#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.00 -3.09 1.09 2.13 -1.26 -4.85 120.64 114.67 2k0f n GLU 2 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2k0f n GLU 2 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2k0f n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2k0f s GLU 3 N 0.06 3.19 0.14 5.31 2.02 -1.26 -4.97 118.70 123.20 2k0f s GLU 3 Ca 0.00 -0.67 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 2k0f s GLU 3 Cb 0.00 -4.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.16 2k0f s GLU 3 CO 0.00 -1.23 1.54 0.37 0.02 0.00 0.00 175.26 175.97 2k0f h GLN 4 N 9.03 0.90 -0.47 1.61 4.15 -1.99 -1.94 115.11 126.40 2k0f h GLN 4 Ca -0.27 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 58.82 2k0f h GLN 4 Cb 1.09 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 2k0f h GLN 4 CO 0.97 1.02 0.23 0.82 -1.93 0.00 0.00 178.83 179.94 2k0f h ILE 5 N 0.74 0.95 -0.07 2.39 1.08 -1.99 -1.93 117.51 118.69 2k0f h ILE 5 Ca 0.11 -0.16 -0.12 0.00 -0.39 0.00 0.00 64.86 64.30 2k0f h ILE 5 Cb 0.71 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2k0f h ILE 5 CO 0.05 0.08 -0.50 0.00 -0.69 0.00 0.00 178.15 177.10 2k0f h ALA 6 N 1.26 1.03 -0.04 1.87 0.00 -1.93 0.21 119.26 121.65 2k0f h ALA 6 Ca 0.21 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 6 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k0f h ALA 6 CO -0.15 0.65 -0.67 1.49 0.00 0.00 0.00 179.25 180.57 2k0f h GLU 7 N 0.15 0.19 0.24 0.00 4.81 -0.57 -0.44 114.58 118.95 2k0f h GLU 7 Ca 0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 7 Cb 0.94 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2k0f h GLU 7 CO 0.07 0.79 -0.11 0.74 -0.73 0.00 0.00 179.01 179.77 2k0f h PHE 8 N 0.13 -0.30 -0.57 0.92 0.04 -1.34 -3.19 116.94 112.63 2k0f h PHE 8 Ca -0.01 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.86 2k0f h PHE 8 Cb 1.20 0.10 -0.10 0.00 2.20 0.00 0.00 35.95 39.36 2k0f h PHE 8 CO 0.02 -0.19 0.00 -0.22 -0.60 0.00 0.00 178.31 177.33 2k0f h LYS 9 N -0.95 0.12 0.00 1.51 3.11 -0.68 -2.04 116.57 117.63 2k0f h LYS 9 Ca -0.03 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.76 2k0f h LYS 9 Cb 0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2k0f h LYS 9 CO 0.05 0.08 -0.21 0.93 -2.81 0.00 0.00 179.45 177.49 2k0f h GLU 10 N 0.12 0.00 -0.31 1.90 4.39 -1.23 -1.06 114.58 118.39 2k0f h GLU 10 Ca 0.30 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 2k0f h GLU 10 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2k0f h GLU 10 CO -0.49 0.21 -0.06 0.00 -1.16 0.00 0.00 179.01 177.51 2k0f h ALA 11 N 1.79 0.42 -0.42 3.43 0.00 -1.42 -1.62 119.26 121.46 2k0f h ALA 11 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 11 Cb 1.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2k0f h ALA 11 CO 0.03 0.24 -0.03 0.35 0.00 0.00 0.00 179.25 179.84 2k0f h PHE 12 N 0.36 0.73 -0.92 0.00 3.57 -1.31 -2.58 116.94 116.79 2k0f h PHE 12 Ca 0.08 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 12 Cb 0.54 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2k0f h PHE 12 CO 0.05 0.70 0.61 1.03 -2.23 0.00 0.00 178.31 178.47 2k0f h SER 13 N 0.64 1.04 -0.85 0.41 0.87 -0.97 -2.47 113.55 112.23 2k0f h SER 13 Ca 0.13 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.77 2k0f h SER 13 Cb 0.44 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 2k0f h SER 13 CO 0.02 0.75 0.55 0.25 -0.53 0.00 0.00 176.83 177.87 2k0f h LEU 14 N 1.23 0.72 -0.35 2.23 5.85 -0.88 -3.10 115.31 121.01 2k0f h LEU 14 Ca 0.34 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 2k0f h LEU 14 Cb -0.11 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2k0f h LEU 14 CO -0.08 0.42 -0.73 -0.26 -0.34 0.00 0.00 178.44 177.45 2k0f h PHE 15 N 0.79 0.68 -3.35 1.25 0.04 -1.42 -3.46 116.94 111.48 2k0f h PHE 15 Ca 0.40 -0.30 -0.55 0.00 2.80 0.00 0.00 57.97 60.32 2k0f h PHE 15 Cb 0.46 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 2k0f h PHE 15 CO -0.00 1.07 0.41 0.34 -0.60 0.00 0.00 178.31 179.53 2k0f s ASP 16 N -7.00 7.27 0.25 2.17 -1.08 -0.99 -4.62 116.67 112.66 2k0f s ASP 16 Ca -0.07 1.54 0.20 0.00 -0.52 0.00 0.00 52.55 53.70 2k0f s ASP 16 Cb 0.10 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 2k0f s ASP 16 CO 0.86 -0.32 1.21 0.11 0.52 0.00 0.00 175.17 177.55 2k0f h LYS 17 N 6.93 0.00 0.00 4.34 1.57 -1.89 -3.38 116.57 124.13 2k0f h LYS 17 Ca -0.37 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.17 2k0f h LYS 17 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 2k0f h LYS 17 CO 0.79 0.15 -1.84 -0.25 -0.57 0.00 0.00 179.45 177.73 2k0f n ASP 18 N -2.92 2.11 0.00 0.86 8.00 -1.26 -5.01 116.55 118.32 2k0f n ASP 18 Ca -0.01 