#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 0.21 0.10 -0.78 -0.00 -1.26 -2.42 120.64 116.49 2k0f n GLU 2 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.16 57.59 2k0f n GLU 2 Cb 0.00 -1.89 0.30 0.00 -0.00 0.00 0.00 31.44 29.85 2k0f n GLU 2 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2k0f h GLU 3 N 0.00 0.24 -0.06 3.44 9.09 -2.05 -0.07 114.58 125.17 2k0f h GLU 3 Ca 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.32 2k0f h GLU 3 Cb 0.38 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 2k0f h GLU 3 CO 0.00 0.50 -0.01 0.37 0.05 0.00 0.00 179.01 179.93 2k0f h GLN 4 N 0.21 0.11 -0.25 1.06 4.15 -1.92 -2.62 115.11 115.85 2k0f h GLN 4 Ca 0.03 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 4 Cb 0.61 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 2k0f h GLN 4 CO 0.04 0.42 -0.12 0.82 -1.93 0.00 0.00 178.83 178.07 2k0f h ILE 5 N -0.21 0.63 -0.57 2.39 1.08 -1.45 -2.00 117.51 117.38 2k0f h ILE 5 Ca 0.02 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.60 2k0f h ILE 5 Cb 0.37 0.63 -0.09 0.00 -3.07 0.00 0.00 36.82 34.66 2k0f h ILE 5 CO 0.00 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.50 2k0f h ALA 6 N 1.13 0.58 0.00 1.87 0.00 -0.87 0.67 119.26 122.65 2k0f h ALA 6 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k0f h ALA 6 Cb 0.28 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 6 CO -0.31 -0.37 0.00 1.05 0.00 0.00 0.00 179.25 179.62 2k0f h GLU 7 N 0.15 0.00 -0.07 0.00 4.11 -1.26 -0.55 114.58 116.97 2k0f h GLU 7 Ca 0.29 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.50 2k0f h GLU 7 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2k0f h GLU 7 CO -0.45 0.00 -0.86 0.74 0.07 0.00 0.00 179.01 178.51 2k0f h PHE 8 N 0.00 0.82 -0.70 2.06 0.04 -0.46 -3.12 116.94 115.58 2k0f h PHE 8 Ca 0.00 -0.40 -0.04 0.00 2.80 0.00 0.00 57.97 60.33 2k0f h PHE 8 Cb 0.73 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.73 2k0f h PHE 8 CO 0.00 1.21 0.29 -0.22 -0.60 0.00 0.00 178.31 178.99 2k0f h LYS 9 N 0.37 1.03 -0.15 1.51 3.64 0.18 -1.30 116.57 121.85 2k0f h LYS 9 Ca -0.07 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 2k0f h LYS 9 Cb 1.48 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2k0f h LYS 9 CO 0.16 0.83 -0.55 0.93 -2.27 0.00 0.00 179.45 178.55 2k0f h GLU 10 N 1.01 0.45 -0.23 1.90 4.39 -1.39 -2.29 114.58 118.42 2k0f h GLU 10 Ca 0.24 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 10 Cb 0.18 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k0f h GLU 10 CO -0.02 0.88 -0.37 0.00 -1.16 0.00 0.00 179.01 178.34 2k0f h ALA 11 N 1.06 0.93 -0.30 3.43 0.00 -1.41 -0.28 119.26 122.69 2k0f h ALA 11 Ca 0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2k0f h ALA 11 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 11 CO 0.10 0.62 -0.33 0.35 0.00 0.00 0.00 179.25 179.99 2k0f h PHE 12 N 0.44 0.76 -0.12 0.00 3.57 -1.14 -2.19 116.94 118.26 2k0f h PHE 12 Ca 0.04 -0.20 -0.17 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 12 Cb 0.85 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 2k0f h PHE 12 CO 0.03 0.90 -0.66 0.77 -2.23 0.00 0.00 178.31 177.12 2k0f h SER 13 N 0.55 0.53 0.49 0.41 0.02 -1.31 -3.23 113.55 111.01 2k0f h SER 13 Ca 0.06 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 2k0f h SER 13 Cb 0.84 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2k0f h SER 13 CO 0.07 1.05 -0.35 0.25 -1.14 0.00 0.00 176.83 176.70 2k0f h LEU 14 N 0.33 0.00 -0.42 5.07 5.85 -0.89 -2.94 115.31 122.31 2k0f h LEU 14 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2k0f h LEU 14 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2k0f h LEU 14 CO 0.12 0.35 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.22 2k0f h PHE 15 N 0.00 0.90 -3.35 1.25 0.04 -1.45 -3.45 116.94 110.88 2k0f h PHE 15 Ca -0.00 -0.19 -0.56 0.00 2.80 0.00 0.00 57.97 60.02 2k0f h PHE 15 Cb 0.69 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 2k0f h PHE 15 CO 0.00 0.92 0.32 0.34 -0.60 0.00 0.00 178.31 179.29 2k0f s ASP 16 N -6.41 7.16 -0.02 2.17 -1.08 -1.11 -4.75 116.67 112.64 2k0f s ASP 16 Ca -0.12 1.41 -0.22 0.00 -0.52 0.00 0.00 52.55 53.10 2k0f s ASP 16 Cb 0.11 -2.50 -0.22 0.00 -1.46 0.00 0.00 42.92 38.85 2k0f s ASP 16 CO 0.82 -0.27 1.10 0.11 0.52 0.00 0.00 175.17 177.45 2k0f h LYS 17 N 6.93 0.28 0.13 4.34 1.79 -1.87 -3.36 116.57 124.81 2k0f h LYS 17 Ca -0.37 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 57.82 2k0f h LYS 17 Cb 1.19 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2k0f h LYS 17 CO 0.78 0.95 -0.06 -0.44 -1.08 0.00 0.00 179.45 179.61 2k0f h ASP 18 N -0.29 -0.15 -0.03 0.86 3.32 -1.95 -3.48 116.42 114.71 2k0f h ASP 18 Ca -0.04 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 2k0f