#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.21 -0.04 -2.82 3.07 -2.06 -1.99 114.58 110.94 2k0f h GLU 2 Ca 0.00 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.65 2k0f h GLU 2 Cb 0.00 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2k0f h GLU 2 CO 0.00 0.14 -0.81 0.93 -1.40 0.00 0.00 179.01 177.86 2k0f h GLU 3 N 0.21 0.36 -0.03 2.33 5.08 -2.04 -2.75 114.58 117.73 2k0f h GLU 3 Ca 0.36 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 3 Cb 0.58 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 3 CO -0.49 1.00 -0.53 1.96 -1.00 0.00 0.00 179.01 179.95 2k0f h GLN 4 N 0.23 0.09 0.23 2.33 7.50 -1.79 0.11 115.11 123.80 2k0f h GLN 4 Ca -0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 2k0f h GLN 4 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.95 2k0f h GLN 4 CO 0.14 0.60 -0.11 0.82 -1.50 0.00 0.00 178.83 178.77 2k0f h ILE 5 N 0.07 0.48 -1.00 2.54 2.04 -1.36 -3.19 117.51 117.08 2k0f h ILE 5 Ca -0.00 -0.96 0.22 0.00 1.00 0.00 0.00 64.86 65.12 2k0f h ILE 5 Cb 0.96 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 2k0f h ILE 5 CO 0.07 0.13 0.62 0.00 0.00 0.00 0.00 178.15 178.97 2k0f h ALA 6 N -0.67 1.89 -0.42 1.87 0.00 -1.46 -1.81 119.26 118.64 2k0f h ALA 6 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k0f h ALA 6 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k0f h ALA 6 CO 0.05 -0.27 0.20 1.49 0.00 0.00 0.00 179.25 180.72 2k0f h GLU 7 N 0.61 0.59 -0.06 0.00 4.81 -0.80 0.29 114.58 120.01 2k0f h GLU 7 Ca 0.58 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.50 2k0f h GLU 7 Cb 1.12 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.40 2k0f h GLU 7 CO -0.35 0.46 -0.93 0.74 -0.73 0.00 0.00 179.01 178.20 2k0f h PHE 8 N 0.59 1.01 -0.25 0.92 0.04 -1.47 -3.32 116.94 114.47 2k0f h PHE 8 Ca 0.15 -0.51 -0.10 0.00 2.80 0.00 0.00 57.97 60.31 2k0f h PHE 8 Cb 0.07 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 2k0f h PHE 8 CO 0.00 1.34 -0.24 -0.22 -0.60 0.00 0.00 178.31 178.60 2k0f h LYS 9 N 0.44 0.60 -0.57 1.51 3.64 -0.29 -0.83 116.57 121.06 2k0f h LYS 9 Ca -0.09 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 2k0f h LYS 9 Cb 1.57 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 2k0f h LYS 9 CO 0.18 0.91 0.07 0.93 -2.27 0.00 0.00 179.45 179.27 2k0f h GLU 10 N 0.31 0.93 -0.83 1.90 4.39 -0.67 -0.78 114.58 119.83 2k0f h GLU 10 Ca 0.04 -0.24 0.05 0.00 0.34 0.00 0.00 59.36 59.56 2k0f h GLU 10 Cb 0.79 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 2k0f h GLU 10 CO 0.06 0.87 0.54 0.00 -1.16 0.00 0.00 179.01 179.33 2k0f h ALA 11 N 1.20 1.55 0.00 3.43 0.00 -1.63 0.12 119.26 123.92 2k0f h ALA 11 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 11 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k0f h ALA 11 CO 0.01 0.35 -0.71 0.35 0.00 0.00 0.00 179.25 179.25 2k0f h PHE 12 N 0.97 0.00 0.00 0.00 3.57 -0.78 -3.04 116.94 117.66 2k0f h PHE 12 Ca 0.35 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 2k0f h PHE 12 Cb 0.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2k0f h PHE 12 CO -0.00 0.71 -0.20 1.03 -2.23 0.00 0.00 178.31 177.62 2k0f h SER 13 N 0.00 0.00 -0.10 0.41 0.87 -0.72 -2.40 113.55 111.61 2k0f h SER 13 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k0f h SER 13 Cb 1.