0.00 0.02 0.00 0.00 54.97 53.91 2k0f s GLU 3 Cb 0.00 -2.73 -0.24 0.00 0.10 0.00 0.00 34.13 31.27 2k0f s GLU 3 CO 0.00 -0.56 0.44 0.94 0.02 0.00 0.00 175.26 176.10 2k0f n GLN 4 N 4.55 0.67 0.05 1.61 -0.06 -1.26 -3.27 117.38 119.68 2k0f n GLN 4 Ca -0.13 0.23 -0.12 0.00 -2.00 0.00 0.00 57.00 54.98 2k0f n GLN 4 Cb 0.43 -1.72 -0.07 0.00 -4.06 0.00 0.00 30.24 24.82 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k0f h ILE 5 N 0.02 1.01 -1.04 1.69 1.08 -2.00 -2.41 117.51 115.86 2k0f h ILE 5 Ca -0.38 -0.14 0.27 0.00 -0.39 0.00 0.00 64.86 64.22 2k0f h ILE 5 Cb 2.05 1.10 -0.10 0.00 -3.07 0.00 0.00 36.82 36.80 2k0f h ILE 5 CO 0.06 0.04 0.66 0.00 -0.69 0.00 0.00 178.15 178.22 2k0f h ALA 6 N 0.85 2.18 0.00 1.87 0.00 -1.99 0.83 119.26 123.00 2k0f h ALA 6 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 6 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k0f h ALA 6 CO 0.01 -0.60 -0.81 1.49 0.00 0.00 0.00 179.25 179.33 2k0f h GLU 7 N 0.41 0.00 -0.18 0.00 4.81 -1.46 0.69 114.58 118.84 2k0f h GLU 7 Ca 0.61 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 7 Cb 1.50 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.88 2k0f h GLU 7 CO -0.33 0.81 -0.73 0.74 -0.73 0.00 0.00 179.01 178.77 2k0f h PHE 8 N 0.00 1.09 -0.02 0.92 0.04 -0.45 -1.73 116.94 116.79 2k0f h PHE 8 Ca -0.01 -0.46 0.02 0.00 2.80 0.00 0.00 57.97 60.32 2k0f h PHE 8 Cb 1.57 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 39.48 2k0f h PHE 8 CO 0.00 1.30 -0.54 -0.22 -0.60 0.00 0.00 178.31 178.25 2k0f h LYS 9 N 0.58 -0.64 -0.21 1.51 3.64 -0.88 -0.60 116.57 119.96 2k0f h LYS 9 Ca -0.04 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2k0f h LYS 9 Cb 1.36 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 2k0f h LYS 9 CO 0.15 -0.43 -0.01 0.93 -2.27 0.00 0.00 179.45 177.83 2k0f h GLU 10 N -0.67 0.31 -0.20 1.90 5.08 -0.93 -2.77 114.58 117.30 2k0f h GLU 10 Ca 0.01 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2k0f h GLU 10 Cb 0.72 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k0f h GLU 10 CO -0.37 0.35 -0.55 0.00 -1.00 0.00 0.00 179.01 177.43 2k0f h ALA 11 N 1.69 0.65 -0.49 3.43 0.00 -0.92 -2.10 119.26 121.52 2k0f h ALA 11 Ca 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2k0f h ALA 11 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 11 CO 0.01 0.69 0.07 0.35 0.00 0.00 0.00 179.25 180.36 2k0f h PHE 12 N 0.47 0.88 0.00 0.00 3.57 -1.02 -2.96 116.94 117.88 2k0f h PHE 12 Ca 0.01 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 2k0f h PHE 12 Cb 1.11 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2k0f h PHE 12 CO 0.05 0.81 -0.04 0.77 -2.23 0.00 0.00 178.31 177.67 2k0f h SER 13 N 0.70 0.00 -0.77 0.41 0.02 -1.48 0.19 113.55 112.61 2k0f h SER 13 Ca 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2k0f h SER 13 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2k0f h SER 13 CO 0.01 0.04 0.43 0.25 -1.14 0.00 0.00 176.83 176.41 2k0f h LEU 14 N 0.00 0.97 0.00 5.07 5.85 -1.20 -3.26 115.31 122.75 2k0f h LEU 14 Ca -0.00 -0.08 -0.28 0.00 0.84 0.00 0.00 57.88 58.36 2k0f h LEU 14 Cb 0.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2k0f h LEU 14 CO 0.00 0.78 -1.53 0.49 -0.34 0.00 0.00 178.44 177.85 2k0f n PHE 15 N -4.35 0.83 -2.53 1.25 3.72 -1.13 -4.82 117.46 110.42 2k0f n PHE 15 Ca 0.08 0.35 -0.43 0.00 -0.05 0.00 0.00 57.45 57.40 2k0f n PHE 15 Cb 0.10 -1.08 -0.02 0.00 -0.94 0.00 0.00 39.48 37.54 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 -6.98 7.00 0.10 4.37 2.15 0.65 -4.81 116.67 119.15 2k0f s ASP 16 Ca -0.31 1.53 0.08 0.00 0.43 0.00 0.00 52.55 54.28 2k0f s ASP 16 Cb 0.08 -2.54 -0.21 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 16 CO 0.58 -0.73 1.21 0.11 -0.17 0.00 0.00 175.17 176.16 2k0f h LYS 17 N 7.90 0.00 -0.05 4.34 1.57 -1.88 -3.23 116.57 125.22 2k0f h LYS 17 Ca -0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2k0f h LYS 17 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 2k0f h LYS 17 CO 0.98 0.94 -0.08 -0.44 -0.57 0.00 0.00 179.45 180.28 2k0f h ASP 18 N 0.00 0.15 -2.65 0.86 3.32 -1.91 -3.49 116.42 112.70 2k0f h ASP 18 Ca -0.04 -0.54 -0.07 0.00 0.02 0.00 0.00 57.03 56.40 2k0f h ASP 18 Cb 1.79 -0.04 0.03 0.00 0.22 0.00 0.00 39.33 41.33 2k0f h ASP 18 CO 0.12 0.66 -0.15 0.61 -1.72 0.00 0.00 179.24 178.76 2k0f n GLY 19 N 0.36 0.32 0.08 2.75 0.00 -1.22 -5.02 105.19 102.46 2k0f n GLY 19 Ca -0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.20 1.38 0.00 1.61 5.75 -1.26 -5.01 116.55 117.81 2k0f n ASP 20 Ca -0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2k0f n ASP 20 Cb 0.53 0.75 0.00 0.00 -1.03 0.00 0.00 41.12 41.37 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 