h ASP 18 Cb 1.06 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2k0f h ASP 18 CO 0.07 0.15 -0.01 0.61 -1.72 0.00 0.00 179.24 178.34 2k0f n GLY 19 N -0.40 0.38 0.01 2.75 0.00 -1.26 -5.02 105.19 101.65 2k0f n GLY 19 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.01 0.00 1.61 2.03 -1.94 -3.50 116.42 114.61 2k0f h ASP 20 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2k0f h ASP 20 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2k0f h ASP 20 CO 0.01 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 178.90 2k0f n GLY 21 N 1.76 0.00 2.97 7.15 0.00 -1.26 -5.16 105.19 110.66 2k0f n GLY 21 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N 0.00 0.07 -0.26 2.61 -4.23 -1.26 -4.57 115.64 107.99 2k0f s THR 22 Ca 0.00 -0.56 -0.14 0.00 -1.18 0.00 0.00 61.69 59.81 2k0f s THR 22 Cb 0.00 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 2k0f s THR 22 CO 0.00 -0.31 0.33 -0.63 -0.54 0.00 0.00 174.62 173.47 2k0f s ILE 23 N -0.94 5.21 0.54 2.99 1.01 -0.99 -4.95 121.20 124.07 2k0f s ILE 23 Ca -0.10 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 2k0f s ILE 23 Cb -0.06 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2k0f s ILE 23 CO -0.00 0.19 0.79 0.42 0.00 0.00 0.00 174.94 176.33 2k0f s THR 24 N 1.91 3.13 0.15 2.92 -4.23 -1.26 -3.02 115.64 115.23 2k0f s THR 24 Ca 0.13 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 2k0f s THR 24 Cb -0.16 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.51 2k0f s THR 24 CO 0.10 -0.15 1.62 0.71 -0.54 0.00 0.00 174.62 176.35 2k0f h THR 25 N 0.06 0.32 -0.85 3.99 1.35 -1.95 -1.01 112.91 114.82 2k0f h THR 25 Ca -0.44 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.51 2k0f h THR 25 Cb 1.28 0.32 -0.11 0.00 -1.73 0.00 0.00 68.15 67.91 2k0f h THR 25 CO 0.56 0.00 -0.47 0.29 -0.25 0.00 0.00 175.52 175.65 2k0f n LYS 26 N -5.40 -0.34 -0.02 4.72 4.76 -1.26 0.30 118.16 120.92 2k0f n LYS 26 Ca -0.01 1.30 -0.16 0.00 -2.87 0.00 0.00 58.31 56.57 2k0f n LYS 26 Cb 0.31 -1.91 -0.05 0.00 -1.84 0.00 0.00 35.03 31.55 2k0f n LYS 26 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2k0f h GLU 27 N 0.00 0.75 -0.18 1.97 5.08 -1.91 -3.14 114.58 117.14 2k0f h GLU 27 Ca 0.17 -0.58 -0.19 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 27 Cb 0.38 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 27 CO -0.81 1.19 -0.65 1.25 -1.00 0.00 0.00 179.01 178.99 2k0f h LEU 28 N 0.53 0.77 -0.90 1.33 5.85 -0.98 -1.52 115.31 120.39 2k0f h LEU 28 Ca -0.03 -0.46 0.21 0.00 0.84 0.00 0.00 57.88 58.44 2k0f h LEU 28 Cb 1.34 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 2k0f h LEU 28 CO 0.15 1.22 0.42 1.23 -0.34 0.00 0.00 178.44 181.11 2k0f h GLY 29 N 0.88 1.54 0.61 3.75 0.00 -0.24 -1.74 103.07 107.87 2k0f h GLY 29 Ca -0.02 -0.20 -0.26 0.00 0.00 0.00 0.00 47.33 46.86 2k0f h GLY 29 CO 0.13 -0.22 -1.31 -0.84 0.00 0.00 0.00 176.54 174.29 2k0f h THR 30 N 0.45 1.12 -0.92 4.70 2.02 -1.47 -3.07 112.91 115.75 2k0f h THR 30 Ca 0.55 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 2k0f h THR 30 Cb 1.01 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 70.18 2k0f h THR 30 CO -0.49 0.71 0.54 0.58 0.37 0.00 0.00 175.52 177.23 2k0f h VAL 31 N -0.30 1.26 -0.40 3.16 2.07 -1.30 -1.76 116.25 118.98 2k0f h VAL 31 Ca -0.27 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2k0f h VAL 31 Cb 1.76 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2k0f h VAL 31 CO 0.08 0.27 0.18 -0.03 0.02 0.00 0.00 177.57 178.10 2k0f h MET 32 N 1.27 0.59 0.00 1.57 4.05 -1.29 -2.82 114.93 118.30 2k0f h MET 32 Ca 0.33 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 2k0f h MET 32 Cb -0.03 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 2k0f h MET 32 CO -0.06 0.54 -0.24 -0.09 0.23 0.00 0.00 176.91 177.29 2k0f h ARG 33 N 0.51 0.00 0.00 0.39 9.65 -1.43 -0.56 114.38 122.94 2k0f h ARG 33 Ca 0.14 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2k0f h ARG 33 Cb 0.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2k0f h ARG 33 CO -0.01 0.24 -0.30 0.77 2.80 0.00 0.00 179.97 183.46 2k0f h SER 34 N 0.00 0.00 0.02 -3.80 0.02 -1.07 -3.16 113.55 105.57 2k0f h SER 34 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2k0f h SER 34 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k0f h SER 34 CO 0.03 0.30 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.77 2k0f h LEU 35 N 0.00 0.12 0.00 5.07 3.38 -1.19 -3.44 115.31 119.25 2k0f h LEU 35 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2k0f h LEU 35 Cb 0.69 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k0f h LEU 35 CO 0.04 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2k0f n GLY 36 N 1.43 -1.94 3.99 0.83 0.00 -0.30 -4.98 105.19 104.22 2k0f n GLY 36 Ca -0.10 0.69 -0.18 