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2k0f h SER 13 CO 0.09 0.20 0.00 0.25 -0.53 0.00 0.00 176.83 176.84 2k0f h LEU 14 N 0.00 0.17 0.28 2.23 5.85 -0.67 -3.32 115.31 119.85 2k0f h LEU 14 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2k0f h LEU 14 Cb 0.98 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2k0f h LEU 14 CO 0.03 0.43 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.16 2k0f h PHE 15 N -0.09 -0.35 -2.84 1.25 0.04 -1.49 -3.45 116.94 110.02 2k0f h PHE 15 Ca 0.03 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.26 2k0f h PHE 15 Cb 0.34 0.12 0.03 0.00 2.20 0.00 0.00 35.95 38.64 2k0f h PHE 15 CO 0.03 -0.00 0.87 0.34 -0.60 0.00 0.00 178.31 178.95 2k0f s ASP 16 N -5.15 6.64 -0.03 2.17 -1.08 -0.91 -4.72 116.67 113.59 2k0f s ASP 16 Ca -0.14 2.53 0.12 0.00 -0.52 0.00 0.00 52.55 54.54 2k0f s ASP 16 Cb 0.02 -2.59 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 2k0f s ASP 16 CO 0.53 -0.80 1.30 0.29 0.52 0.00 0.00 175.17 177.01 2k0f n LYS 17 N 4.25 2.90 -0.03 4.34 4.76 -1.26 -4.40 118.16 128.72 2k0f n LYS 17 Ca 0.14 -2.22 -0.08 0.00 -2.87 0.00 0.00 58.31 53.28 2k0f n LYS 17 Cb 0.40 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k0f n ASP 18 N 0.41 1.24 0.00 4.39 8.00 -1.26 -5.03 116.55 124.30 2k0f n ASP 18 Ca 0.14 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2k0f n ASP 18 Cb 0.52 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 2.46 1.90 0.08 0.44 0.00 -1.26 -5.06 105.19 103.75 2k0f n GLY 19 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 1.61 2.03 -1.96 -3.49 116.42 114.61 2k0f h ASP 20 Ca 0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 1.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.85 2k0f n GLY 21 N 1.55 0.03 2.93 7.15 0.00 -1.26 -5.13 105.19 110.47 2k0f n GLY 21 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 1.48 -0.26 2.61 -4.23 -1.26 -4.08 115.64 109.90 2k0f s THR 22 Ca 0.00 -1.16 -0.16 0.00 -1.18 0.00 0.00 61.69 59.19 2k0f s THR 22 Cb 0.00 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2k0f s THR 22 CO 0.00 -0.08 0.43 -0.63 -0.54 0.00 0.00 174.62 173.80 2k0f s ILE 23 N 1.42 5.14 0.64 2.99 1.01 -1.16 -4.90 121.20 126.33 2k0f s ILE 23 Ca -0.05 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.36 2k0f s ILE 23 Cb -0.18 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.65 2k0f s ILE 23 CO -0.06 0.13 0.88 0.35 0.00 0.00 0.00 174.94 176.24 2k0f n THR 24 N 5.10 0.00 0.11 2.92 -2.24 -1.26 -1.52 114.28 117.40 2k0f n THR 24 Ca -0.07 -1.90 -0.04 0.00 -2.27 0.00 0.00 64.05 59.78 2k0f n THR 24 Cb 0.50 -0.60 0.10 0.00 -2.10 0.00 0.00 70.33 68.23 2k0f n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2k0f h THR 25 N -0.08 1.48 -0.48 4.28 1.35 -1.97 -2.51 112.91 114.98 2k0f h THR 25 Ca -0.29 -2.34 -0.02 0.00 -0.55 0.00 0.00 66.41 63.21 2k0f h THR 25 Cb 1.28 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.93 2k0f h THR 25 CO 0.39 0.67 0.23 0.50 -0.25 0.00 0.00 175.52 177.07 2k0f h LYS 26 N 0.04 0.68 0.00 4.72 3.64 -1.99 -0.63 116.57 123.03 2k0f h LYS 26 Ca -0.01 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.08 2k0f h LYS 26 Cb 1.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2k0f h LYS 26 CO 0.10 0.57 -0.94 0.93 -2.27 0.00 0.00 179.45 177.84 2k0f h GLU 27 N 0.62 0.00 0.41 1.90 5.08 -1.86 -3.07 114.58 117.67 2k0f h GLU 27 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2k0f h GLU 27 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 27 CO -0.02 0.85 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.57 2k0f h LEU 28 N 0.00 -0.47 -1.46 1.33 3.38 -1.49 -3.33 115.31 113.28 2k0f h LEU 28 Ca -0.03 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2k0f h LEU 28 Cb 1.70 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.53 2k0f h LEU 28 CO 0.11 -0.32 0.45 1.23 0.09 0.00 0.00 178.44 180.00 2k0f h GLY 29 N -0.57 0.84 0.98 0.83 0.00 -1.01 -0.46 103.07 103.68 2k0f h GLY 29 Ca -0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2k0f h GLY 29 CO 0.09 0.17 -0.44 