2.12 1.06 3.12 6.12 0.00 -1.26 -5.11 105.19 111.24 2k0f n GLY 21 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.67 2.25 -0.42 2.61 -4.23 -1.26 -3.94 115.64 108.97 2k0f s THR 22 Ca 0.00 -1.18 -0.28 0.00 -1.18 0.00 0.00 61.69 59.04 2k0f s THR 22 Cb 0.00 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2k0f s THR 22 CO 0.00 0.29 1.53 -0.63 -0.54 0.00 0.00 174.62 175.27 2k0f s ILE 23 N 1.23 3.76 0.79 2.99 1.01 0.21 -4.83 121.20 126.36 2k0f s ILE 23 Ca -0.01 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 2k0f s ILE 23 Cb -0.16 -4.08 0.16 0.00 0.01 0.00 0.00 42.46 38.39 2k0f s ILE 23 CO -0.09 -0.72 1.09 0.42 0.00 0.00 0.00 174.94 175.64 2k0f s THR 24 N 6.02 2.03 0.20 2.92 -4.23 -1.26 -1.23 115.64 120.09 2k0f s THR 24 Ca 0.65 -0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.62 2k0f s THR 24 Cb -0.15 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2k0f s THR 24 CO 0.32 0.00 1.62 0.74 -0.54 0.00 0.00 174.62 176.76 2k0f h THR 25 N -0.84 1.27 -0.08 3.99 2.02 -1.98 0.69 112.91 117.98 2k0f h THR 25 Ca -0.37 -1.30 -0.19 0.00 0.77 0.00 0.00 66.41 65.32 2k0f h THR 25 Cb 1.25 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2k0f h THR 25 CO 0.37 0.44 -0.71 0.50 0.37 0.00 0.00 175.52 176.49 2k0f h LYS 26 N 0.76 0.62 0.11 6.66 3.64 -1.98 -0.87 116.57 125.52 2k0f h LYS 26 Ca 0.11 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 2k0f h LYS 26 Cb 0.70 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2k0f h LYS 26 CO 0.05 1.18 -0.05 0.93 -2.27 0.00 0.00 179.45 179.29 2k0f h GLU 27 N 0.26 -0.14 -0.58 1.90 5.08 -1.93 -1.42 114.58 117.75 2k0f h GLU 27 Ca -0.07 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2k0f h GLU 27 Cb 1.36 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2k0f h GLU 27 CO 0.14 -0.08 0.17 1.25 -1.00 0.00 0.00 179.01 179.49 2k0f h LEU 28 N -0.16 0.86 -0.68 1.33 5.85 -0.90 -2.50 115.31 119.10 2k0f h LEU 28 Ca -0.01 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 28 Cb 0.12 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2k0f h LEU 28 CO 0.02 0.85 0.38 1.23 -0.34 0.00 0.00 178.44 180.58 2k0f h GLY 29 N 0.82 1.01 0.78 3.75 0.00 -0.99 0.25 103.07 108.69 2k0f h GLY 29 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2k0f h GLY 29 CO -0.00 0.16 -0.07 -0.84 0.00 0.00 0.00 176.54 175.79 2k0f h THR 30 N 0.70 0.97 0.30 4.70 2.02 -1.19 -1.51 112.91 118.91 2k0f h THR 30 Ca 0.31 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2k0f h THR 30 Cb 0.19 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2k0f h THR 30 CO -0.18 0.11 -0.38 0.58 0.37 0.00 0.00 175.52 176.02 2k0f h VAL 31 N -0.41 0.22 -0.29 3.16 2.07 -1.14 -2.01 116.25 117.85 2k0f h VAL 31 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2k0f h VAL 31 Cb 0.33 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2k0f h VAL 31 CO 0.03 0.00 0.13 0.24 0.02 0.00 0.00 177.57 177.99 2k0f h MET 32 N -0.73 0.27 -0.30 1.57 2.86 -0.17 -2.51 114.93 115.92 2k0f h MET 32 Ca -0.01 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2k0f h MET 32 Cb 0.68 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 32 CO -0.11 0.18 0.03 0.00 1.06 0.00 0.00 176.91 178.06 2k0f h ARG 33 N 0.27 0.52 -0.42 1.72 3.08 -1.32 -1.14 114.38 117.10 2k0f h ARG 33 Ca 0.12 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2k0f h ARG 33 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2k0f h ARG 33 CO -0.10 0.64 -0.02 1.03 -1.07 0.00 0.00 179.97 180.45 2k0f h SER 34 N 0.33 0.66 0.57 7.04 0.87 -0.94 -2.17 113.55 119.91 2k0f h SER 34 Ca 0.09 -0.15 -0.28 0.00 -1.23 0.00 0.00 61.79 60.21 2k0f h SER 34 Cb 0.39 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2k0f h SER 34 CO 0.01 0.74 -1.49 -0.07 -0.53 0.00 0.00 176.83 175.49 2k0f h LEU 35 N 0.65 0.19 0.00 2.23 4.07 -1.58 -3.47 115.31 117.39 2k0f h LEU 35 Ca 0.13 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2k0f h LEU 35 Cb 0.43 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2k0f h LEU 35 CO 0.02 1.24 0.00 0.61 -1.08 0.00 0.00 178.44 179.23 2k0f n GLY 36 N 1.58 0.96 0.00 0.83 0.00 -0.43 -5.01 105.19 103.12 2k0f n GLY 36 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k0f n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k0f n GLN 37 N 0.00 0.00 -3.71 1.61 6.02 -1.25 -4.91 117.38 115.14 2k0f n GLN 37 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2k0f n GLN 37 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2k0f n GLN 37 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2k0f s ASN 38 N 1.00 3.55 0.90 1.08 -0.87 -1.26 -4.44 114.94 114.90 2k0f s ASN 38 Ca 0.00 -3.09 -0.12 0.00 -1.57 0.00 0.00 52.86 48.07 2k0f