0.00 0.00 0.00 0.00 46.02 46.43 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 2.84 -0.26 1.61 -0.21 -1.25 -4.65 119.66 117.74 2k0f s GLN 37 Ca 0.00 -1.24 -0.19 0.00 0.02 0.00 0.00 55.36 53.95 2k0f s GLN 37 Cb 0.00 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.26 2k0f s GLN 37 CO 0.00 -0.21 0.58 -0.80 -2.12 0.00 0.00 175.29 172.74 2k0f s ASN 38 N -4.30 6.51 0.60 5.90 0.01 -1.26 -3.21 114.94 119.19 2k0f s ASN 38 Ca 0.53 0.61 -0.14 0.00 -0.71 0.00 0.00 52.86 53.15 2k0f s ASN 38 Cb -0.09 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2k0f s ASN 38 CO 0.32 -0.34 1.03 -2.16 -1.51 0.00 0.00 177.10 174.44 2k0f s PRO 39 N 2.42 3.53 0.00 -0.60 0.04 -1.26 -5.07 135.00 134.06 2k0f s PRO 39 Ca 0.24 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 2k0f s PRO 39 Cb -0.16 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2k0f s PRO 39 CO 0.09 -0.63 0.53 -0.08 0.04 0.00 0.00 177.00 176.95 2k0f s THR 40 N -2.84 4.92 0.10 1.26 -1.32 -1.26 -4.99 115.64 111.51 2k0f s THR 40 Ca 0.58 1.10 -0.09 0.00 -1.21 0.00 0.00 61.69 62.08 2k0f s THR 40 Cb -0.12 -3.85 -0.22 0.00 -1.51 0.00 0.00 72.50 66.80 2k0f s THR 40 CO 0.44 0.48 1.24 -0.08 -2.21 0.00 0.00 174.62 174.49 2k0f h GLU 41 N 5.24 0.54 -0.49 7.08 4.81 -1.97 -2.41 114.58 127.38 2k0f h GLU 41 Ca -0.47 -0.60 -0.07 0.00 -0.13 0.00 0.00 59.36 58.09 2k0f h GLU 41 Cb 1.21 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2k0f h GLU 41 CO 0.67 1.22 0.03 0.00 -0.73 0.00 0.00 179.01 180.20 2k0f h ALA 42 N 0.56 1.15 0.00 2.92 0.00 -1.99 -0.19 119.26 121.72 2k0f h ALA 42 Ca -0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 42 Cb 1.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2k0f h ALA 42 CO 0.19 0.56 -0.40 0.93 0.00 0.00 0.00 179.25 180.53 2k0f h GLU 43 N 0.74 0.00 -0.02 0.00 5.08 -1.94 -2.22 114.58 116.23 2k0f h GLU 43 Ca 0.15 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 43 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 43 CO 0.01 0.40 -0.88 1.25 -1.00 0.00 0.00 179.01 178.79 2k0f h LEU 44 N 0.00 0.44 -0.88 1.33 5.85 -0.81 -1.12 115.31 120.12 2k0f h LEU 44 Ca -0.00 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2k0f h LEU 44 Cb 0.91 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2k0f h LEU 44 CO 0.05 1.12 -0.26 -0.61 -0.34 0.00 0.00 178.44 178.41 2k0f h GLN 45 N 0.20 0.00 0.30 1.25 5.75 -0.87 -1.68 115.11 120.06 2k0f h GLN 45 Ca -0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2k0f h GLN 45 Cb 1.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.05 2k0f h GLN 45 CO 0.15 0.26 -0.14 0.22 -2.65 0.00 0.00 178.83 176.66 2k0f h ASP 46 N 0.00 -0.34 -0.96 -0.69 3.58 -0.97 -2.43 116.42 114.62 2k0f h ASP 46 Ca -0.00 -0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.38 2k0f h ASP 46 Cb 0.86 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 2k0f h ASP 46 CO 0.03 -0.04 0.62 0.24 -2.88 0.00 0.00 179.24 177.22 2k0f h MET 47 N -0.65 1.05 -0.44 0.28 2.86 -1.03 -1.15 114.93 115.85 2k0f h MET 47 Ca -0.04 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 47 Cb 0.46 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2k0f h MET 47 CO 0.07 0.69 -0.14 0.82 1.06 0.00 0.00 176.91 179.41 2k0f h ILE 48 N 1.08 1.26 0.00 -1.22 1.08 -1.30 -3.13 117.51 115.28 2k0f h ILE 48 Ca 0.42 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2k0f h ILE 48 Cb 0.23 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2k0f h ILE 48 CO -0.17 0.42 0.00 0.78 -0.69 0.00 0.00 178.15 178.49 2k0f h ASN 49 N 0.73 0.00 0.00 1.72 2.35 -0.69 -0.51 115.58 119.19 2k0f h ASN 49 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2k0f h ASN 49 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2k0f h ASN 49 CO 0.04 0.00 -0.00 -0.08 -1.65 0.00 0.00 177.43 175.74 2k0f h GLU 50 N 0.00 -0.01 0.00 0.81 4.81 -1.53 -3.17 114.58 115.50 2k0f h GLU 50 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 50 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 50 CO 0.00 0.33 -0.16 -0.39 -0.73 0.00 0.00 179.01 178.06 2k0f h VAL 51 N -0.34 0.00 -1.82 0.32 -1.51 -1.65 -3.45 116.25 107.80 2k0f h VAL 51 Ca -0.00 -0.97 -0.51 0.00 -1.23 0.00 0.00 66.70 63.99 2k0f h VAL 51 Cb 0.33 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2k0f h VAL 51 CO 0.00 0.00 1.55 -0.62 -1.23 0.00 0.00 177.57 177.27 2k0f s ASP 52 N -5.98 4.89 -0.07 4.19 2.15 -0.21 -4.87 116.67 116.76 2k0f s ASP 52 Ca 0.06 1.28 -0.08 0.00 0.43 0.00 0.00 52.55 54.24 2k0f s ASP 52 Cb 0.06 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 2k0f s ASP 52 CO 0.69 -2.50 0.34 0.00 -0.17 0.00 0.00 175.17 173.53 2k0f h ALA 53 N 17.50 -0.27 0.95 3.66 0.00 -1.88 -3.40 119.26 135.81 2k0f h ALA 53 Ca -0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 53 Cb 