0.00 0.00 0.00 0.00 176.54 176.37 2k0f h THR 30 N 0.64 1.32 0.25 4.70 1.03 -1.74 -2.13 112.91 116.98 2k0f h THR 30 Ca 0.31 -1.67 -0.01 0.00 -0.01 0.00 0.00 66.41 65.03 2k0f h THR 30 Cb 0.37 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 2k0f h THR 30 CO -0.10 0.52 -0.12 0.58 -0.01 0.00 0.00 175.52 176.39 2k0f h VAL 31 N 0.36 0.75 -0.71 0.00 2.07 -1.57 -2.29 116.25 114.86 2k0f h VAL 31 Ca 0.00 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.85 2k0f h VAL 31 Cb 1.05 1.14 -0.12 0.00 -1.52 0.00 0.00 31.29 31.84 2k0f h VAL 31 CO 0.10 0.15 -0.45 0.24 0.02 0.00 0.00 177.57 177.63 2k0f h MET 32 N -0.78 -0.15 -0.41 1.57 2.86 -1.18 -1.93 114.93 114.90 2k0f h MET 32 Ca -0.03 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 32 Cb 0.51 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2k0f h MET 32 CO 0.06 -0.10 -0.06 -0.09 1.06 0.00 0.00 176.91 177.77 2k0f h ARG 33 N -0.16 0.69 -0.29 1.72 2.43 -1.40 -0.45 114.38 116.92 2k0f h ARG 33 Ca 0.20 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2k0f h ARG 33 Cb 0.55 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2k0f h ARG 33 CO -0.78 0.75 -0.11 0.77 -1.51 0.00 0.00 179.97 179.09 2k0f h SER 34 N 0.64 0.47 0.25 -3.80 0.02 -1.25 -3.25 113.55 106.63 2k0f h SER 34 Ca 0.12 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k0f h SER 34 Cb 0.49 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k0f h SER 34 CO 0.03 0.62 -0.12 0.25 -1.14 0.00 0.00 176.83 176.47 2k0f h LEU 35 N 0.46 -0.28 0.00 5.07 5.85 -0.74 -3.42 115.31 122.25 2k0f h LEU 35 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2k0f h LEU 35 Cb 0.47 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2k0f h LEU 35 CO 0.03 0.10 0.00 0.61 -0.34 0.00 0.00 178.44 178.84 2k0f n GLY 36 N 0.84 -0.76 3.29 3.75 0.00 -0.23 -4.89 105.19 107.18 2k0f n GLY 36 Ca -0.04 0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 0.45 -0.63 1.61 2.00 -0.97 -4.98 119.66 117.14 2k0f s GLN 37 Ca 0.00 0.92 -0.25 0.00 -2.00 0.00 0.00 55.36 54.03 2k0f s GLN 37 Cb 0.00 0.53 0.04 0.00 0.80 0.00 0.00 33.01 34.39 2k0f s GLN 37 CO 0.00 -0.37 1.07 1.21 -0.50 0.00 0.00 175.29 176.70 2k0f s ASN 38 N 2.83 6.27 0.33 6.67 3.84 -1.26 -3.41 114.94 130.21 2k0f s ASN 38 Ca 0.07 -0.47 -0.27 0.00 0.21 0.00 0.00 52.86 52.41 2k0f s ASN 38 Cb -0.12 -2.48 -0.09 0.00 -0.55 0.00 0.00 41.25 38.01 2k0f s ASN 38 CO -0.18 -1.47 1.03 -2.16 -2.79 0.00 0.00 177.10 171.53 2k0f s PRO 39 N 4.57 4.46 0.22 0.43 0.04 -1.26 -5.05 135.00 138.41 2k0f s PRO 39 Ca 0.31 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.86 2k0f s PRO 39 Cb -0.12 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 2k0f s PRO 39 CO 0.17 0.12 0.46 0.99 0.04 0.00 0.00 177.00 178.78 2k0f s THR 40 N -1.45 5.09 0.22 1.26 2.01 -1.26 -5.04 115.64 116.47 2k0f s THR 40 Ca 0.51 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.47 2k0f s THR 40 Cb -0.25 -3.68 0.10 0.00 0.01 0.00 0.00 72.50 68.68 2k0f s THR 40 CO 0.31 -0.14 1.71 -0.08 -0.69 0.00 0.00 174.62 175.73 2k0f h GLU 41 N 2.24 0.99 -0.86 4.92 4.81 -1.99 -3.04 114.58 121.65 2k0f h GLU 41 Ca -0.47 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2k0f h GLU 41 Cb 1.18 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2k0f h GLU 41 CO 0.69 0.95 0.56 0.00 -0.73 0.00 0.00 179.01 180.48 2k0f h ALA 42 N 1.12 1.09 -0.15 2.92 0.00 -1.98 0.22 119.26 122.48 2k0f h ALA 42 Ca 0.18 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2k0f h ALA 42 Cb 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k0f h ALA 42 CO 0.02 0.51 -0.70 0.93 0.00 0.00 0.00 179.25 180.01 2k0f h GLU 43 N 1.17 0.65 -0.09 0.00 5.08 -1.99 -1.66 114.58 117.75 