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2k0f n ASP 18 Cb 0.64 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.47 0.96 0.27 0.44 0.00 -1.26 -5.02 105.19 103.05 2k0f n GLY 19 Ca -0.28 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 -0.54 0.00 1.61 2.03 -1.95 -3.49 116.42 114.08 2k0f h ASP 20 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2k0f h ASP 20 Cb 0.21 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2k0f h ASP 20 CO 0.00 -0.21 0.00 0.61 -1.03 0.00 0.00 179.24 178.61 2k0f n GLY 21 N -0.11 0.91 3.49 7.15 0.00 -1.26 -5.13 105.19 110.23 2k0f n GLY 21 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.25 -0.61 -0.33 2.61 -4.23 -1.26 -4.60 115.64 106.96 2k0f s THR 22 Ca 0.00 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.41 2k0f s THR 22 Cb 0.00 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 2k0f s THR 22 CO 0.00 0.03 0.42 -0.63 -0.54 0.00 0.00 174.62 173.89 2k0f s ILE 23 N 2.43 5.11 0.67 2.99 1.01 -1.17 -4.96 121.20 127.28 2k0f s ILE 23 Ca -0.06 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2k0f s ILE 23 Cb -0.10 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.61 2k0f s ILE 23 CO -0.17 -0.10 0.93 0.42 0.00 0.00 0.00 174.94 176.02 2k0f s THR 24 N 2.16 2.26 0.21 2.92 -4.23 -1.26 -2.96 115.64 114.73 2k0f s THR 24 Ca 0.15 -0.64 0.16 0.00 -1.18 0.00 0.00 61.69 60.18 2k0f s THR 24 Cb -0.16 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.15 2k0f s THR 24 CO 0.12 0.00 1.71 0.71 -0.54 0.00 0.00 174.62 176.61 2k0f h THR 25 N -0.33 1.06 -0.32 3.99 1.35 -1.89 -2.24 112.91 114.53 2k0f h THR 25 Ca -0.37 -1.67 -0.09 0.00 -0.55 0.00 0.00 66.41 63.72 2k0f h THR 25 Cb 1.28 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 2k0f h THR 25 CO 0.43 0.43 -0.20 0.07 -0.25 0.00 0.00 175.52 176.01 2k0f h LYS 26 N 0.00 0.59 -0.13 4.72 2.10 -1.97 -0.58 116.57 121.30 2k0f h LYS 26 Ca -0.00 -0.21 -0.21 0.00 -2.00 0.00 0.00 60.65 58.23 2k0f h LYS 26 Cb 0.94 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2k0f h LYS 26 CO 0.06 0.75 -0.75 0.93 -2.00 0.00 0.00 179.45 178.44 2k0f h GLU 27 N 0.53 0.66 -0.22 0.07 5.08 -1.75 -0.21 114.58 118.73 2k0f h GLU 27 Ca 0.08 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2k0f h GLU 27 Cb 0.63 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2k0f h GLU 27 CO 0.04 1.15 0.15 1.25 -1.00 0.00 0.00 179.01 180.60 2k0f h LEU 28 N 0.45 0.23 -0.09 1.33 5.85 -1.43 -2.29 115.31 119.36 2k0f h LEU 28 Ca -0.04 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2k0f h LEU 28 Cb 1.35 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2k0f h LEU 28 CO 0.15 0.16 -0.10 1.23 -0.34 0.00 0.00 178.44 179.54 2k0f h GLY 29 N 0.27 0.24 -0.37 3.75 0.00 -0.36 -1.02 103.07 105.57 2k0f h GLY 29 Ca 0.08 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.27 2k0f h GLY 29 CO -0.02 0.23 -0.31 -0.84 0.00 0.00 0.00 176.54 175.60 2k0f h THR 30 N -0.21 0.20 -0.27 4.70 2.02 -0.99 -0.80 112.91 117.55 2k0f h THR 30 Ca 0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.02 2k0f h THR 30 Cb 0.63 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2k0f h THR 30 CO 0.02 0.00 -0.49 0.58 0.37 0.00 0.00 175.52 176.00 2k0f h VAL 31 N -0.15 1.29 -0.26 3.16 2.07 -1.29 -1.59 116.25 119.47 2k0f h VAL 31 Ca 0.24 -1.68 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 2k0f h VAL 31 Cb 0.54 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2k0f h VAL 31 CO -0.66 0.54 -0.25 -0.03 0.02 0.00 0.00 177.57 177.20 2k0f h MET 32 N 0.58 0.50 0.19 1.57 4.05 -1.12 -1.87 114.93 118.83 2k0f h MET 32 Ca 0.02 -0.19 -0.31 0.00 -0.28 0.00 0.00 59.70 58.94 2k0f h MET 32 Cb 1.10 -0.03 0.03 0.00 -0.80 0.00 0.00 31.60 31.90 2k0f h MET 32 CO 0.11 0.71 -1.34 -0.09 0.23 0.00 0.00 176.91 176.53 2k0f h ARG 33 N 0.44 0.57 -0.76 0.39 2.43 -1.01 -1.33 114.38 115.10 2k0f h ARG 33 Ca 0.07 -0.87 0.17 0.00 -0.81 0.00 0.00 59.98 58.53 2k0f h ARG 33 Cb 0.67 0.31 -0.11 0.00 -0.42 0.00 0.00 29.97 30.42 2k0f h ARG 33 CO 0.05 1.41 0.21 0.77 -1.51 0.00 0.00 179.97 180.90 2k0f h SER 34 N 0.16 0.06 0.19 -3.80 0.02 -1.26 -2.03 113.55 106.91 2k0f h SER 34 Ca -0.22 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2k0f h SER 34 Cb 2.03 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.73 2k0f h SER 34 CO 0.25 -0.03 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.59 2k0f h LEU 35 N 0.30 -0.71 0.00 5.07 3.38 -1.30 -3.42 115.31 118.62 2k0f h LEU 35 Ca 0.43 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2k0f h LEU 35 Cb 0.75 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k0f h LEU 35 CO -0.51 -0.36 0.00 0.61 0.09 0.00 0.00 178.44 178.27 2k0f n GLY 36 N -1.38 0.54 3.58 0.83 0.00 -0.60 -5.11 105.19 103.06 