s ASN 38 Cb 0.00 -1.11 0.13 0.00 -0.02 0.00 0.00 41.25 40.25 2k0f s ASN 38 CO 0.00 -0.19 1.13 -2.16 -2.57 0.00 0.00 177.10 173.31 2k0f s PRO 39 N -0.26 1.27 0.17 -0.60 0.04 -1.26 -5.08 135.00 129.27 2k0f s PRO 39 Ca 0.23 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2k0f s PRO 39 Cb -0.13 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k0f s PRO 39 CO -0.09 -2.13 0.32 0.95 0.04 0.00 0.00 177.00 176.09 2k0f s THR 40 N -3.24 5.29 0.24 1.26 -4.23 -1.26 -4.99 115.64 108.70 2k0f s THR 40 Ca 0.63 -0.64 0.12 0.00 -1.18 0.00 0.00 61.69 60.63 2k0f s THR 40 Cb -0.15 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.95 2k0f s THR 40 CO 0.54 -0.14 1.63 1.05 -0.54 0.00 0.00 174.62 177.16 2k0f h GLU 41 N 2.00 0.00 -0.51 3.99 9.09 -1.98 -2.12 114.58 125.05 2k0f h GLU 41 Ca -0.49 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.02 2k0f h GLU 41 Cb 1.20 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.21 2k0f h GLU 41 CO 0.68 0.57 -0.03 0.00 0.05 0.00 0.00 179.01 180.27 2k0f h ALA 42 N 1.43 0.45 0.00 1.06 0.00 -1.99 -0.16 119.26 120.05 2k0f h ALA 42 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2k0f h ALA 42 Cb 1.07 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 42 CO 0.07 -0.40 -0.47 0.39 0.00 0.00 0.00 179.25 178.84 2k0f n GLU 43 N -5.27 0.29 -0.03 0.00 -0.58 -1.13 -2.23 120.64 111.70 2k0f n GLU 43 Ca 0.06 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 2k0f n GLU 43 Cb 0.28 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.34 2k0f n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k0f h LEU 44 N 0.00 0.12 -0.95 -4.62 5.85 -1.08 -2.76 115.31 111.87 2k0f h LEU 44 Ca 0.00 -0.48 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 2k0f h LEU 44 Cb 0.74 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2k0f h LEU 44 CO 0.00 0.57 -0.13 1.56 -0.34 0.00 0.00 178.44 180.10 2k0f h GLN 45 N -0.33 0.61 0.08 1.25 4.20 -1.04 -1.70 115.11 118.18 2k0f h GLN 45 Ca 0.01 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2k0f h GLN 45 Cb 0.54 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2k0f h GLN 45 CO 0.01 0.73 -0.04 0.22 -0.67 0.00 0.00 178.83 179.08 2k0f h ASP 46 N 0.56 -0.10 -0.50 1.46 3.58 -1.53 -2.24 116.42 117.65 2k0f h ASP 46 Ca 0.10 -0.19 0.10 0.00 0.42 0.00 0.00 57.03 57.46 2k0f h ASP 46 Cb 0.56 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 41.54 2k0f h ASP 46 CO 0.04 0.14 -0.11 -0.03 -2.88 0.00 0.00 179.24 176.39 2k0f h MET 47 N -0.33 0.01 0.02 0.28 4.05 -1.36 -2.64 114.93 114.96 2k0f h MET 47 Ca -0.01 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2k0f h MET 47 Cb 0.28 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2k0f h MET 47 CO 0.02 0.01 -0.01 0.82 0.23 0.00 0.00 176.91 177.98 2k0f h ILE 48 N 0.01 1.40 0.00 1.77 2.04 -1.18 -2.99 117.51 118.57 2k0f h ILE 48 Ca 0.24 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2k0f h ILE 48 Cb 0.37 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2k0f h ILE 48 CO -0.51 0.34 0.00 0.59 0.00 0.00 0.00 178.15 178.57 2k0f n ASN 49 N -4.83 0.00 -0.12 1.72 5.03 -0.85 -1.17 115.26 115.04 2k0f n ASN 49 Ca -0.09 0.35 -0.12 0.00 0.87 0.00 0.00 54.58 55.59 2k0f n ASN 49 Cb 0.28 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2k0f h GLU 50 N 0.00 0.72 0.00 3.52 4.81 -1.31 -3.38 114.58 118.93 2k0f h GLU 50 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 50 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2k0f h GLU 50 CO 0.00 0.91 -1.64 1.33 -0.73 0.00 0.00 179.01 178.87 2k0f n VAL 51 N -4.34 0.18 -1.71 0.32 0.24 -0.32 -4.90 118.33 107.81 2k0f n VAL 51 Ca -0.02 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 2k0f n VAL 51 Cb 0.39 -0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k0f n ASP 52 N -2.34 2.87 0.00 -1.34 2.03 -0.71 -4.72 116.55 112.35 2k0f n ASP 52 Ca -0.02 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2k0f n ASP 52 Cb 0.55 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 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 0.23 2.58 0.22 -1.67 0.00 -1.26 -4.89 120.51 115.71 2k0f n ALA 53 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2k0f n ALA 53 Cb 0.37 0.44 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.62 0.00 0.00 3.04 -1.94 -3.48 116.42 113.42 2k0f h ASP 54 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2k0f h ASP 54 Cb 0.88 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 2k0f h ASP 54 CO 0.00 -0.38 0.00 0.61 -2.04 0.00 0.00 179.24 177.43 2k0f n GLY 55 N -1.37 0.71 0.07 7.15 0.00 -1.26 -5.03 105.19 105.45 2k0f n GLY 55 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.06 0.00 1.61 7.08 -1.99 -3.48 115.58 