1.25 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k0f h ALA 53 CO 1.10 -0.26 -0.46 0.38 0.00 0.00 0.00 179.25 180.01 2k0f h ASP 54 N -1.07 -1.08 0.00 0.00 3.04 -1.96 -3.48 116.42 111.87 2k0f h ASP 54 Ca -0.03 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 54 Cb 0.23 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 2k0f h ASP 54 CO 0.05 -0.75 0.00 0.61 -2.04 0.00 0.00 179.24 177.11 2k0f n GLY 55 N -1.50 0.66 0.20 7.15 0.00 -1.26 -5.04 105.19 105.40 2k0f n GLY 55 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.93 -3.47 115.58 118.87 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 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.76 0.75 3.18 9.14 0.00 -1.26 -5.06 105.19 112.70 2k0f n GLY 57 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.04 0.83 -0.44 2.61 -4.23 -1.26 -4.93 115.64 106.18 2k0f s THR 58 Ca 0.00 -1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 58.37 2k0f s THR 58 Cb 0.00 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.24 2k0f s THR 58 CO 0.00 -0.78 0.91 -0.51 -0.54 0.00 0.00 174.62 173.70 2k0f s ILE 59 N -3.29 4.52 0.87 2.99 2.07 -1.17 -4.89 121.20 122.29 2k0f s ILE 59 Ca 0.11 0.82 -0.14 0.00 -1.41 0.00 0.00 60.65 60.02 2k0f s ILE 59 Cb 0.03 -4.40 0.20 0.00 0.13 0.00 0.00 42.46 38.42 2k0f s ILE 59 CO -0.03 -0.75 1.18 0.47 -1.91 0.00 0.00 174.94 173.90 2k0f n ASP 60 N 7.03 0.11 -0.02 4.50 9.92 -1.26 -2.36 116.55 134.47 2k0f n ASP 60 Ca 0.06 -1.44 -0.16 0.00 -0.53 0.00 0.00 54.79 52.72 2k0f n ASP 60 Cb 0.48 -0.90 -0.12 0.00 -0.64 0.00 0.00 41.12 39.95 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 -1.66 0.31 0.00 1.24 3.57 -1.96 -1.64 116.94 116.79 2k0f h PHE 61 Ca -0.38 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 60.94 2k0f h PHE 61 Cb 1.05 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2k0f h PHE 61 CO 0.00 0.99 -0.02 -1.35 -2.23 0.00 0.00 178.31 175.70 2k0f h PRO 62 N -0.45 0.00 -0.06 6.41 0.11 -1.98 -1.42 132.00 134.60 2k0f h PRO 62 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2k0f h PRO 62 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2k0f h PRO 62 CO 0.06 0.02 -0.02 0.93 -0.21 0.00 0.00 178.00 178.78 2k0f h GLU 63 N 0.00 0.12 0.02 1.05 5.08 -1.89 -0.09 114.58 118.88 2k0f h GLU 63 Ca -0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 63 Cb 0.42 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2k0f h GLU 63 CO 0.00 0.48 -0.52 0.35 -1.00 0.00 0.00 179.01 178.32 2k0f h PHE 64 N -0.24 -1.53 -0.74 4.33 3.57 -1.10 -2.40 116.94 118.83 2k0f h PHE 64 Ca 0.01 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.67 2k0f h PHE 64 Cb 0.44 0.66 -0.12 0.00 2.79 0.00 0.00 35.95 39.72 2k0f h PHE 64 CO 0.06 -0.57 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.06 2k0f h LEU 65 N -0.68 -1.56 -0.66 0.59 3.38 -1.27 -2.25 115.31 112.86 2k0f h LEU 65 Ca 0.01 0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.28 2k0f h LEU 65 Cb 0.73 0.73 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 2k0f h LEU 65 CO -0.34 -0.31 0.41 0.74 0.09 0.00 0.00 178.44 179.03 2k0f h THR 66 N -0.14 1.09 -0.21 0.22 2.02 -0.98 0.32 112.91 115.24 2k0f h THR 66 Ca 0.22 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 2k0f h THR 66 Cb 0.55 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2k0f h THR 66 CO -0.80 0.15 -0.52 0.00 0.37 0.00 0.00 175.52 174.72 2k0f h MET 67 N 0.81 0.59 0.21 6.66 -0.00 -1.29 -3.31 114.93 118.60 2k0f h MET 67 Ca 0.26 -0.36 -0.33 0.00 -0.00 0.00 0.00 59.70 59.28 2k0f h MET 67 Cb 0.01 0.04 0.02 0.00 -0.00 0.00 0.00 31.60 31.67 2k0f h MET 67 CO -0.10 0.97 -1.48 0.52 -0.00 0.00 0.00 176.91 176.82 2k0f h MET 68 N 0.46 0.45 0.00 -0.10 2.07 -1.22 -3.35 114.93 113.24 2k0f h MET 68 Ca 0.02 -0.76 0.00 0.00 -2.07 0.00 0.00 59.70 56.88 2k0f h MET 68 Cb 1.06 0.28 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 2k0f h MET 68 CO 0.10 1.36 0.00 0.00 1.07 0.00 0.00 176.91 179.44 2k0f n ALA 69 N -2.70 2.09 -2.21 6.32 0.00 0.11 -4.84 120.51 119.28 2k0f n ALA 69 Ca -0.16 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 2k0f n ALA 69 Cb 1.08 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 2k0f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k0f s ARG 70 N -2.90 3.86 -0.11 0.00 1.70 -1.25 -5.06 118.95 115.19 2k0f s ARG 70 Ca 0.14 0.49 0.03 0.00 -0.47 0.00 0.00 55.73 55.92 2k0f s ARG 70 Cb 0.15 -2.45 -0.00 0.00 -0.57 0.00 0.00 34.95 32.08 2k0f s ARG 70 CO 0.41 0.09 -0.23 0.15 -1.08 0.00 0.00 175.30 174.64 2k0f s LYS 71 N -3.38 3.08 0.88 3.89 1.02 -1.26 -5.06 119.74 118.91 2k0f s LYS 71 Ca 0.51 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 2k0f s LYS 71 Cb -0.10 -2.35 0.19 0.00 -0.52 0.00 0.00 37.83 35.05 2k0f s LYS 71 CO 0.25 0.15 1.20 -1.33 -0.92 0.00 0.00 175.35 174.70 2k0f n MET 72 N 3.60 -0.79 -1.01 1.68 2.81 -1.26 -5.09 117.12 117.07 2k0f n MET 72 Ca -0.19 -2.38 -0.35 0.00 -1.81 0.00 0.00 57.70 52.97 2k0f n MET 72 Cb 0.53 -1.07 0.09 0.00 -0.71 0.00 0.00 33.22 32.06 2k0f n MET 72 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k0f n LYS 73 N -3.42 -0.02 0.09 0.03 2.85 -1.26 -4.75 118.16 111.68 2k0f n LYS 73 Ca 0.17 0.03 -0.01 0.00 -1.05 0.00 0.00 58.31 57.46 2k0f n LYS 73 Cb 0.59 -1.71 0.28 0.00 -0.65 0.00 0.00 35.03 33.54 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2k0f h ASP 74 N -1.00 0.27 -0.02 -5.58 5.19 -1.99 -1.73 116.42 111.57 2k0f h ASP 74 Ca -0.44 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 55.90 2k0f h ASP 74 Cb 1.31 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 2k0f h ASP 74 CO 0.36 0.55 -0.45 0.71 -3.12 0.00 0.00 179.24 177.30 2k0f h THR 75 N 0.25 0.00 -0.27 0.35 1.35 -1.99 -2.63 112.91 109.97 2k0f h THR 75 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 2k0f h THR 75 Cb 0.62 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 2k0f h THR 75 CO 0.04 0.00 0.16 0.44 -0.25 0.00 0.00 175.52 175.91 2k0f h ASP 76 N -0.55 0.26 -0.34 5.36 3.32 -1.69 -0.24 116.42 122.54 2k0f h ASP 76 Ca 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2k0f h ASP 76 Cb 0.59 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2k0f h ASP 76 CO -0.31 0.19 -0.01 0.28 -1.72 0.00 0.00 179.24 177.67 2k0f h SER 77 N 0.33 0.68 0.34 6.45 0.02 -1.53 -2.14 113.55 117.70 2k0f h SER 77 Ca 0.11 -0.16 -0.33 0.00 -0.84 0.00 0.00 61.79 60.57 2k0f h SER 77 Cb -0.00 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k0f h SER 77 CO -0.05 0.75 -1.56 -0.08 -1.14 0.00 0.00 176.83 174.75 2k0f h GLU 78 N 0.67 0.37 0.00 3.45 4.81 -1.10 -3.08 114.58 119.70 2k0f h GLU 78 Ca 0.13 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2k0f h GLU 78 Cb 0.42 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 78 CO 0.02 1.27 0.00 1.49 -0.73 0.00 0.00 179.01 181.06 2k0f h GLU 79 N 0.10 0.00 -0.01 1.92 4.81 -0.98 -1.01 114.58 119.40 2k0f h GLU 79 Ca -0.27 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 2k0f h GLU 79 Cb 2.08 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.47 2k0f h GLU 79 CO 0.20 0.00 -0.57 1.49 -0.73 0.00 0.00 179.01 179.40 2k0f h GLU 80 N 0.00 0.41 -0.28 1.92 4.81 -1.30 -1.69 114.58 118.46 2k0f h GLU 80 Ca 0.00 -0.42 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 80 Cb 0.10 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 80 CO 0.00 1.09 0.06 0.82 -0.73 0.00 0.00 179.01 180.24 2k0f h ILE 81 N -0.10 0.87 -0.70 2.32 2.04 -1.48 -2.07 117.51 118.39 2k0f h ILE 81 Ca -0.07 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2k0f h ILE 81 Cb 1.28 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2k0f h ILE 81 CO 0.11 0.03 0.46 -0.09 0.00 0.00 0.00 178.15 178.67 2k0f h ARG 82 N 0.16 0.51 0.20 2.37 2.43 -1.18 -0.28 114.38 118.59 2k0f h ARG 82 Ca 0.13 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.97 2k0f h ARG 82 Cb 0.13 -0.11 0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2k0f h ARG 82 CO -0.17 0.34 -1.27 1.49 -1.51 0.00 0.00 179.97 178.85 2k0f h GLU 83 N 0.52 0.51 -0.26 0.20 4.57 -1.11 -3.34 114.58 115.67 2k0f h GLU 83 Ca 0.33 -0.81 -0.10 0.00 -1.18 0.00 0.00 59.36 57.60 2k0f h GLU 83 Cb 0.57 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2k0f h GLU 83 CO -0.11 1.38 -0.25 0.00 -1.18 0.00 0.00 179.01 178.86 2k0f h ALA 84 N 0.16 1.09 -0.61 2.92 0.00 -0.61 -2.72 119.26 119.49 2k0f h ALA 84 Ca -0.22 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.40 2k0f h ALA 84 Cb 1.99 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 2k0f h ALA 84 CO 0.24 0.56 -0.36 0.34 0.00 0.00 0.00 179.25 180.03 2k0f n PHE 85 N -4.12 -0.27 1.50 0.00 -0.00 -0.20 -2.63 117.46 111.74 2k0f n PHE 85 Ca -0.00 0.76 0.13 0.00 -0.00 0.00 0.00 57.45 58.33 2k0f n PHE 85 Cb 0.41 -0.53 0.52 0.00 -0.00 0.00 0.00 39.48 39.87 2k0f n PHE 85 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2k0f n ARG 86 N -4.65 1.55 -0.10 -4.13 1.85 -1.03 -2.31 116.66 107.84 2k0f n ARG 86 Ca 0.01 -0.81 -0.14 0.00 -1.00 0.00 0.00 57.85 55.91 2k0f n ARG 86 Cb 0.16 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.10 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2k0f h VAL 87 N 1.82 1.28 -0.05 8.89 2.07 -1.58 -3.34 116.25 125.33 2k0f h VAL 87 Ca 0.00 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 2k0f h VAL 87 Cb 0.39 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k0f h VAL 87 CO 0.00 0.53 -0.02 -0.26 0.02 0.00 0.00 177.57 177.84 2k0f h PHE 88 N 0.67 0.12 -3.32 1.57 -1.00 -1.57 -3.42 116.94 109.98 2k0f h PHE 88 Ca 0.04 -0.03 -0.58 0.00 2.81 0.00 0.00 57.97 60.22 2k0f h