2k0f n GLY 36 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 0.90 -0.68 1.61 2.00 -0.65 -4.97 119.66 117.88 2k0f s GLN 37 Ca 0.00 0.65 0.05 0.00 -2.00 0.00 0.00 55.36 54.06 2k0f s GLN 37 Cb 0.00 0.43 0.17 0.00 0.80 0.00 0.00 33.01 34.41 2k0f s GLN 37 CO 0.00 -0.19 0.47 -0.80 -0.50 0.00 0.00 175.29 174.27 2k0f s ASN 38 N -0.32 4.62 1.19 6.67 0.01 -1.26 -3.50 114.94 122.35 2k0f s ASN 38 Ca -0.04 -3.76 -0.20 0.00 -0.71 0.00 0.00 52.86 48.15 2k0f s ASN 38 Cb -0.03 -1.57 0.29 0.00 0.41 0.00 0.00 41.25 40.34 2k0f s ASN 38 CO 0.04 -0.10 1.15 -2.16 -1.51 0.00 0.00 177.10 174.52 2k0f s PRO 39 N -1.30 -1.14 0.60 -0.60 0.04 -1.26 -5.08 135.00 126.25 2k0f s PRO 39 Ca 0.25 -0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.02 2k0f s PRO 39 Cb -0.05 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2k0f s PRO 39 CO -0.16 -3.64 0.92 0.95 0.04 0.00 0.00 177.00 175.12 2k0f s THR 40 N -3.15 3.76 0.34 1.26 -4.23 -1.26 -4.98 115.64 107.37 2k0f s THR 40 Ca 0.72 0.11 0.11 0.00 -1.18 0.00 0.00 61.69 61.45 2k0f s THR 40 Cb -0.08 -3.50 0.06 0.00 1.34 0.00 0.00 72.50 70.33 2k0f s THR 40 CO 0.55 -0.54 1.76 -0.33 -0.54 0.00 0.00 174.62 175.53 2k0f h GLU 41 N -0.21 0.07 -0.10 3.99 5.08 -1.99 -2.53 114.58 118.89 2k0f h GLU 41 Ca -0.45 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2k0f h GLU 41 Cb 1.25 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2k0f h GLU 41 CO 0.61 0.47 -0.15 0.00 -1.00 0.00 0.00 179.01 178.94 2k0f h ALA 42 N 1.53 -0.10 -0.50 3.43 0.00 -2.00 -2.81 119.26 118.81 2k0f h ALA 42 Ca 0.00 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k0f h ALA 42 Cb 0.76 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2k0f h ALA 42 CO 0.06 -0.62 0.06 0.93 0.00 0.00 0.00 179.25 179.68 2k0f h GLU 43 N -0.21 0.17 -0.08 0.00 5.08 -1.90 -1.82 114.58 115.84 2k0f h GLU 43 Ca 0.08 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 43 Cb 0.33 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 43 CO -0.22 0.12 0.06 -0.07 -1.00 0.00 0.00 179.01 177.90 2k0f h LEU 44 N 0.18 0.00 0.21 1.33 3.38 -1.31 -1.83 115.31 117.27 2k0f h LEU 44 Ca 0.25 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.91 2k0f h LEU 44 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 44 CO -0.37 0.00 -1.45 -0.61 0.09 0.00 0.00 178.44 176.10 2k0f h GLN 45 N 0.00 0.45 -0.74 1.13 4.15 -1.17 -3.18 115.11 115.74 2k0f h GLN 45 Ca 0.04 -0.76 -0.02 0.00 0.77 0.00 0.00 58.65 58.67 2k0f h GLN 45 Cb 0.16 0.28 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 2k0f h GLN 45 CO -0.00 1.36 0.37 0.22 -1.93 0.00 0.00 178.83 178.85 2k0f h ASP 46 N 0.02 0.95 0.18 -0.69 3.58 -0.55 0.11 116.42 120.02 2k0f h ASP 46 Ca -0.27 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2k0f h ASP 46 Cb 2.04 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.85 2k0f h ASP 46 CO 0.21 0.80 -0.09 0.24 -2.88 0.00 0.00 179.24 177.52 2k0f h MET 47 N 1.05 -0.24 0.32 0.28 2.86 -1.41 -2.07 114.93 115.73 2k0f h MET 47 Ca 0.26 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 2k0f h MET 47 Cb 0.09 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2k0f h MET 47 CO -0.04 -0.10 -0.15 0.82 1.06 0.00 0.00 176.91 178.50 2k0f h ILE 48 N -0.32 0.71 -0.44 -1.22 1.08 -1.50 -3.27 117.51 112.55 2k0f h ILE 48 Ca -0.03 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.16 2k0f h ILE 48 Cb 0.24 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2k0f h ILE 48 CO 0.04 0.08 0.30 0.78 -0.69 0.00 0.00 178.15 178.66 2k0f h ASN 49 N -0.63 0.21 -0.05 1.72 4.21 -0.58 -1.01 115.58 119.45 2k0f h ASN 49 Ca -0.04 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.51 2k0f h ASN 49 Cb 0.45 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 37.55 2k0f h ASN 49 CO 0.07 0.13 -0.34 -0.08 -1.29 0.00 0.00 177.43 175.93 2k0f h GLU 50 N 0.24 -0.44 -0.02 0.81 4.81 -1.43 -3.08 114.58 115.46 2k0f h GLU 50 Ca 0.20 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 50 Cb 0.49 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 50 CO -0.04 -0.30 -0.13 1.33 -0.73 0.00 0.00 179.01 179.15 2k0f n VAL 51 N -5.42 0.00 -1.74 0.32 0.24 -0.61 -4.92 118.33 106.21 2k0f n VAL 51 Ca -0.04 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2k0f n VAL 51 Cb 0.33 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -2.19 6.49 -0.18 -1.34 2.15 -0.48 -4.91 116.67 116.21 2k0f s ASP 52 Ca 0.30 2.59 -0.10 0.00 0.43 0.00 0.00 52.55 55.76 2k0f s ASP 52 Cb 0.20 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 52 CO 0.41 -1.04 -0.25 0.00 -0.17 0.00 0.00 175.17 174.12 2k0f n ALA 53 N 7.49 1.73 -0.01 3.66 0.00 -1.26 -4.77 120.51 127.35 2k0f n ALA 53 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2k0f