118.87 2k0f h ASN 56 Ca 0.00 -0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 2k0f h ASN 56 Cb 0.00 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.22 2k0f h ASN 56 CO 0.00 1.07 0.00 0.61 -2.08 0.00 0.00 177.43 177.03 2k0f n GLY 57 N 1.45 0.51 3.56 9.14 0.00 -1.26 -5.08 105.19 113.52 2k0f n GLY 57 Ca -0.07 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 3.16 -0.14 2.61 -4.23 -1.26 -4.73 115.64 109.04 2k0f s THR 58 Ca 0.00 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2k0f s THR 58 Cb 0.00 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2k0f s THR 58 CO 0.00 -0.12 1.14 -0.63 -0.54 0.00 0.00 174.62 174.48 2k0f s ILE 59 N -1.72 4.47 0.49 2.99 1.01 -0.37 -4.73 121.20 123.35 2k0f s ILE 59 Ca 0.25 1.78 0.07 0.00 0.00 0.00 0.00 60.65 62.74 2k0f s ILE 59 Cb -0.09 -4.14 0.07 0.00 0.01 0.00 0.00 42.46 38.30 2k0f s ILE 59 CO 0.15 -0.09 0.54 0.47 0.00 0.00 0.00 174.94 176.01 2k0f n ASP 60 N 5.88 2.13 0.28 3.58 9.92 -1.26 -0.62 116.55 136.45 2k0f n ASP 60 Ca 0.12 -2.46 -0.16 0.00 -0.53 0.00 0.00 54.79 51.76 2k0f n ASP 60 Cb 0.46 -0.22 -0.08 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.34 -0.63 0.00 1.24 3.57 -1.96 0.36 116.94 119.86 2k0f h PHE 61 Ca -0.26 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 2k0f h PHE 61 Cb 1.08 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2k0f h PHE 61 CO 0.00 -0.34 -0.16 -1.00 -2.23 0.00 0.00 178.31 174.58 2k0f h PRO 62 N -0.78 0.00 0.16 6.41 0.13 -1.97 -1.57 132.00 134.37 2k0f h PRO 62 Ca -0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 2k0f h PRO 62 Cb 0.57 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 2k0f h PRO 62 CO 0.11 0.16 -1.29 0.93 -0.23 0.00 0.00 178.00 177.68 2k0f h GLU 63 N 0.00 0.33 -0.27 0.86 5.08 -1.79 -2.45 114.58 116.35 2k0f h GLU 63 Ca -0.00 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 57.74 2k0f h GLU 63 Cb 0.42 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 63 CO 0.02 1.27 -0.08 0.35 -1.00 0.00 0.00 179.01 179.58 2k0f h PHE 64 N 0.09 0.45 -0.01 4.33 3.57 0.50 -3.05 116.94 122.82 2k0f h PHE 64 Ca -0.16 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 64 Cb 2.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.61 2k0f h PHE 64 CO 0.08 0.50 -0.78 -0.07 -2.23 0.00 0.00 178.31 175.82 2k0f h LEU 65 N 0.41 0.15 -2.24 0.59 3.38 -1.14 0.11 115.31 116.56 2k0f h LEU 65 Ca 0.08 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2k0f h LEU 65 Cb 0.39 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k0f h LEU 65 CO 0.02 0.87 0.08 0.00 0.09 0.00 0.00 178.44 179.50 2k0f h THR 66 N 0.08 0.65 0.03 0.22 1.03 -1.34 0.66 112.91 114.24 2k0f h THR 66 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.04 2k0f h THR 66 Cb 1.36 0.94 -0.04 0.00 -1.07 0.00 0.00 68.15 69.33 2k0f h THR 66 CO 0.11 0.00 -1.85 0.80 -0.01 0.00 0.00 175.52 174.57 2k0f n MET 67 N -4.06 0.63 -0.04 0.00 0.00 -1.16 -4.23 117.12 108.25 2k0f n MET 67 Ca -0.01 0.39 -0.14 0.00 -0.00 0.00 0.00 57.70 57.94 2k0f n MET 67 Cb 0.19 -1.66 -0.12 0.00 0.00 0.00 0.00 33.22 31.63 2k0f n MET 67 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 2k0f h MET 68 N -0.63 0.03 -0.00 2.12 1.85 -0.59 -3.39 114.93 114.32 2k0f h MET 68 Ca -0.47 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 2k0f h MET 68 Cb 1.61 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.65 2k0f h MET 68 CO -0.17 0.80 -0.50 0.00 -0.40 0.00 0.00 176.91 176.64 2k0f n ALA 69 N -2.50 3.60 -2.69 0.39 0.00 0.21 -4.59 120.51 114.93 2k0f n ALA 69 Ca -0.09 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.52 2k0f n ALA 69 Cb 0.40 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.76 4.20 0.43 0.00 3.52 -1.18 -5.03 118.95 118.14 2k0f s ARG 70 Ca 0.16 0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.78 2k0f s ARG 70 Cb 0.18 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 2k0f s ARG 70 CO 0.65 0.10 0.75 -1.59 -0.81 0.00 0.00 175.30 174.40 2k0f s LYS 71 N 0.90 3.64 0.46 5.12 -2.85 -1.26 -4.82 119.74 120.93 2k0f s LYS 71 Ca 0.16 0.27 0.03 0.00 -1.00 0.00 0.00 55.97 55.44 2k0f s LYS 71 Cb -0.14 -2.41 0.01 0.00 -2.06 0.00 0.00 37.83 33.23 2k0f s LYS 71 CO 0.06 -0.10 0.65 -1.64 0.10 0.00 0.00 175.35 174.42 2k0f s MET 72 N -4.28 2.84 0.88 1.78 -1.94 -1.26 -5.12 119.30 112.19 2k0f s MET 72 Ca 0.48 -0.84 -0.13 0.00 -1.71 0.00 0.00 55.69 53.49 2k0f s MET 72 Cb -0.10 -2.62 0.13 0.00 2.01 0.00 0.00 34.83 34.24 2k0f s MET 72 CO 0.38 -0.37 1.21 0.15 -0.01 0.00 0.00 175.02 176.38 2k0f s LYS 73 N -4.52 1.36 0.32 2.03 1.02 -1.26 -4.83 119.74 113.85 2k0f s LYS 73 Ca 0.52 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.53 2k0f s LYS 73 Cb -0.10 -1.89 0.53 0.00 -0.52 0.00 0.00 37.83 35.84 2k0f s LYS 73 CO 0.36 -1.99 1.85 -0.44 -0.92 0.00 0.00 175.35 174.21 2k0f h ASP 74 N -1.34 0.59 -0.00 2.83 5.19 -2.00 -2.37 116.42 119.31 2k0f h ASP 74 Ca -0.46 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 55.83 2k0f h ASP 74 Cb 1.30 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2k0f h ASP 74 CO 0.57 0.64 -0.00 0.74 -3.12 0.00 0.00 179.24 178.06 2k0f h THR 75 N 0.60 1.41 -0.88 0.35 2.02 -2.03 -3.15 112.91 111.22 2k0f h THR 75 Ca 0.13 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.14 2k0f h THR 75 Cb 0.33 2.