PHE 88 Cb 1.01 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.48 2k0f h PHE 88 CO 0.07 0.46 0.78 0.34 -1.61 0.00 0.00 178.31 178.35 2k0f s ASP 89 N -5.71 6.90 -0.13 2.17 2.15 -0.98 -4.33 116.67 116.74 2k0f s ASP 89 Ca -0.15 1.00 -0.22 0.00 0.43 0.00 0.00 52.55 53.61 2k0f s ASP 89 Cb 0.03 -2.52 -0.26 0.00 -0.30 0.00 0.00 42.92 39.88 2k0f s ASP 89 CO 0.69 -0.84 0.59 0.50 -0.17 0.00 0.00 175.17 175.95 2k0f h LYS 90 N 8.08 0.12 -0.05 4.34 1.63 -1.81 -3.38 116.57 125.51 2k0f h LYS 90 Ca -0.21 -0.21 -0.25 0.00 -0.85 0.00 0.00 60.65 59.13 2k0f h LYS 90 Cb 1.07 0.08 0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2k0f h LYS 90 CO 1.01 1.10 -0.94 0.38 -3.45 0.00 0.00 179.45 177.56 2k0f h ASP 91 N -0.68 0.90 0.00 4.20 3.04 -1.92 -3.48 116.42 118.48 2k0f h ASP 91 Ca -0.20 -0.71 0.00 0.00 -3.24 0.00 0.00 57.03 52.89 2k0f h ASP 91 Cb 1.41 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 2k0f h ASP 91 CO -0.01 1.48 0.00 0.61 -2.04 0.00 0.00 179.24 179.29 2k0f n GLY 92 N 0.97 1.39 0.09 7.15 0.00 -1.26 -5.01 105.19 108.51 2k0f n GLY 92 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.72 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.81 0.00 0.61 0.07 0.00 0.00 177.43 178.92 2k0f n GLY 94 N 1.34 1.47 3.27 9.14 0.00 -1.26 -5.08 105.19 114.08 2k0f n GLY 94 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.83 -0.30 1.61 2.02 -1.26 -4.30 117.35 112.30 2k0f s TYR 95 Ca 0.00 1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 58.01 2k0f s TYR 95 Cb 0.00 0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.88 2k0f s TYR 95 CO 0.00 -0.50 0.77 0.42 -1.57 0.00 0.00 175.55 174.67 2k0f s ILE 96 N 2.63 4.82 0.63 2.71 1.01 -0.57 -4.85 121.20 127.57 2k0f s ILE 96 Ca -0.01 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.76 2k0f s ILE 96 Cb -0.12 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.26 2k0f s ILE 96 CO -0.13 -0.22 0.92 -0.94 0.00 0.00 0.00 174.94 174.57 2k0f s SER 97 N 1.60 5.24 0.23 3.58 1.04 -1.26 -1.43 113.70 122.70 2k0f s SER 97 Ca 0.32 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 2k0f s SER 97 Cb -0.14 -1.34 0.31 0.00 0.10 0.00 0.00 66.02 64.95 2k0f s SER 97 CO 0.12 -1.28 1.84 0.00 0.98 0.00 0.00 173.24 174.90 2k0f h ALA 98 N -0.29 1.12 -0.12 5.32 0.00 -1.97 -1.23 119.26 122.08 2k0f h ALA 98 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 98 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k0f h ALA 98 CO 0.59 0.24 0.04 0.00 0.00 0.00 0.00 179.25 180.11 2k0f h ALA 99 N 1.39 0.16 -0.46 0.00 0.00 -1.97 -0.78 119.26 117.61 2k0f h ALA 99 Ca 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 99 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k0f h ALA 99 CO -0.17 -0.22 0.09 0.93 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 100 N 0.01 0.70 -0.69 0.00 5.08 -1.84 0.15 114.58 117.99 2k0f h GLU 100 Ca 0.04 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2k0f h GLU 100 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 100 CO -0.00 0.65 0.44 1.25 -1.00 0.00 0.00 179.01 180.36 2k0f h LEU 101 N 0.68 0.74 -0.03 1.33 5.85 -0.93 -2.99 115.31 119.96 2k0f h LEU 101 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2k0f h LEU 101 Cb 0.29 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2k0f h LEU 101 CO 0.00 0.53 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.53 2k0f h ARG 102 N 0.88 0.05 -0.89 1.25 2.43 -0.58 -3.03 114.38 114.50 2k0f h ARG 102 Ca 0.27 -0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.63 2k0f h ARG 102 Cb -0.03 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.39 2k0f h ARG 102 CO -0.09 0.37 0.40 0.45 -1.51 0.00 0.00 179.97 179.59 2k0f h HIS 103 N -0.27 0.66 -0.01 2.20 3.86 -0.75 -1.65 115.15 119.18 2k0f h HIS 103 Ca 0.01 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.11 2k0f h HIS 103 Cb 0.35 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2k0f h HIS 103 CO 0.04 -0.03 -0.70 -0.24 0.86 0.00 0.00 177.93 177.86 2k0f h VAL 104 N 0.42 1.48 0.00 2.45 3.04 -1.39 -1.16 116.25 121.08 2k0f h VAL 104 Ca 0.55 -2.34 -0.14 0.00 -1.01 0.00 0.00 66.70 63.76 2k0f h VAL 104 Cb 1.03 2.26 -0.02 0.00 -2.01 0.00 0.00 31.29 32.54 2k0f h VAL 104 CO -0.51 0.67 -0.67 0.24 -1.01 0.00 0.00 177.57 176.29 2k0f h MET 105 N 0.05 0.00 -0.14 4.17 2.86 -1.43 -2.64 114.93 117.79 2k0f h MET 105 Ca -0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 105 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 2k0f h MET 105 CO 0.10 0.67 -0.54 1.15 1.06 0.00 0.00 176.91 179.35 2k0f h THR 106 N 0.00 1.34 -0.88 2.22 2.02 -0.95 -0.13 112.91 116.53 2k0f h THR 106 Ca -0.01 -1.81 0.17 0.00 0.77 0.00 0.00 66.41 65.53 2k0f h THR 106 Cb 1.43 1.82 -0.10 0.00 -1.74 0.00 0.00 68.15 69.56 2k0f h THR 