2k0f h GLU 43 Ca 0.31 -0.50 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 2k0f h GLU 43 Cb -0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 43 CO -0.07 1.12 -0.64 1.25 -1.00 0.00 0.00 179.01 179.68 2k0f h LEU 44 N 0.46 0.39 -0.80 1.33 5.85 -1.28 0.42 115.31 121.69 2k0f h LEU 44 Ca -0.03 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 2k0f h LEU 44 Cb 1.30 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2k0f h LEU 44 CO 0.14 0.92 -0.21 -0.61 -0.34 0.00 0.00 178.44 178.34 2k0f h GLN 45 N 0.25 0.67 -0.35 1.25 5.75 -1.01 0.25 115.11 121.91 2k0f h GLN 45 Ca -0.01 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.21 2k0f h GLN 45 Cb 1.17 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 2k0f h GLN 45 CO 0.11 0.83 0.12 0.22 -2.65 0.00 0.00 178.83 177.46 2k0f h ASP 46 N 0.59 0.50 -0.44 -0.69 3.58 -0.84 -0.57 116.42 118.55 2k0f h ASP 46 Ca 0.09 -0.19 0.09 0.00 0.42 0.00 0.00 57.03 57.43 2k0f h ASP 46 Cb 0.68 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 41.52 2k0f h ASP 46 CO 0.05 0.56 -0.11 0.24 -2.88 0.00 0.00 179.24 177.10 2k0f h MET 47 N 0.42 -0.00 -0.59 0.28 2.86 -0.74 0.60 114.93 117.74 2k0f h MET 47 Ca 0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2k0f h MET 47 Cb 0.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2k0f h MET 47 CO -0.01 -0.00 0.34 0.82 1.06 0.00 0.00 176.91 179.12 2k0f h ILE 48 N -0.00 1.19 0.00 -1.22 1.08 -0.64 -2.16 117.51 115.76 2k0f h ILE 48 Ca 0.21 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.17 2k0f h ILE 48 Cb 0.33 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2k0f h ILE 48 CO -0.45 0.20 -0.28 -1.13 -0.69 0.00 0.00 178.15 175.79 2k0f h ASN 49 N 0.80 0.00 -0.41 1.72 -1.24 -0.84 0.17 115.58 115.78 2k0f h ASN 49 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 2k0f h ASN 49 Cb 0.02 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2k0f h ASN 49 CO -0.04 0.28 0.26 -0.33 -1.29 0.00 0.00 177.43 176.32 2k0f h GLU 50 N 0.00 0.55 0.00 6.67 5.08 -0.64 -3.36 114.58 122.88 2k0f h GLU 50 Ca -0.00 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 50 Cb 1.11 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2k0f h GLU 50 CO 0.04 0.39 -1.16 -0.39 -1.00 0.00 0.00 179.01 176.89 2k0f h VAL 51 N 0.55 0.98 -3.04 3.13 -1.51 -1.02 -3.45 116.25 111.89 2k0f h VAL 51 Ca 0.15 -2.58 -0.54 0.00 -1.23 0.00 0.00 66.70 62.50 2k0f h VAL 51 Cb -0.02 2.42 0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2k0f h VAL 51 CO -0.03 0.56 0.70 -0.62 -1.23 0.00 0.00 177.57 176.95 2k0f s ASP 52 N -6.25 6.92 0.04 4.19 2.15 0.58 -4.94 116.67 119.36 2k0f s ASP 52 Ca -0.01 2.16 -0.14 0.00 0.43 0.00 0.00 52.55 54.99 2k0f s ASP 52 Cb 0.09 -2.58 -0.34 0.00 -0.30 0.00 0.00 42.92 39.79 2k0f s ASP 52 CO 0.80 -0.61 1.04 0.00 -0.17 0.00 0.00 175.17 176.23 2k0f h ALA 53 N 7.10 -0.10 -0.02 3.66 0.00 -1.90 -3.43 119.26 124.58 2k0f h ALA 53 Ca -0.41 -0.86 -0.07 0.00 0.00 0.00 0.00 54.91 53.58 2k0f h ALA 53 Cb 1.20 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k0f h ALA 53 CO 0.86 0.74 -0.26 -0.44 0.00 0.00 0.00 179.25 180.16 2k0f h ASP 54 N 0.15 0.25 0.00 0.00 3.32 -1.95 -3.48 116.42 114.70 2k0f h ASP 54 Ca -0.23 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.09 2k0f h ASP 54 Cb 2.