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 2k0f h THR 75 CO 0.01 0.32 0.58 0.44 0.37 0.00 0.00 175.52 177.23 2k0f h ASP 76 N -0.51 0.91 0.07 4.18 3.32 -1.95 -3.19 116.42 119.24 2k0f h ASP 76 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k0f h ASP 76 Cb 0.53 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k0f h ASP 76 CO 0.00 0.60 -0.05 0.28 -1.72 0.00 0.00 179.24 178.35 2k0f h SER 77 N 1.04 0.00 -0.52 6.45 0.02 -1.38 -2.25 113.55 116.91 2k0f h SER 77 Ca 0.37 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.42 2k0f h SER 77 Cb 0.13 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.57 2k0f h SER 77 CO -0.13 0.05 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.05 2k0f h GLU 78 N 0.00 -0.11 -0.01 3.45 4.39 -1.68 -2.34 114.58 118.28 2k0f h GLU 78 Ca -0.00 0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 78 Cb 0.10 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2k0f h GLU 78 CO 0.01 -0.07 -0.76 0.93 -1.16 0.00 0.00 179.01 177.95 2k0f h GLU 79 N -0.11 0.11 -0.39 2.33 4.39 -1.61 -1.37 114.58 117.93 2k0f h GLU 79 Ca 0.24 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2k0f h GLU 79 Cb 0.49 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.10 2k0f h GLU 79 CO -0.59 0.82 -0.06 0.93 -1.16 0.00 0.00 179.01 178.94 2k0f h GLU 80 N 0.07 0.03 -0.38 2.33 4.39 -1.52 -1.68 114.58 117.82 2k0f h GLU 80 Ca -0.02 -0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 2k0f h GLU 80 Cb 1.33 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2k0f h GLU 80 CO 0.11 0.02 -0.39 0.82 -1.16 0.00 0.00 179.01 178.41 2k0f h ILE 81 N 0.03 1.27 -0.02 3.13 2.04 -1.27 -1.46 117.51 121.23 2k0f h ILE 81 Ca 0.19 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2k0f h ILE 81 Cb 0.28 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2k0f h ILE 81 CO -0.38 0.52 0.01 -0.09 0.00 0.00 0.00 178.15 178.22 2k0f h ARG 82 N 0.75 0.02 -0.44 2.37 2.43 -1.09 -0.32 114.38 118.10 2k0f h ARG 82 Ca 0.06 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2k0f h ARG 82 Cb 0.99 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2k0f h ARG 82 CO 0.10 0.03 0.08 0.93 -1.51 0.00 0.00 179.97 179.59 2k0f h GLU 83 N 0.01 0.72 -0.66 0.20 4.39 -1.29 -2.06 114.58 115.90 2k0f h GLU 83 Ca 0.01 -0.19 0.13 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 83 Cb 0.01 -0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 28.45 2k0f h GLU 83 CO -0.00 0.74 -0.20 0.00 -1.16 0.00 0.00 179.01 178.39 2k0f h ALA 84 N 0.94 0.35 0.00 3.43 0.00 -1.20 -2.98 119.26 119.81 2k0f h ALA 84 Ca 0.13 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 84 Cb 0.37 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 84 CO 0.01 -0.47 -0.13 0.35 0.00 0.00 0.00 179.25 179.01 2k0f h PHE 85 N -0.03 0.00 0.00 0.00 3.57 -0.43 -2.15 116.94 117.90 2k0f h PHE 85 Ca 0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2k0f h PHE 85 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k0f h PHE 85 CO -0.56 0.13 -0.10 -0.09 -2.23 0.00 0.00 178.31 175.46 2k0f h ARG 86 N 0.00 0.00 0.00 1.11 2.43 -1.24 0.14 114.38 116.83 2k0f h ARG 86 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 86 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 86 CO 0.02 0.10 -0.00 0.28 -1.51 0.00 0.00 179.97 178.85 2k0f h VAL 87 N 0.00 1.61 0.57 0.20 2.07 -1.36 -3.39 116.25 115.95 2k0f h VAL 87 Ca -0.00 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.36 2k0f h VAL 87 Cb 0.57 3.01 0.01 0.00 -1.52 0.00 0.00 31.29 33.35 2k0f h VAL 87 CO 0.01 0.53 -0.27 -0.26 0.02 0.00 0.00 177.57 177.60 2k0f h PHE 88 N -0.96 -0.71 -2.63 1.57 0.04 -1.01 -3.40 116.94 109.83 2k0f h PHE 88 Ca -0.00 -0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 88 Cb 0.88 0.24 -0.11 0.00 2.20 0.00 0.00 35.95 39.15 2k0f h PHE 88 CO 0.24 -0.40 0.77 0.34 -0.60 0.00 0.00 178.31 178.66 2k0f s ASP 89 N -4.59 6.20 -0.02 2.17 2.15 0.46 -4.59 116.67 118.44 2k0f s ASP 89 Ca -0.16 -0.65 -0.24 0.00 0.43 0.00 0.00 52.55 51.93 2k0f s ASP 89 Cb 0.03 -2.48 -0.20 0.00 -0.30 0.00 0.00 42.92 39.97 2k0f s ASP 89 CO 0.58 -1.58 