n ALA 53 Cb 0.41 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.90 0.00 0.00 0.00 5.68 -1.26 -4.96 116.55 112.11 2k0f n ASP 54 Ca -0.34 0.99 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 2k0f n ASP 54 Cb 0.71 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.00 -0.36 0.18 6.12 0.00 -1.26 -5.02 105.19 103.84 2k0f n GLY 55 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.96 -3.47 115.58 118.83 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.22 0.00 0.61 -2.08 0.00 0.00 177.43 176.18 2k0f n GLY 57 N 1.17 0.63 3.93 9.14 0.00 -1.26 -5.01 105.19 113.79 2k0f n GLY 57 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.72 5.28 -0.32 2.61 -4.23 -1.26 -4.82 115.64 110.19 2k0f s THR 58 Ca 0.00 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 2k0f s THR 58 Cb 0.00 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2k0f s THR 58 CO 0.00 -0.09 0.82 -0.51 -0.54 0.00 0.00 174.62 174.30 2k0f s ILE 59 N -1.76 4.75 0.70 2.99 2.07 -1.16 -4.88 121.20 123.91 2k0f s ILE 59 Ca 0.36 1.18 -0.02 0.00 -1.41 0.00 0.00 60.65 60.76 2k0f s ILE 59 Cb -0.11 -4.19 0.11 0.00 0.13 0.00 0.00 42.46 38.39 2k0f s ILE 59 CO 0.28 -0.32 0.97 -1.81 -1.91 0.00 0.00 174.94 172.16 2k0f s ASP 60 N 1.67 4.50 0.07 4.50 1.11 -1.26 -3.06 116.67 124.20 2k0f s ASP 60 Ca 0.34 -0.18 -0.18 0.00 0.18 0.00 0.00 52.55 52.71 2k0f s ASP 60 Cb -0.14 -0.31 -0.11 0.00 1.07 0.00 0.00 42.92 43.43 2k0f s ASP 60 CO 0.14 -1.75 1.40 0.15 1.18 0.00 0.00 175.17 176.29 2k0f h PHE 61 N -0.48 0.60 0.00 4.23 3.57 -1.97 -0.67 116.94 122.22 2k0f h PHE 61 Ca -0.39 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 60.94 2k0f h PHE 61 Cb 1.28 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2k0f h PHE 61 CO -0.09 0.83 0.00 -2.30 -2.23 0.00 0.00 178.31 174.52 2k0f n PRO 62 N -4.45 0.44 -0.07 6.41 -0.02 -1.26 -0.95 135.00 135.10 2k0f n PRO 62 Ca -0.05 0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.38 2k0f n PRO 62 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 0.00 -0.82 -0.52 5.08 -1.88 -2.69 114.58 113.75 2k0f h GLU 63 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2k0f h GLU 63 Cb 0.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 63 CO 0.00 0.24 0.03 0.34 -1.00 0.00 0.00 179.01 178.62 2k0f n PHE 64 N -4.63 0.53 0.14 4.33 7.35 -0.28 -1.12 117.46 123.78 2k0f n PHE 64 Ca -0.10 0.99 -0.14 0.00 -0.76 0.00 0.00 57.45 57.44 2k0f n PHE 64 Cb 0.28 -1.12 -0.08 0.00 0.35 0.00 0.00 39.48 38.92 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2k0f h LEU 65 N 0.00 -0.24 -1.15 -2.13 6.46 -1.14 -3.11 115.31 113.99 2k0f h LEU 65 Ca 0.50 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 58.17 2k0f h LEU 65 Cb 1.04 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 2k0f h LEU 65 CO -0.77 -0.15 -0.40 0.00 -0.62 0.00 0.00 178.44 176.49 2k0f h THR 66 N -0.31 1.19 -0.03 1.05 1.03 -1.04 -1.56 112.91 113.23 2k0f h THR 66 Ca -0.03 -1.43 -0.07 0.00 -0.01 0.00 0.00 66.41 64.87 2k0f h THR 66 Cb 0.24 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 2k0f h THR 66 CO 0.05 0.40 -0.29 -0.03 -0.01 0.00 0.00 175.52 175.64 2k0f h MET 67 N 0.00 0.05 0.00 0.00 -1.53 -1.11 -2.76 114.93 109.58 2k0f h MET 67 Ca -0.00 -0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.14 2k0f h MET 67 Cb 0.76 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.79 2k0f h MET 67 CO 0.05 0.34 -1.76 -1.33 0.14 0.00 0.00 176.91 174.35 2k0f n MET 68 N -4.18 1.03 0.25 0.39 2.81 -1.15 -4.27 117.12 112.00 2k0f n MET 68 Ca -0.02 -0.08 0.13 0.00 -1.81 0.00 0.00 57.70 55.93 2k0f n MET 68 Cb 0.35 -1.34 0.61 0.00 -0.71 0.00 0.00 33.22 32.13 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f h ALA 69 N 1.03 1.06 -2.37 3.04 0.00 -1.25 -3.43 119.26 117.33 2k0f h ALA 69 Ca -0.15 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.10 2k0f h ALA 69 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2k0f h ALA 69 CO 0.01 0.16 0.50 1.03 0.00 0.00 0.00 179.25 180.94 2k0f s ARG 70 N -3.77 4.47 -0.11 0.00 0.52 -1.05 -5.04 118.95 113.98 2k0f s ARG 70 Ca -0.00 1.50 -0.09 0.00 -0.52 0.00 0.00 55.73 56.63 2k0f s ARG 70 Cb 0.10 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 2k0f s ARG 70 CO 0.59 -0.21 0.18 0.15 0.02 0.00 0.00 175.30 176.03 2k0f s LYS 71 N 1.45 3.60 0.62 3.54 1.02 -1.26 -4.97 119.74 123.74 2k0f s LYS 71 Ca 0.53 -0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.51 2k0f s LYS 71 Cb -0.22 -3.22 0.11 0.00 -0.52 0.00 0.00 37.83 33.98 2k0f s LYS 71 CO 0.25 0.71 0.85 -1.33 -0.92 0.00 0.00 175.35 174.91 2k0f n MET 72 N 2.16 0.31 -0.79 1.68 2.81 -1.26 -5.11 117.12 116.92 2k0f n MET 72 Ca -0.19 -2.83 -0.29 0.00 -1.81 0.00 0.00 57.70 52.59 2k0f n MET 72 