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.59 2k0f h ASP 54 CO 0.26 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.34 2k0f n GLY 55 N 0.93 1.36 0.11 2.75 0.00 -1.26 -5.02 105.19 104.06 2k0f n GLY 55 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.00 0.98 -2.60 1.61 0.23 -1.26 -5.04 115.26 109.18 2k0f n ASN 56 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 53.89 2k0f n ASN 56 Cb 0.00 0.23 0.05 0.00 -2.08 0.00 0.00 39.78 37.99 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 1.94 -0.07 3.12 4.83 0.00 -1.26 -5.06 105.19 108.69 2k0f n GLY 57 Ca -0.36 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.21 1.78 -0.35 2.61 -4.23 -1.26 -4.75 115.64 106.23 2k0f s THR 58 Ca 0.40 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 59.84 2k0f s THR 58 Cb -0.18 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.08 2k0f s THR 58 CO 0.49 0.50 0.88 -0.51 -0.54 0.00 0.00 174.62 175.44 2k0f s ILE 59 N 0.82 4.65 0.68 2.99 2.07 -0.57 -4.81 121.20 127.03 2k0f s ILE 59 Ca -0.09 1.18 -0.11 0.00 -1.41 0.00 0.00 60.65 60.22 2k0f s ILE 59 Cb -0.16 -4.28 -0.00 0.00 0.13 0.00 0.00 42.46 38.15 2k0f s ILE 59 CO -0.00 -0.45 1.05 -1.81 -1.91 0.00 0.00 174.94 171.82 2k0f s ASP 60 N 1.80 5.55 0.21 4.50 1.01 -1.26 -3.00 116.67 125.48 2k0f s ASP 60 Ca 0.36 1.59 -0.09 0.00 0.71 0.00 0.00 52.55 55.12 2k0f s ASP 60 Cb -0.13 -2.49 0.25 0.00 1.01 0.00 0.00 42.92 41.56 2k0f s ASP 60 CO 0.17 -1.33 1.82 0.15 0.21 0.00 0.00 175.17 176.18 2k0f h PHE 61 N -0.61 0.72 0.00 4.23 3.57 -1.96 0.10 116.94 123.01 2k0f h PHE 61 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2k0f h PHE 61 CO 0.63 0.35 0.00 -2.30 -2.23 0.00 0.00 178.31 174.76 2k0f n PRO 62 N -4.76 0.27 -0.05 6.41 -0.02 -1.26 -2.45 135.00 133.15 2k0f n PRO 62 Ca 0.09 0.12 -0.15 0.00 -2.02 0.00 0.00 63.50 61.53 2k0f n PRO 62 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k0f n GLU 63 N -1.24 0.69 -0.32 -0.52 1.02 0.28 -1.55 120.64 119.00 2k0f n GLU 63 Ca 0.08 0.21 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 2k0f n GLU 63 Cb 0.12 -1.66 0.19 0.00 -0.02 0.00 0.00 31.44 30.06 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.03 0.98 -0.45 -0.32 3.04 -1.43 0.62 116.94 119.41 2k0f h PHE 64 Ca -0.44 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.47 2k0f h PHE 64 Cb 2.04 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 40.22 2k0f h PHE 64 CO 0.04 0.42 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.67 2k0f h LEU 65 N 0.90 0.78 -1.19 0.59 3.38 -1.51 -0.80 115.31 117.45 2k0f h LEU 65 Ca 0.43 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2k0f h LEU 65 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k0f h LEU 65 CO -0.24 0.89 0.09 0.74 0.09 0.00 0.00 178.44 180.02 2k0f h THR 66 N 0.63 1.20 0.57 0.22 2.02 -0.86 -1.58 112.91 115.12 2k0f h THR 66 Ca 0.13 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 2k0f h THR 66 Cb 0.50 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2k0f h THR 66 CO 0.02 0.26 -0.28 -0.03 0.37 0.00 0.00 175.52 175.87 2k0f h MET 67 N 0.64 -0.74 0.00 6.66 1.85 -0.91 -3.25 114.93 119.18 2k0f h MET 67 Ca 0.14 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 2k0f h MET 67 Cb 0.26 0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.46 2k0f h MET 67 CO -0.00 -0.43 0.00 -1.33 -0.40 0.00 0.00 176.91 174.75 2k0f n MET 68 N -5.33 0.46 0.16 0.39 2.81 -0.31 -3.77 117.12 111.53 2k0f n MET 68 Ca -0.11 0.02 0.01 0.00 -1.81 0.00 0.00 57.70 55.81 2k0f n MET 68 Cb 0.34 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.64 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 3.38 1.25 -2.72 3.04 0.00 -1.32 -3.42 119.26 119.46 2k0f h ALA 69 Ca 0.00 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 2k0f h ALA 69 Cb 0.23 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 69 CO 0.00 0.56 0.76 0.50 0.00 0.00 0.00 179.25 181.07 2k0f s ARG 70 N -4.04 4.27 0.03 0.00 3.52 -1.25 -5.05 118.95 116.44 2k0f s ARG 70 Ca -0.03 2.29 0.03 0.00 -0.13 0.00 0.00 55.73 57.89 2k0f s ARG 70 