1.21 0.50 -0.17 0.00 0.00 175.17 175.71 2k0f h LYS 90 N 9.72 0.12 -0.09 4.34 3.64 -1.82 -3.22 116.57 129.26 2k0f h LYS 90 Ca -0.28 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 58.85 2k0f h LYS 90 Cb 1.06 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2k0f h LYS 90 CO 1.21 0.66 -0.62 0.38 -2.27 0.00 0.00 179.45 178.81 2k0f h ASP 91 N -0.41 0.71 -0.04 4.20 2.03 -1.92 -3.49 116.42 117.50 2k0f h ASP 91 Ca 0.00 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 55.64 2k0f h ASP 91 Cb 0.66 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 2k0f h ASP 91 CO 0.02 1.26 0.00 0.61 -1.03 0.00 0.00 179.24 180.10 2k0f n GLY 92 N 0.78 1.23 0.05 7.15 0.00 -1.22 -5.02 105.19 108.16 2k0f n GLY 92 Ca -0.08 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.08 0.54 0.00 1.61 6.94 -1.26 -4.90 115.26 118.28 2k0f n ASN 93 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.86 2k0f n ASN 93 Cb 0.03 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 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 1.39 1.44 3.10 4.83 0.00 -1.26 -5.11 105.19 109.58 2k0f n GLY 94 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 -0.24 -0.33 1.61 1.51 -1.26 -4.07 117.35 112.57 2k0f s TYR 95 Ca 0.00 0.59 -0.19 0.00 -1.01 0.00 0.00 57.07 56.46 2k0f s TYR 95 Cb 0.00 0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.93 2k0f s TYR 95 CO 0.00 -0.12 0.55 0.42 -1.11 0.00 0.00 175.55 175.29 2k0f s ILE 96 N 0.11 4.99 0.70 2.71 1.01 0.17 -4.70 121.20 126.20 2k0f s ILE 96 Ca -0.00 0.53 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 2k0f s ILE 96 Cb -0.02 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.59 2k0f s ILE 96 CO 0.00 -0.18 0.98 -0.94 0.00 0.00 0.00 174.94 174.81 2k0f s SER 97 N 1.72 4.56 0.14 3.58 1.04 -1.26 -1.59 113.70 121.88 2k0f s SER 97 Ca 0.21 -0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 2k0f s SER 97 Cb -0.15 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.46 2k0f s SER 97 CO 0.13 -1.72 1.69 0.00 0.98 0.00 0.00 173.24 174.32 2k0f h ALA 98 N -0.52 0.17 -0.60 5.32 0.00 -1.98 -0.81 119.26 120.84 2k0f h ALA 98 Ca -0.41 0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 98 Cb 1.28 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 2k0f h ALA 98 CO 0.48 -0.47 0.33 0.00 0.00 0.00 0.00 179.25 179.58 2k0f h ALA 99 N 1.25 0.79 -0.15 0.00 0.00 -1.97 0.58 119.26 119.76 2k0f h ALA 99 Ca 0.13 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 99 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k0f h ALA 99 CO -0.28 -0.00 -0.51 0.93 0.00 0.00 0.00 179.25 179.39 2k0f h GLU 100 N 0.62 0.42 0.11 0.00 5.08 -1.82 0.99 114.58 119.97 2k0f h GLU 100 Ca 0.26 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 100 Cb 0.15 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k0f h GLU 100 CO -0.17 0.83 -0.07 1.25 -1.00 0.00 0.00 179.01 179.86 2k0f h LEU 101 N 0.33 -0.18 -0.83 1.33 5.85 -0.80 -3.14 115.31 117.86 2k0f h LEU 101 Ca 0.01 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 101 Cb 1.02 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2k0f h LEU 101 CO 0.09 -0.12 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.65 2k0f h ARG 102 N -0.18 0.49 -0.48 1.25 2.43 -0.61 -2.92 114.38 114.35 2k0f h ARG 102 Ca -0.01 -0.21 0.07 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 102 Cb 0.16 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 2k0f h ARG 102 CO 0.01 0.76 0.17 0.45 -1.51 0.00 0.00 179.97 179.84 2k0f h HIS 103 N 0.42 0.29 -0.29 2.20 3.86 -0.86 -1.09 115.15 119.67 2k0f h HIS 103 Ca 0.05 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2k0f h HIS 103 Cb 0.78 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 2k0f h HIS 103 CO 0.03 0.09 0.05 0.28 0.86 0.00 0.00 177.93 179.24 2k0f h VAL 104 N 0.34 0.85 -0.57 2.45 2.07 -1.47 -1.29 116.25 118.63 2k0f h VAL 104 Ca 0.23 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.75 2k0f h VAL 104 Cb 0.24 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2k0f h VAL 104 CO -0.24 0.03 0.30 0.24 0.02 0.00 0.00 177.57 177.91 2k0f h MET 105 N 0.15 0.55 0.00 1.57 2.07 -1.43 -1.23 114.93 116.61 2k0f h MET 105 Ca 0.14 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 2k0f h MET 105 Cb 0.15 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 29.76 2k0f h MET 105 CO -0.19 0.36 -0.09 0.00 1.07 0.00 0.00 176.91 178.06 2k0f h THR 106 N 0.57 0.16 0.00 2.22 1.03 -0.75 0.97 112.91 117.11 2k0f h THR 106 Ca 0.25 -1.14 -0.14 0.00 -0.01 0.00 0.00 66.41 65.37 2k0f h THR 106 Cb 0.15 1.99 -0.02 0.00 -1.07 0.00 0.00 68.15 69.20 2k0f h THR 106 CO -0.17 0.09 -0.88 0.78 -0.01 0.00 0.00 175.52 175.33 2k0f h ASN 107 N 0.00 0.00 0.00 0.00 2.35 -0.95 -3.24 115.58 113.74 2k0f h ASN 107 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 107 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2k0f h ASN 107 CO 0.01 0.60 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.22 2k0f h LEU 108 N 0.00 0.09 0.00 1.61 3.38 -0.78 -3.42 115.31 116.19 2k0f h LEU 108 Ca -0.06 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2k0f h LEU 108 Cb 1.