106 CO 0.09 0.55 0.45 0.78 0.37 0.00 0.00 175.52 177.76 2k0f h ASN 107 N 0.33 0.51 1.51 4.18 2.35 -0.96 -2.89 115.58 120.61 2k0f h ASN 107 Ca 0.01 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2k0f h ASN 107 Cb 1.06 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2k0f h ASN 107 CO 0.09 0.18 -0.29 -0.07 -1.65 0.00 0.00 177.43 175.69 2k0f h LEU 108 N 0.59 0.00 -0.52 1.61 3.38 -1.21 -3.44 115.31 115.72 2k0f h LEU 108 Ca 0.50 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2k0f h LEU 108 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2k0f h LEU 108 CO -0.40 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.75 2k0f n GLY 109 N 1.20 0.98 3.87 0.83 0.00 -0.53 -5.04 105.19 106.50 2k0f n GLY 109 Ca 0.03 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N -3.07 3.66 -0.80 1.61 2.56 -0.17 -5.01 118.70 117.49 2k0f s GLU 110 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 54.97 54.91 2k0f s GLU 110 Cb 0.00 -3.13 0.21 0.00 2.00 0.00 0.00 34.13 33.21 2k0f s GLU 110 CO 0.00 0.68 0.74 0.21 -0.56 0.00 0.00 175.26 176.33 2k0f s LYS 111 N -1.41 3.53 -0.09 4.30 2.20 -1.26 -4.29 119.74 122.72 2k0f s LYS 111 Ca 0.24 -2.42 -0.19 0.00 -0.36 0.00 0.00 55.97 53.24 2k0f s LYS 111 Cb -0.14 -4.39 -0.04 0.00 -1.51 0.00 0.00 37.83 31.74 2k0f s LYS 111 CO 0.13 -1.29 0.54 -0.51 -0.36 0.00 0.00 175.35 173.86 2k0f s LEU 112 N 0.25 4.31 0.83 5.43 1.43 -1.26 -5.09 118.68 124.59 2k0f s LEU 112 Ca 0.17 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 2k0f s LEU 112 Cb -0.12 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.41 2k0f s LEU 112 CO -0.08 0.00 1.19 0.42 0.23 0.00 0.00 176.35 178.11 2k0f s THR 113 N 0.47 2.04 0.28 5.49 -4.23 -1.26 -4.92 115.64 113.52 2k0f s THR 113 Ca 0.29 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2k0f s THR 113 Cb -0.16 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 70.83 2k0f s THR 113 CO 0.13 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.45 2k0f h ASP 114 N -1.14 0.72 -0.56 3.99 3.32 -1.99 -2.26 116.42 118.50 2k0f h ASP 114 Ca -0.45 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.53 2k0f h ASP 114 Cb 1.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2k0f h ASP 114 CO 0.57 0.77 0.38 -0.33 -1.72 0.00 0.00 179.24 178.90 2k0f h GLU 115 N 0.72 0.38 0.10 3.56 3.07 -1.97 -1.34 114.58 119.10 2k0f h GLU 115 Ca 0.15 -0.02 -0.26 0.00 -0.50 0.00 0.00 59.36 58.73 2k0f h GLU 115 Cb 0.38 -0.09 0.03 0.00 -0.84 0.00 0.00 28.75 28.23 2k0f h GLU 115 CO 0.01 0.25 -1.07 0.93 -1.40 0.00 0.00 179.01 177.74 2k0f h GLU 116 N 0.39 0.54 -0.41 2.33 5.08 -1.78 0.17 114.58 120.89 2k0f h GLU 116 Ca 0.26 -0.72 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2k0f h GLU 116 Cb 0.49 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2k0f h GLU 116 CO -0.07 1.31 0.18 0.28 -1.00 0.00 0.00 179.01 179.72 2k0f h VAL 117 N 0.11 0.93 0.05 3.13 2.07 -1.50 0.99 116.25 122.04 2k0f h VAL 117 Ca -0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2k0f h VAL 117 Cb 1.77 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 117 CO 0.21 0.07 -0.03 -0.78 0.02 0.00 0.00 177.57 177.06 2k0f h ASP 118 N 0.37 -0.06 -0.71 0.57 3.58 -1.19 -1.15 116.42 117.84 2k0f h ASP 118 Ca 0.18 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.67 2k0f h ASP 118 Cb 0.13 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2k0f h ASP 118 CO -0.16 -0.04 0.43 -0.08 -2.88 0.00 0.00 179.24 176.52 2k0f h GLU 119 N -0.08 0.79 0.16 0.28 4.81 -0.41 0.22 114.58 120.34 2k0f h GLU 119 Ca -0.01 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 119 Cb 0.06 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2k0f h GLU 119 CO 0.01 0.52 -0.43 0.52 -0.73 0.00 0.00 179.01 178.90 2k0f h MET 120 N 0.81 -0.66 -0.36 1.92 2.86 -0.55 -1.84 114.93 117.10 2k0f h MET 120 Ca 0.30 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 2k0f h MET 120 Cb 0.10 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2k0f h MET 120 CO -0.14 -0.44 0.15 0.82 1.06 0.00 0.00 176.91 178.35 2k0f h ILE 121 N -0.69 1.19 0.00 -1.22 1.08 -1.11 -2.88 117.51 113.88 2k0f h ILE 121 Ca 0.01 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 2k0f h ILE 121 Cb 0.70 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2k0f h ILE 121 CO -0.23 0.20 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.29 2k0f h ARG 122 N 0.43 0.00 0.01 2.37 2.43 -0.52 0.57 114.38 119.68 2k0f h ARG 122 Ca 0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2k0f h ARG 122 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2k0f h ARG 122 CO -0.01 0.05 -0.01 1.49 -1.51 0.00 0.00 179.97 179.99 2k0f h GLU 123 N 0.00 -0.02 -0.37 0.20 4.81 -1.37 -3.37 114.58 114.47 2k0f h GLU 123 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 