Cb 0.14 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 2k0f s ARG 70 CO 0.74 -0.43 -0.10 0.21 -0.81 0.00 0.00 175.30 174.91 2k0f s LYS 71 N -0.19 0.68 0.63 5.12 2.20 -1.26 -5.07 119.74 121.85 2k0f s LYS 71 Ca 0.60 -0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 2k0f s LYS 71 Cb -0.42 -0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2k0f s LYS 71 CO 0.42 0.14 1.01 -1.64 -0.36 0.00 0.00 175.35 174.92 2k0f s MET 72 N -1.08 3.22 0.05 4.03 -1.94 -1.26 -5.09 119.30 117.22 2k0f s MET 72 Ca -0.02 0.48 0.01 0.00 -1.71 0.00 0.00 55.69 54.44 2k0f s MET 72 Cb -0.07 -2.12 -0.00 0.00 2.01 0.00 0.00 34.83 34.65 2k0f s MET 72 CO 0.01 -0.72 0.02 0.36 -0.01 0.00 0.00 175.02 174.67 2k0f n LYS 73 N -2.77 0.73 0.00 2.03 2.85 -1.26 -4.76 118.16 114.98 2k0f n LYS 73 Ca 0.06 -0.40 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 2k0f n LYS 73 Cb 0.56 0.24 0.00 0.00 -0.65 0.00 0.00 35.03 35.18 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k0f n ASP 74 N -2.17 0.00 0.13 -5.58 5.68 -1.26 -0.88 116.55 112.47 2k0f n ASP 74 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2k0f n ASP 74 Cb 0.07 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.19 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k0f h THR 75 N 0.00 1.37 -0.04 2.12 2.02 -2.00 -2.96 112.91 113.43 2k0f h THR 75 Ca 0.00 -2.25 -0.20 0.00 0.77 0.00 0.00 66.41 64.73 2k0f h THR 75 Cb 0.00 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2k0f h THR 75 CO 0.00 0.62 -0.82 0.44 0.37 0.00 0.00 175.52 176.13 2k0f h ASP 76 N 0.00 0.47 -0.36 4.18 3.32 -1.77 -2.38 116.42 119.87 2k0f h ASP 76 Ca -0.01 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 56.78 2k0f h ASP 76 Cb 1.19 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 2k0f h ASP 76 CO 0.08 1.11 -0.16 0.28 -1.72 0.00 0.00 179.24 178.83 2k0f h SER 77 N 0.24 -0.54 -0.48 6.45 0.02 -0.85 -2.76 113.55 115.63 2k0f h SER 77 Ca -0.05 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2k0f h SER 77 Cb 1.43 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 2k0f h SER 77 CO 0.14 -0.19 0.23 -0.08 -1.14 0.00 0.00 176.83 175.79 2k0f h GLU 78 N -0.09 0.44 -0.99 3.45 4.81 -1.34 -2.98 114.58 117.88 2k0f h GLU 78 Ca 0.18 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 78 Cb 0.37 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 78 CO -0.42 0.29 0.62 0.93 -0.73 0.00 0.00 179.01 179.70 2k0f h GLU 79 N 0.46 0.91 0.21 1.92 5.08 -1.35 -1.19 114.58 120.62 2k0f h GLU 79 Ca 0.21 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 79 Cb 0.14 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2k0f h GLU 79 CO -0.16 0.60 -0.51 1.49 -1.00 0.00 0.00 179.01 179.44 2k0f h GLU 80 N 0.94 -0.76 0.00 2.33 4.81 -1.36 -1.29 114.58 119.25 2k0f h GLU 80 Ca 0.50 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.68 2k0f h GLU 80 Cb 0.55 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2k0f h GLU 80 CO -0.27 -0.51 -0.46 0.82 -0.73 0.00 0.00 179.01 177.87 2k0f h ILE 81 N -0.79 1.00 -0.37 2.32 2.04 -1.33 -1.89 117.51 118.48 2k0f h ILE 81 Ca -0.02 -1.81 -0.12 0.00 1.00 0.00 0.00 64.86 63.91 2k0f h ILE 81 Cb 0.76 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2k0f h ILE 81 CO -0.22 0.45 -0.26 0.03 0.00 0.00 0.00 178.15 178.15 2k0f h ARG 82 N 0.00 0.76 -0.32 2.37 3.08 -1.14 -2.89 114.38 116.25 2k0f h ARG 82 Ca -0.00 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2k0f h ARG 82 Cb 1.04 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2k0f h ARG 82 CO 0.06 0.94 -0.07 0.93 -1.07 0.00 0.00 179.97 180.76 2k0f h GLU 83 N 0.66 0.52 0.00 0.04 4.39 -1.03 0.20 114.58 119.35 2k0f h GLU 83 Ca 0.08 