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2k0f h LEU 108 CO 0.07 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.08 2k0f n GLY 109 N 1.08 0.02 3.82 0.83 0.00 0.19 -4.97 105.19 106.17 2k0f n GLY 109 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 2.93 -0.40 1.61 0.41 -0.33 -5.00 118.70 117.92 2k0f s GLU 110 Ca 0.00 -1.00 0.09 0.00 -0.41 0.00 0.00 54.97 53.65 2k0f s GLU 110 Cb 0.00 -2.59 0.43 0.00 -1.78 0.00 0.00 34.13 30.20 2k0f s GLU 110 CO 0.00 0.42 1.07 1.17 -0.49 0.00 0.00 175.26 177.44 2k0f n LYS 111 N -0.96 2.80 -3.11 1.61 4.81 -1.26 -4.48 118.16 117.57 2k0f n LYS 111 Ca -0.08 -4.14 -0.26 0.00 -0.87 0.00 0.00 58.31 52.97 2k0f n LYS 111 Cb 0.57 -1.97 -0.01 0.00 0.02 0.00 0.00 35.03 33.64 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 -3.44 3.88 0.75 3.14 2.34 -1.26 -5.07 118.68 119.03 2k0f s LEU 112 Ca 0.42 0.66 -0.11 0.00 0.06 0.00 0.00 54.13 55.16 2k0f s LEU 112 Cb 0.41 -3.55 0.04 0.00 -0.56 0.00 0.00 46.19 42.54 2k0f s LEU 112 CO -0.11 -0.38 1.10 0.42 -1.06 0.00 0.00 176.35 176.31 2k0f s THR 113 N -2.43 3.28 0.46 5.48 -4.23 -1.26 -4.93 115.64 112.01 2k0f s THR 113 Ca 0.43 0.42 0.25 0.00 -1.18 0.00 0.00 61.69 61.61 2k0f s THR 113 Cb -0.10 -3.27 0.28 0.00 1.34 0.00 0.00 72.50 70.75 2k0f s THR 113 CO 0.38 -0.55 2.10 0.44 -0.54 0.00 0.00 174.62 176.45 2k0f h ASP 114 N -0.89 0.00 0.25 3.99 3.32 -1.99 -1.67 116.42 119.43 2k0f h ASP 114 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 114 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2k0f h ASP 114 CO 0.61 0.11 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.79 2k0f h GLU 115 N 0.00 -0.32 -0.36 3.56 5.08 -1.98 -1.78 114.58 118.78 2k0f h GLU 115 Ca -0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2k0f h GLU 115 Cb 0.25 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 115 CO 0.01 -0.05 -0.17 0.93 -1.00 0.00 0.00 179.01 178.73 2k0f h GLU 116 N -0.57 -0.11 0.09 2.33 5.08 -1.89 0.18 114.58 119.69 2k0f h GLU 116 Ca -0.03 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 116 Cb 0.42 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 116 CO 0.06 -0.07 -0.53 0.28 -1.00 0.00 0.00 179.01 177.74 2k0f h VAL 117 N -0.11 0.01 -0.78 3.13 2.07 -1.28 -3.04 116.25 116.25 2k0f h VAL 117 Ca 0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 2k0f h VAL 117 Cb 0.38 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 2k0f h VAL 117 CO -0.43 0.00 0.37 -0.78 0.02 0.00 0.00 177.57 176.75 2k0f h ASP 118 N -0.74 0.42 -0.73 0.57 1.82 -0.93 -2.79 116.42 114.04 2k0f h ASP 118 Ca -0.00 0.09 0.16 0.00 -0.39 0.00 0.00 57.03 56.89 2k0f h ASP 118 Cb 0.75 0.03 -0.13 0.00 0.68 0.00 0.00 39.33 40.66 2k0f h ASP 118 CO -0.31 0.19 -0.07 -0.08 -1.61 0.00 0.00 179.24 177.36 2k0f h GLU 119 N 0.55 0.05 -0.40 0.28 4.81 -0.60 -1.08 114.58 118.20 2k0f h GLU 119 Ca 0.42 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 119 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2k0f h GLU 119 CO -0.35 0.04 0.23 0.52 -0.73 0.00 0.00 179.01 178.72 2k0f h MET 120 N 0.06 0.54 -0.79 1.92 2.86 -1.39 -3.21 114.93 114.92 2k0f h MET 120 Ca 0.38 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.96 2k0f h MET 120 Cb 0.64 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 2k0f h MET 120 CO -0.69 0.41 0.46 0.82 1.06 0.00 0.00 176.91 178.96 2k0f h ILE 121 N 0.52 1.23 -0.60 -1.22 1.08 -1.07 -2.18 117.51 115.27 2k0f h ILE 121 Ca 0.14 -0.54 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 2k0f h ILE 121 Cb 0.01 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 2k0f h ILE 121 CO -0.03 0.25 0.38 0.03 -0.69 0.00 0.00 178.15 178.09 2k0f h ARG 122 N 1.09 0.73 -0.03 2.37 2.47 -1.38 0.95 114.38 120.58 2k0f h ARG 122 Ca 0.28 -0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.81 2k0f h ARG 122 Cb -0.00 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 2k0f h ARG 122 CO -0.05 0.48 -0.65 1.05 0.56 0.00 0.00 179.97 181.37 2k0f h GLU 123 N 0.75 0.12 0.15 0.04 4.11 -1.60 -3.23 114.58 114.92 2k0f h GLU 123 Ca 0.24 -0.09 -0.33 0.00 0.07 0.00 0.00 59.36 59.24 2k0f h GLU 123 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 123 CO -0.09 0.73 -1.65 0.00 0.07 0.00 0.00 179.01 178.07 2k0f h ALA 124 N 1.25 0.23 -2.31 1.06 0.00 -0.80 -3.47 119.26 115.22 2k0f h ALA 124 Ca -0.01 -1.