123 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2k0f h GLU 123 CO 0.01 0.78 0.15 0.00 -0.73 0.00 0.00 179.01 179.22 2k0f h ALA 124 N -0.03 0.48 -2.37 2.92 0.00 -1.36 -3.44 119.26 115.46 2k0f h ALA 124 Ca -0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.23 2k0f h ALA 124 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k0f h ALA 124 CO 0.00 0.08 0.94 0.34 0.00 0.00 0.00 179.25 180.61 2k0f s ASP 125 N -5.81 6.74 -0.22 0.00 2.15 0.18 -4.86 116.67 114.85 2k0f s ASP 125 Ca -0.13 2.23 -0.15 0.00 0.43 0.00 0.00 52.55 54.93 2k0f s ASP 125 Cb 0.10 -2.56 -0.18 0.00 -0.30 0.00 0.00 42.92 39.98 2k0f s ASP 125 CO 0.75 -0.81 0.05 0.00 -0.17 0.00 0.00 175.17 174.98 2k0f n ILE 126 N 4.87 1.57 0.18 4.11 0.13 -1.26 -4.75 119.36 124.20 2k0f n ILE 126 Ca 0.15 -0.27 -0.12 0.00 -1.10 0.00 0.00 62.75 61.41 2k0f n ILE 126 Cb 0.43 -1.90 -0.07 0.00 -0.84 0.00 0.00 39.64 37.26 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N -0.75 -0.98 0.00 9.51 3.04 -1.95 -3.48 116.42 121.81 2k0f h ASP 127 Ca -0.48 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 2k0f h ASP 127 Cb 1.55 0.33 0.00 0.00 -1.04 0.00 0.00 39.33 40.17 2k0f h ASP 127 CO -0.21 -0.44 0.00 0.61 -2.04 0.00 0.00 179.24 177.15 2k0f n GLY 128 N -1.37 0.32 0.16 7.15 0.00 -1.26 -5.04 105.19 105.14 2k0f n GLY 128 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.96 -3.47 116.42 115.64 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2k0f n GLY 130 N 1.19 0.55 3.29 7.15 0.00 -1.26 -5.05 105.19 111.06 2k0f n GLY 130 Ca 0.02 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.06 1.14 -0.27 1.61 -0.21 -1.26 -4.42 119.66 114.19 2k0f s GLN 131 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 55.36 54.12 2k0f s GLN 131 Cb 0.00 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 2k0f s GLN 131 CO 0.00 0.31 0.05 0.08 -2.12 0.00 0.00 175.29 173.62 2k0f s VAL 132 N -1.31 3.91 0.60 1.09 1.01 -0.51 -4.87 120.40 120.32 2k0f s VAL 132 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2k0f s VAL 132 Cb -0.09 -2.94 0.11 0.00 0.00 0.00 0.00 36.38 33.46 2k0f s VAL 132 CO 0.05 0.20 0.83 -0.46 0.00 0.00 0.00 175.10 175.71 2k0f n ASN 133 N 4.86 1.38 -0.22 3.32 0.23 -1.26 -1.52 115.26 122.05 2k0f n ASN 133 Ca -0.16 -2.10 -0.06 0.00 -0.53 0.00 0.00 54.58 51.73 2k0f n ASN 133 Cb 0.49 -0.51 -0.05 0.00 -2.08 0.00 0.00 39.78 37.63 2k0f n ASN 133 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2k0f n TYR 134 N -2.52 -0.23 -0.23 -2.53 4.01 -1.26 -0.67 117.16 113.73 2k0f n TYR 134 Ca 0.14 0.66 -0.06 0.00 -0.16 0.00 0.00 57.90 58.48 2k0f n TYR 134 Cb 0.52 -0.52 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2k0f n TYR 134 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2k0f h GLU 135 N 0.00 0.92 0.00 -0.72 4.39 -1.97 -0.73 114.58 116.47 2k0f h GLU 135 Ca 0.08 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2k0f h GLU 135 Cb 0.22 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 135 CO -0.50 0.72 -0.10 0.93 -1.16 0.00 0.00 179.01 178.90 2k0f h GLU 136 N 0.89 0.00 0.11 2.33 5.08 -1.77 -0.92 114.58 120.30 2k0f h GLU 136 Ca 0.23 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 136 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 136 CO -0.03 0.10 -1.28 0.35 -1.00 0.00 0.00 179.01 177.14 2k0f h PHE 137 N 0.00 0.41 0.00 4.33 3.57 -0.43 -3.35 116.94 121.47 2k0f h PHE 137 Ca -0.00 -0.30 -0.08 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 137 Cb 0.89 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2k0f h PHE 137 CO 0.00 1.50 -0.39 -0.24 -2.23 0.00 0.00 178.31 176.95 2k0f h VAL 138 N -0.38 1.02 -0.38 1.41 3.04 -1.04 -1.22 116.25 118.70 2k0f h VAL 138 Ca -0.28 -1.48 -0.01 0.00 -1.01 0.00 0.00 66.70 63.93 2k0f h VAL 138 Cb 1.69 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 32.81 2k0f h VAL 138 CO 0.05 0.38 0.22 -0.61 -1.01 0.00 0.00 177.57 176.60 2k0f h GLN 139 N 0.00 0.53 0.00 4.17 5.75 -1.31 -3.06 115.11 121.19 2k0f h GLN 139 Ca -0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2k0f h GLN 139 Cb 0.83 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.27 2k0f h GLN 139 CO 0.05 0.42 -1.01 0.00 -2.65 0.00 0.00 178.83 175.65 2k0f n MET 140 N -4.76 0.89 -0.06 1.69 0.00 -1.12 -3.85 117.12 109.91 2k0f n MET 140 Ca -0.00 -0.02 0.06 0.00 0.00 0.00 0.00 57.70 57.73 2k0f n MET 140 Cb 0.07 -1.38 0.24 0.00 0.00 0.00 0.00 33.22 32.15 2k0f n MET 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2k0f n MET 141 N -1.53 1.36 0.00 3.17 2.81 -0.48 -5.12 117.12 117.33 2k0f n MET 141 Ca 0.02 -0.55 0.13 0.00 -1.81 0.00 0.00 57.70 55.49 2k0f n MET 141 Cb 0.31 -1.21 0.37 0.00 -0.71 0.00 0.00 33.22 31.98 2k0f n MET 141 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89