Cb 0.54 -0.41 0.21 0.00 -0.71 0.00 0.00 33.22 32.85 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -4.73 -0.06 0.47 0.03 -2.85 -1.26 -4.74 119.74 106.59 2k0f s LYS 73 Ca 0.61 0.87 0.23 0.00 -1.00 0.00 0.00 55.97 56.68 2k0f s LYS 73 Cb -0.04 -1.65 1.16 0.00 -2.06 0.00 0.00 37.83 35.24 2k0f s LYS 73 CO 0.39 -3.16 1.96 -0.44 0.10 0.00 0.00 175.35 174.21 2k0f h ASP 74 N -2.21 0.00 0.17 0.03 3.32 -1.99 -1.37 116.42 114.36 2k0f h ASP 74 Ca -0.56 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 2k0f h ASP 74 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k0f h ASP 74 CO 0.51 0.20 -0.08 0.71 -1.72 0.00 0.00 179.24 178.86 2k0f h THR 75 N 0.00 0.95 -0.53 0.35 1.35 -1.99 -1.84 112.91 111.20 2k0f h THR 75 Ca -0.00 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2k0f h THR 75 Cb 0.49 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2k0f h THR 75 CO 0.03 0.19 0.33 0.44 -0.25 0.00 0.00 175.52 176.26 2k0f h ASP 76 N -0.68 0.63 1.25 5.36 3.32 -1.85 -2.32 116.42 122.11 2k0f h ASP 76 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2k0f h ASP 76 Cb 0.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2k0f h ASP 76 CO 0.04 0.49 0.00 -1.28 -1.72 0.00 0.00 179.24 176.77 2k0f h SER 77 N 0.71 0.00 0.29 6.45 0.87 -1.35 -0.83 113.55 119.68 2k0f h SER 77 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2k0f h SER 77 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2k0f h SER 77 CO -0.04 0.00 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.04 2k0f h GLU 78 N 0.00 -0.38 -0.11 2.24 4.81 -1.01 -3.34 114.58 116.79 2k0f h GLU 78 Ca 0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 78 Cb 0.62 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2k0f h GLU 78 CO 0.00 -0.04 0.01 0.93 -0.73 0.00 0.00 179.01 179.18 2k0f h GLU 79 N -0.79 0.16 -0.77 1.92 4.39 -0.88 -1.25 114.58 117.35 2k0f h GLU 79 Ca -0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 79 Cb 0.51 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2k0f h GLU 79 CO 0.07 0.17 0.45 1.49 -1.16 0.00 0.00 179.01 180.02 2k0f h GLU 80 N 0.16 1.05 0.00 2.33 4.81 -1.32 -0.05 114.58 121.56 2k0f h GLU 80 Ca 0.04 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 2k0f h GLU 80 Cb 0.09 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2k0f h GLU 80 CO -0.00 0.75 -1.07 0.82 -0.73 0.00 0.00 179.01 178.79 2k0f h ILE 81 N 1.07 0.49 -0.22 2.32 2.04 -1.45 -2.38 117.51 119.37 2k0f h ILE 81 Ca 0.28 -1.85 -0.19 0.00 1.00 0.00 0.00 64.86 64.09 2k0f h ILE 81 Cb -0.02 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2k0f h ILE 81 CO -0.05 0.28 -0.61 -0.09 0.00 0.00 0.00 178.15 177.68 2k0f h ARG 82 N 0.00 0.81 -0.46 2.37 2.43 -1.06 -1.85 114.38 116.62 2k0f h ARG 82 Ca -0.09 -0.57 -0.12 0.00 -0.81 0.00 0.00 59.98 58.39 2k0f h ARG 82 Cb 1.42 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 2k0f h ARG 82 CO 0.04 1.19 -0.18 1.49 -1.51 0.00 0.00 179.97 181.00 2k0f h GLU 83 N 0.56 0.89 0.00 0.20 4.57 -1.05 -2.77 114.58 116.98 2k0f h GLU 83 Ca -0.01 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2k0f h GLU 83 Cb 1.23 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2k0f h GLU 83 CO 0.13 1.00 -0.05 0.00 -1.18 0.00 0.00 179.01 178.91 2k0f h ALA 84 N 1.01 1.22 -0.22 2.92 0.00 -1.36 -1.56 119.26 121.26 2k0f h ALA 84 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 84 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 84 CO 0.06 0.06 0.10 0.35 0.00 0.00 0.00 179.25 179.82 2k0f h PHE 85 N 0.00 0.33 -0.00 0.00 3.04 -1.04 -3.26 116.94 116.01 2k0f h PHE 85 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2k0f h PHE 85 Cb 0.21 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2k0f h PHE 85 CO 0.00 0.34 0.00 0.54 -2.02 0.00 0.00 178.31 177.17 2k0f n ARG 86 N -4.83 1.00 -0.07 1.11 1.74 -0.59 -1.37 116.66 113.65 2k0f n ARG 86 Ca -0.03 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.92 2k0f n ARG 86 Cb 0.11 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.02 1.12 -0.48 1.55 2.07 -1.58 -3.33 116.25 115.61 2k0f h VAL 87 Ca 0.00 -1.95 0.05 0.00 0.82 0.00 0.00 66.70 65.62 2k0f h VAL 87 Cb 0.00 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2k0f h VAL 87 CO 0.00 0.38 0.22 -0.26 0.02 0.00 0.00 177.57 177.93 2k0f h PHE 88 N -1.00 0.40 -3.56 1.57 0.04 -1.59 -3.45 116.94 109.35 2k0f h PHE 88 Ca -0.07 0.02 -0.63 0.00 2.80 0.00 0.00 57.97 60.09 2k0f h PHE 88 Cb 0.83 -0.11 -0.13 0.00 2.20 0.00 0.00 35.95 38.74 2k0f h PHE 88 CO 0.15 0.18 0.24 0.34 -0.60 0.00 0.00 178.31 178.62 2k0f s ASP 89 N -5.45 6.45 -0.17 2.17 2.15 -0.47 -4.66 116.67 116.68 2k0f s ASP 89 Ca -0.13 0.13 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 2k0f