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.21 2k0f h ALA 124 Cb 1.16 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2k0f h ALA 124 CO 0.09 1.09 0.68 0.34 0.00 0.00 0.00 179.25 181.45 2k0f s ASP 125 N -7.12 7.08 -0.12 0.00 2.15 0.27 -4.91 116.67 114.04 2k0f s ASP 125 Ca -0.12 1.78 -0.07 0.00 0.43 0.00 0.00 52.55 54.56 2k0f s ASP 125 Cb 0.06 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 125 CO 0.85 -0.56 -0.14 0.40 -0.17 0.00 0.00 175.17 175.56 2k0f h ILE 126 N 5.01 0.00 0.00 4.11 1.08 -1.90 -3.44 117.51 122.37 2k0f h ILE 126 Ca -0.34 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2k0f h ILE 126 Cb 1.16 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2k0f h ILE 126 CO 0.87 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.43 2k0f n ASP 127 N -4.27 0.00 0.00 1.72 5.68 -1.26 -5.01 116.55 113.41 2k0f n ASP 127 Ca -0.06 0.90 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 2k0f n ASP 127 Cb 0.20 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 -0.91 -0.50 0.19 6.12 0.00 -1.26 -5.03 105.19 103.81 2k0f n GLY 128 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.41 1.61 2.03 -1.97 -3.47 116.42 113.20 2k0f h ASP 129 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 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 0.33 -0.18 0.61 -1.03 0.00 0.00 179.24 178.97 2k0f n GLY 130 N -0.53 0.21 3.30 7.15 0.00 -1.26 -5.07 105.19 108.99 2k0f n GLY 130 Ca -0.02 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.65 1.41 -0.30 1.61 -0.21 -1.26 -4.59 119.66 111.67 2k0f s GLN 131 Ca 0.06 -1.08 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 2k0f s GLN 131 Cb -0.02 -1.63 0.05 0.00 1.00 0.00 0.00 33.01 32.41 2k0f s GLN 131 CO 0.07 0.40 0.01 0.08 -2.12 0.00 0.00 175.29 173.73 2k0f s VAL 132 N -0.92 3.08 0.00 1.09 1.01 -0.62 -4.88 120.40 119.16 2k0f s VAL 132 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2k0f s VAL 132 Cb -0.09 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2k0f s VAL 132 CO 0.03 -0.10 0.00 -0.46 0.00 0.00 0.00 175.10 174.57 2k0f n ASN 133 N 4.65 0.00 -0.10 3.32 0.23 -1.26 -0.66 115.26 121.45 2k0f n ASN 133 Ca -0.13 -0.43 -0.12 0.00 -0.53 0.00 0.00 54.58 53.37 2k0f n ASN 133 Cb 0.44 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.33 0.69 -0.01 -2.53 3.20 -1.99 -0.79 116.97 115.21 2k0f h TYR 134 Ca 0.00 -0.17 -0.23 0.00 3.14 0.00 0.00 58.73 61.47 2k0f h TYR 134 Cb 0.00 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.12 2k0f h TYR 134 CO 0.00 0.83 -0.95 0.93 -1.64 0.00 0.00 178.16 177.34 2k0f h GLU 135 N 0.35 0.47 0.00 1.82 5.08 -1.94 0.20 114.58 120.56 2k0f h GLU 135 Ca 0.07 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2k0f h GLU 135 Cb 0.64 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2k0f h GLU 135 CO 0.04 1.14 -0.14 0.93 -1.00 0.00 0.00 179.01 179.99 2k0f h GLU 136 N 0.27 0.00 0.17 2.33 5.08 -1.86 -2.27 114.58 118.30 2k0f h GLU 136 Ca -0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 2k0f h GLU 136 Cb 1.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.86 2k0f h GLU 136 CO 0.17 0.14 -1.00 0.35 -1.00 0.00 0.00 179.01 177.66 2k0f h PHE 137 N 0.00 0.68 -0.05 4.33 3.57 -0.71 -3.27 116.94 121.50 2k0f h PHE 137 Ca -0.00 -0.49 -0.00 0.00 3.53 0.00 0.00 57.97 61.00 2k0f h PHE 137 Cb 0.46 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2k0f h PHE 137 CO 0.00 1.38 0.03 0.28 -2.23 0.00 0.00 178.31 177.77 2k0f h VAL 138 N -0.20 1.08 0.00 1.41 2.07 -0.70 -2.97 116.25 116.93 2k0f h VAL 138 Ca -0.17 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 2k0f h VAL 138 Cb 1.79 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2k0f h VAL 138 CO 0.19 0.07 -0.29 1.56 0.02 0.00 0.00 177.57 179.11 2k0f h GLN 139 N -0.01 0.00 -0.04 1.57 4.20 -1.53 0.21 115.11 119.51 2k0f h GLN 139 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k0f h GLN 139 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2k0f h GLN 139 CO -0.00 0.29 -0.01 1.98 -0.67 0.00 0.00 178.83 180.42 2k0f h MET 140 N 0.00 0.07 0.08 1.46 4.05 -1.57 -3.33 114.93 115.68 2k0f h MET 140 Ca -0.00 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.15 2k0f h MET 140 Cb 0.59 -0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.41 2k0f h MET 140 CO 0.04 0.43 -0.98 0.52 0.23 0.00 0.00 176.91 177.15 2k0f h MET 141 N -0.30 0.53 0.00 0.39 2.86 -1.40 -3.52 114.93 113.50 2k0f h MET 141 Ca 0.01 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 2k0f h MET 141 Cb 0.41 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 141 CO 0.00 1.28 0.00 0.25 1.06 0.00 0.00 176.91 179.50