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 83 Cb 0.78 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2k0f h GLU 83 CO 0.06 0.60 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 2k0f n ALA 84 N -2.48 1.47 -0.06 3.43 0.00 -0.73 -2.19 120.51 119.95 2k0f n ALA 84 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 2k0f n ALA 84 Cb 0.29 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 2k0f n ALA 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k0f n PHE 85 N -1.44 0.00 0.22 0.00 -0.00 -1.05 -4.48 117.46 110.71 2k0f n PHE 85 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.53 2k0f n PHE 85 Cb 0.10 -0.53 0.50 0.00 -0.00 0.00 0.00 39.48 39.54 2k0f n PHE 85 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2k0f h ARG 86 N 0.00 0.01 -0.91 -4.13 2.43 -0.71 0.20 114.38 111.27 2k0f h ARG 86 Ca -0.30 -0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 86 Cb 1.59 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 31.03 2k0f h ARG 86 CO -0.01 0.19 0.47 0.28 -1.51 0.00 0.00 179.97 179.39 2k0f h VAL 87 N 0.01 0.60 0.01 0.20 2.07 -1.66 -3.32 116.25 114.15 2k0f h VAL 87 Ca -0.00 -0.19 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 2k0f h VAL 87 Cb 0.32 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2k0f h VAL 87 CO 0.02 0.10 -1.75 0.49 0.02 0.00 0.00 177.57 176.46 2k0f n PHE 88 N -4.92 0.68 -2.57 1.57 3.72 -0.15 -4.76 117.46 111.02 2k0f n PHE 88 Ca 0.21 0.28 -0.41 0.00 -0.05 0.00 0.00 57.45 57.48 2k0f n PHE 88 Cb 0.59 -1.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.03 2k0f n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 89 N -7.07 6.20 -0.20 4.37 2.15 0.53 -4.81 116.67 117.85 2k0f s ASP 89 Ca -0.32 -0.40 -0.16 0.00 0.43 0.00 0.00 52.55 52.10 2k0f s ASP 89 Cb 0.09 -2.55 -0.20 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 89 CO 0.57 -1.78 0.17 1.17 -0.17 0.00 0.00 175.17 175.13 2k0f n LYS 90 N 9.20 0.62 0.48 4.34 4.81 -1.26 -4.38 118.16 131.98 2k0f n LYS 90 Ca 0.03 0.44 -0.19 0.00 -0.87 0.00 0.00 58.31 57.72 2k0f n LYS 90 Cb 0.49 -1.70 -0.09 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.67 -1.04 0.00 3.14 2.03 -1.95 -3.48 116.42 114.45 2k0f h ASP 91 Ca -0.42 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2k0f h ASP 91 Cb 1.56 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 40.33 2k0f h ASP 91 CO -0.15 -0.70 0.00 0.61 -1.03 0.00 0.00 179.24 177.97 2k0f n GLY 92 N -1.37 1.25 0.06 7.15 0.00 -1.26 -4.99 105.19 106.03 2k0f n GLY 92 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.43 0.00 1.61 6.94 -1.26 -4.94 115.26 118.05 2k0f n ASN 93 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 54.58 55.12 2k0f n ASN 93 Cb 0.00 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 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 0.96 0.52 3.11 4.83 0.00 -1.26 -5.06 105.19 108.30 2k0f n GLY 94 Ca 0.05 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 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 0.62 -0.14 1.61 2.02 -1.26 -4.57 117.35 113.63 2k0f s TYR 95 Ca 0.00 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.70 2k0f s TYR 95 Cb 0.00 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 41.14 2k0f s TYR 95 CO 0.00 -0.31 -0.20 0.42 -1.57 0.00 0.00 175.55 173.89 2k0f s ILE 96 N -3.79 2.29 0.40 2.71 1.01 -0.26 -4.61 121.20 118.96 2k0f s ILE 96 Ca 0.08 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.90 2k0f s ILE 96 Cb 0.07 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2k0f s ILE 96 CO -0.08 0.54 0.41 -0.94 0.00 0.00 0.00 174.94 174.87 2k0f s SER 97 N 0.69 5.23 0.20 3.58 1.04 -1.26 -0.40 113.70 122.78 2k0f s SER 