s ASP 89 Cb 0.14 -2.35 -0.23 0.00 -0.30 0.00 0.00 42.92 40.18 2k0f s ASP 89 CO 0.73 -0.69 0.15 1.17 -0.17 0.00 0.00 175.17 176.36 2k0f n LYS 90 N 6.26 0.71 0.21 4.34 4.81 -1.26 -4.56 118.16 128.67 2k0f n LYS 90 Ca 0.00 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.59 2k0f n LYS 90 Cb 0.48 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.85 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N -0.01 -0.51 0.00 3.14 3.04 -1.96 -3.48 116.42 116.63 2k0f h ASP 91 Ca -0.48 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 2k0f h ASP 91 Cb 1.96 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 40.38 2k0f h ASP 91 CO 0.01 -0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.73 2k0f n GLY 92 N 0.25 1.96 0.08 7.15 0.00 -1.26 -5.07 105.19 108.30 2k0f n GLY 92 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 7.08 -1.94 -3.49 115.58 118.85 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.88 0.00 0.61 -2.08 0.00 0.00 177.43 176.84 2k0f n GLY 94 N 1.45 1.07 2.73 9.14 0.00 -1.26 -5.07 105.19 113.25 2k0f n GLY 94 Ca -0.10 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 0.41 -0.16 1.61 2.02 -1.26 -3.89 117.35 114.08 2k0f s TYR 95 Ca 0.00 0.01 -0.25 0.00 -0.37 0.00 0.00 57.07 56.46 2k0f s TYR 95 Cb 0.00 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.88 2k0f s TYR 95 CO 0.00 -0.27 0.83 0.42 -1.57 0.00 0.00 175.55 174.96 2k0f s ILE 96 N 2.03 4.89 0.53 2.71 1.01 -0.18 -4.83 121.20 127.35 2k0f s ILE 96 Ca 0.05 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.37 2k0f s ILE 96 Cb -0.12 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 96 CO -0.04 0.04 0.73 -0.94 0.00 0.00 0.00 174.94 174.73 2k0f s SER 97 N 1.14 5.26 0.24 3.58 1.04 -1.26 -2.38 113.70 121.33 2k0f s SER 97 Ca 0.38 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2k0f s SER 97 Cb -0.17 -0.50 0.29 0.00 0.10 0.00 0.00 66.02 65.74 2k0f s SER 97 CO 0.13 -1.13 1.69 0.00 0.98 0.00 0.00 173.24 174.91 2k0f h ALA 98 N 0.21 1.00 -0.44 5.32 0.00 -1.96 -3.10 119.26 120.29 2k0f h ALA 98 Ca -0.39 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 98 Cb 1.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k0f h ALA 98 CO 0.46 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 180.19 2k0f h ALA 99 N 1.19 0.61 0.42 0.00 0.00 -1.99 -0.17 119.26 119.32 2k0f h ALA 99 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k0f h ALA 99 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k0f h ALA 99 CO 0.04 0.51 -0.20 0.93 0.00 0.00 0.00 179.25 180.53 2k0f h GLU 100 N 0.69 -0.55 -0.29 0.00 5.08 -1.89 -2.68 114.58 114.95 2k0f h GLU 100 Ca 0.11 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 100 Cb 0.67 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2k0f h GLU 100 CO 0.05 -0.36 0.06 1.25 -1.00 0.00 0.00 179.01 179.00 2k0f h LEU 101 N -0.57 0.37 -0.32 1.33 5.85 -1.39 -2.02 115.31 118.56 2k0f h LEU 101 Ca -0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2k0f h LEU 101 Cb 0.44 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 101 CO 0.09 0.39 0.16 -0.09 -0.34 0.00 0.00 178.44 178.65 2k0f h ARG 102 N 0.41 0.46 -0.19 1.25 2.43 -1.02 -2.59 114.38 115.13 2k0f h ARG 102 Ca 0.10 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 102 Cb 0.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2k0f h ARG 102 CO -0.00 0.41 -0.54 1.25 -1.51 0.00 0.00 179.97 179.58 2k0f h HIS 103 N 0.39 0.71 0.31 2.20 2.76 -1.07 0.15 115.15 120.59 2k0f h HIS 103 Ca 0.11 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 2k0f h HIS 103 Cb 0.10 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 2k0f h HIS 103 CO -0.02 0.98 -0.51 0.28 -1.30 0.00 0.00 177.93 177.36 2k0f h VAL 104 N 0.44 0.02 -0.34 5.26 2.07 -1.42 0.82 116.25 123.09 2k0f h VAL 104 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2k0f h VAL 104 Cb 1.09 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 2k0f h VAL 104 CO 0.10 0.00 -0.28 0.24 0.02 0.00 0.00 177.57 177.66 2k0f h MET 105 N -0.87 -0.23 -0.92 1.57 2.07 -1.42 -2.30 114.93 112.84 2k0f h MET 105 Ca -0.03 0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.82 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.55 2k0f h MET 105 CO -0.18 -0.15 0.53 1.15 1.07 0.00 0.00 176.91 179.33 2k0f h THR 106 N -0.24 1.26 -0.36 2.22 2.02 -0.58 -0.53 112.91 116.70 2k0f h THR 106 Ca 0.17 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2k0f h THR 106 Cb 0.50 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2k0f h THR 106 CO -0.48 0.28 0.17 0.78 0.37 0.00 0.00 175.52 176.64 2k0f h ASN 107 N 1.27 0.48 0.20 4.18 2.35 -0.61 -1.98 115.58 121.48 2k0f h ASN 107 Ca 0.33 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2k0f h ASN 107 Cb -0.01 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2k0f h ASN 107 CO -0.06 0.48 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.06 2k0f h LEU 108 N 0.44 0.00 0.00 1.61 3.38 -1.31 -3.46 115.31 115.97 2k0f h LEU 108 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k0f h LEU 108 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2k0f h LEU 108 CO -0.01 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2k0f n GLY 109 N -0.97 1.61 3.80 0.83 0.00 -0.74 -5.07 105.19 104.64 2k0f n GLY 109 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.56 4.02 -0.30 1.61 0.41 -0.25 -4.99 118.70 118.63 2k0f s GLU 110 Ca 0.00 0.33 -0.10 0.00 -0.41 0.00 0.00 54.97 54.80 2k0f s GLU 110 Cb 0.00 -3.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.05 2k0f s GLU 110 CO 0.00 0.53 0.15 0.15 -0.49 0.00 0.00 175.26 175.60 2k0f s LYS 111 N -0.53 3.44 0.22 1.61 3.01 -1.26 -4.26 119.74 121.96 2k0f s LYS 111 Ca 0.22 -0.65 -0.08 0.00 -1.01 0.00 0.00 55.97 54.45 2k0f s LYS 111 Cb -0.16 -3.56 -0.02 0.00 -1.01 0.00 0.00 37.83 33.09 2k0f s LYS 111 CO 0.11 -0.37 0.33 -0.48 0.51 0.00 0.00 175.35 175.45 2k0f s LEU 112 N 1.63 0.70 0.00 3.17 2.34 -1.26 -5.16 118.68 120.10 2k0f s LEU 112 Ca 0.05 -1.06 0.01 0.00 0.06 0.00 0.00 54.13 53.19 2k0f s LEU 112 Cb -0.17 1.22 0.13 0.00 -0.56 0.00 0.00 46.19 46.82 2k0f s LEU 112 CO 0.07 -1.00 0.95 0.35 -1.06 0.00 0.00 176.35 175.65 2k0f n THR 113 N -0.32 0.00 1.02 5.48 -2.24 -1.26 -5.02 114.28 111.94 2k0f n THR 113 Ca -0.02 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.29 2k0f n THR 113 Cb 0.63 -0.84 0.24 0.00 -2.10 0.00 0.00 70.33 68.26 2k0f n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k0f n ASP 114 N -2.82 0.56 0.00 3.42 8.00 -1.26 -3.06 116.55 121.39 2k0f n ASP 114 Ca 0.16 -0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 2k0f n ASP 114 Cb 0.58 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.87 2k0f n ASP 114 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2k0f h GLU 115 N 0.08 0.04 -0.83 -1.24 4.81 -1.99 -3.15 114.58 112.29 2k0f h GLU 115 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 115 Cb 0.50 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 115 CO 0.00 0.31 0.50 0.93 -0.73 0.00 0.00 179.01 180.01 2k0f h GLU 116 N -0.23 1.14 -0.26 1.92 4.39 -1.94 -2.09 114.58 117.51 2k0f h GLU 116 Ca 0.01 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 116 Cb 0.29 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 116 CO 0.00 0.81 0.04 0.28 -1.16 0.00 0.00 179.01 178.98 2k0f h VAL 117 N 1.15 1.23 -0.93 3.13 2.07 -1.58 -2.07 116.25 119.25 2k0f h VAL 117 Ca 0.30 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2k0f h VAL 117 Cb -0.03 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2k0f h VAL 117 CO -0.05 0.25 0.60 -0.78 0.02 0.00 0.00 177.57 177.60 2k0f h ASP 118 N 0.23 0.87 1.14 0.57 3.58 -1.51 0.11 116.42 121.42 2k0f h ASP 118 Ca 0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2k0f h ASP 118 Cb 0.33 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k0f h ASP 118 CO 0.00 0.52 0.00 1.21 -2.88 0.00 0.00 179.24 178.09 2k0f n GLU 119 N -4.53 0.17 -0.05 0.28 4.07 -0.79 -1.79 120.64 117.99 2k0f n GLU 119 Ca 0.16 0.21 -0.18 0.00 -0.06 0.00 0.00 57.16 57.29 2k0f n GLU 119 Cb 0.28 -1.72 -0.14 0.00 -0.06 0.00 0.00 31.44 29.80 2k0f n GLU 119 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 2k0f n MET 120 N -2.02 0.70 0.07 5.31 1.56 0.02 -2.72 117.12 120.04 2k0f n MET 120 Ca 0.05 0.21 -0.12 0.00 -0.27 0.00 0.00 57.70 57.57 2k0f n MET 120 Cb 0.35 -1.65 -0.05 0.00 2.15 0.00 0.00 33.22 34.02 2k0f n MET 120 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2k0f h ILE 121 N 0.03 0.68 -0.74 1.12 1.08 -0.90 -2.92 117.51 115.87 2k0f h ILE 121 Ca -0.46 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.17 2k0f h ILE 121 Cb 2.01 0.68 -0.11 0.00 -3.07 0.00 0.00 36.82 36.33 2k0f h ILE 121 CO 0.03 0.00 0.19 -0.09 -0.69 0.00 0.00 178.15 177.59 2k0f h ARG 122 N -0.25 0.27 -0.39 2.37 2.43 -1.44 -0.19 114.38 117.19 2k0f h ARG 122 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2k0f h ARG 122 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2k0f h ARG 122 CO -0.10 0.18 0.12 1.49 -1.51 0.00 0.00 179.97 180.15 2k0f h GLU 123 N 0.28 0.56 0.10 0.20 4.81 -1.41 -2.32 114.58 116.80 2k0f h GLU 123 Ca 0.42 -0.08 -0.28 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 123 Cb 0.71 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.00 2k0f h GLU 123 CO -0.50 0.50 -1.19 0.00 -0.73 0.00 0.00 179.01 177.09 2k0f h ALA 124 N 1.58 0.10 -2.10 2.92 0.00 -1.28 -3.46 119.26 117.02 2k0f h ALA 124 Ca 0.13 -0.79 -0.58 0.00 0.00 0.00 0.00 54.91 53.68 2k0f h ALA 124 Cb 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 124 CO -0.01 0.78 0.71 0.34 0.00 0.00 0.00 179.25 181.07 2k0f s ASP 125 N -7.30 6.96 -0.13 0.00 2.15 -0.12 -4.80 116.67 113.43 2k0f s ASP 125 Ca -0.07 1.15 0.08 0.00 0.43 0.00 0.00 52.55 54.13 2k0f s ASP 125 Cb 0.07 -2.51 -0.23 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.91 -0.69 0.32 -0.38 -0.17 0.00 0.00 175.17 175.16 2k0f n ILE 126 N 5.48 1.58 0.02 4.11 2.08 -1.26 -4.24 119.36 127.12 2k0f n ILE 126 Ca 0.10 -0.75 -0.16 0.00 0.56 0.00 0.00 62.75 62.50 2k0f n ILE 126 Cb 0.47 -1.11 -0.06 0.00 -0.75 0.00 0.00 39.64 38.19 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2k0f h ASP 127 N 0.02 0.81 -0.35 4.38 3.32 -1.91 -3.48 116.42 119.21 2k0f h ASP 127 Ca -0.42 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.05 2k0f h ASP 127 Cb 2.06 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.37 2k0f h ASP 127 CO 0.05 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.54 2k0f n GLY 128 N 0.80 0.87 0.00 2.75 0.00 -1.26 -4.98 105.19 103.37 2k0f n GLY 128 Ca -0.08 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.44 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 1.31 0.84 0.00 1.61 5.75 -1.26 -4.97 116.55 119.83 2k0f n ASP 129 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.95 2k0f n ASP 129 Cb 0.37 1.08 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.42 0.71 3.49 6.12 0.00 -1.26 -5.07 105.19 110.60 2k0f n GLY 130 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.37 1.70 -0.22 1.61 -0.21 -1.26 -4.59 119.66 116.32 2k0f s GLN 131 Ca 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 55.36 53.51 2k0f s GLN 131 Cb 0.00 -1.51 0.06 0.00 1.00 0.00 0.00 33.01 32.57 2k0f s GLN 131 CO 0.00 0.13 0.01 0.08 -2.12 0.00 0.00 175.29 173.39 2k0f s VAL 132 N -2.75 0.90 0.57 1.09 1.01 -1.00 -4.69 120.40 115.53 2k0f s VAL 132 Ca 0.31 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 2k0f s VAL 132 Cb 0.02 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.17 2k0f s VAL 132 CO 0.14 -0.22 0.77 -0.46 0.00 0.00 0.00 175.10 175.34 2k0f n ASN 133 N 4.90 0.40 0.22 3.32 0.23 -1.26 -1.01 115.26 122.06 2k0f n ASN 133 Ca -0.09 -1.49 -0.16 0.00 -0.53 0.00 0.00 54.58 52.31 2k0f n ASN 133 Cb 0.46 -0.56 -0.08 0.00 -2.08 0.00 0.00 39.78 37.52 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 -1.10 -1.08 -0.39 -2.53 3.20 -2.00 -1.94 116.97 111.14 2k0f h TYR 134 Ca -0.25 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.66 2k0f h TYR 134 Cb 0.78 0.43 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 2k0f h TYR 134 CO 0.00 -0.54 -0.23 0.39 -1.64 0.00 0.00 178.16 176.14 2k0f n GLU 135 N -5.48 -0.17 0.07 1.82 4.71 -1.26 -2.25 120.64 118.08 2k0f n GLU 135 Ca -0.10 1.11 0.12 0.00 -0.01 0.00 0.00 57.16 58.29 2k0f n GLU 135 Cb 0.39 -1.65 0.60 0.00 -1.01 0.00 0.00 31.44 29.76 2k0f n GLU 135 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 136 N 0.00 0.15 0.12 3.49 5.08 -1.86 -2.11 114.58 119.45 2k0f h GLU 136 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 136 Cb 0.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 136 CO -0.37 0.10 -0.06 0.35 -1.00 0.00 0.00 179.01 178.04 2k0f h PHE 137 N 0.16 -0.16 -0.04 4.33 3.57 -1.17 -3.33 116.94 120.31 2k0f h PHE 137 Ca 0.16 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 137 Cb 0.42 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.22 2k0f h PHE 137 CO -0.00 0.32 -0.91 0.28 -2.23 0.00 0.00 178.31 175.77 2k0f h VAL 138 N -0.78 1.34 -0.41 1.41 2.07 -1.34 -2.14 116.25 116.41 2k0f h VAL 138 Ca -0.02 -2.25 0.07 0.00 0.82 0.00 0.00 66.70 65.32 2k0f h VAL 138 Cb 0.55 2.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 2k0f h VAL 138 CO 0.03 0.69 0.04 -0.61 0.02 0.00 0.00 177.57 177.74 2k0f h GLN 139 N 0.34 0.15 0.00 1.57 5.75 -1.53 0.23 115.11 121.63 2k0f h GLN 139 Ca -0.08 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.32 2k0f h GLN 139 Cb 1.54 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 2k0f h GLN 139 CO 0.17 0.10 -0.42 0.00 -2.65 0.00 0.00 178.83 176.03 2k0f h MET 140 N 0.16 0.00 -0.00 1.69 -0.00 -1.63 -3.27 114.93 111.88 2k0f h MET 140 Ca 0.20 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.66 2k0f h MET 140 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.87 2k0f h MET 140 CO -0.29 0.42 -0.98 0.52 -0.00 0.00 0.00 176.91 176.58 2k0f h MET 141 N 0.00 0.52 0.00 -0.10 2.86 -0.81 -3.49 114.93 113.91 2k0f h MET 141 Ca -0.00 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2k0f h MET 141 Cb 1.15 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2k0f h MET 141 CO 0.05 1.19 0.00 0.25 1.06 0.00 0.00 176.91 179.46