97 Ca -0.09 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.62 2k0f s SER 97 Cb -0.16 -0.66 0.30 0.00 0.10 0.00 0.00 66.02 65.60 2k0f s SER 97 CO 0.01 -0.63 1.20 0.00 0.98 0.00 0.00 173.24 174.80 2k0f n ALA 98 N -1.59 0.10 -0.15 5.32 0.00 -1.26 -0.95 120.51 121.98 2k0f n ALA 98 Ca 0.04 0.82 -0.11 0.00 0.00 0.00 0.00 53.44 54.19 2k0f n ALA 98 Cb 0.61 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 2k0f n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k0f h ALA 99 N 1.39 0.60 0.53 0.00 0.00 -1.98 0.76 119.26 120.55 2k0f h ALA 99 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 99 Cb 0.53 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k0f h ALA 99 CO -0.78 0.43 -0.25 0.93 0.00 0.00 0.00 179.25 179.58 2k0f h GLU 100 N 0.64 -0.69 -0.37 0.00 5.08 -1.80 -2.42 114.58 115.02 2k0f h GLU 100 Ca 0.12 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 100 Cb 0.56 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 2k0f h GLU 100 CO 0.03 -0.40 -0.39 1.25 -1.00 0.00 0.00 179.01 178.50 2k0f h LEU 101 N -0.85 -1.29 -1.38 1.33 5.85 -0.94 -2.48 115.31 115.54 2k0f h LEU 101 Ca -0.07 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2k0f h LEU 101 Cb 0.60 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2k0f h LEU 101 CO 0.12 -0.36 0.44 -0.09 -0.34 0.00 0.00 178.44 178.21 2k0f h ARG 102 N -0.32 0.78 0.24 1.25 2.43 -0.88 -2.30 114.38 115.58 2k0f h ARG 102 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 102 Cb 0.57 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 102 CO -0.54 0.52 -0.52 1.25 -1.51 0.00 0.00 179.97 179.17 2k0f h HIS 103 N 0.81 -1.48 -0.71 2.20 2.76 -1.13 -0.75 115.15 116.85 2k0f h HIS 103 Ca 0.27 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.55 2k0f h HIS 103 Cb 0.06 0.61 -0.07 0.00 1.55 0.00 0.00 27.41 29.57 2k0f h HIS 103 CO -0.00 -0.62 0.38 0.28 -1.30 0.00 0.00 177.93 176.66 2k0f h VAL 104 N -0.83 0.90 -0.37 5.26 2.07 -1.39 -0.11 116.25 121.77 2k0f h VAL 104 Ca -0.02 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 2k0f h VAL 104 Cb 0.80 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2k0f h VAL 104 CO -0.22 0.12 -0.04 0.24 0.02 0.00 0.00 177.57 177.69 2k0f h MET 105 N 0.66 0.60 -0.03 1.57 2.07 -1.28 -2.14 114.93 116.38 2k0f h MET 105 Ca 0.34 -0.15 -0.23 0.00 -2.07 0.00 0.00 59.70 57.58 2k0f h MET 105 Cb 0.30 -0.07 0.02 0.00 -1.87 0.00 0.00 31.60 29.98 2k0f h MET 105 CO -0.24 0.66 -0.89 1.15 1.07 0.00 0.00 176.91 178.66 2k0f h THR 106 N 0.57 1.31 -0.34 2.22 2.02 -0.46 -0.61 112.91 117.61 2k0f h THR 106 Ca 0.11 -2.15 0.06 0.00 0.77 0.00 0.00 66.41 65.20 2k0f h THR 106 Cb 0.43 2.36 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 2k0f h THR 106 CO 0.02 0.66 -0.01 0.78 0.37 0.00 0.00 175.52 177.34 2k0f h ASN 107 N 0.30 -0.16 -0.51 4.18 2.35 -0.92 -1.66 115.58 119.15 2k0f h ASN 107 Ca -0.10 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2k0f h ASN 107 Cb 1.55 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 40.04 2k0f h ASN 107 CO 0.18 -0.05 0.35 -0.07 -1.65 0.00 0.00 177.43 176.19 2k0f h LEU 108 N 0.08 0.30 -1.07 1.61 3.38 -1.43 -3.47 115.31 114.72 2k0f h LEU 108 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 108 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k0f h LEU 108 CO -0.29 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2k0f n GLY 109 N -1.53 0.86 3.60 0.83 0.00 -0.62 -5.06 105.19 103.27 2k0f n GLY 109 Ca 0.08 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.24 4.00 -0.24 1.61 2.56 -0.25 -4.97 118.70 117.17 2k0f s GLU 110 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.97 54.84 2k0f s GLU 110 Cb 0.00 -3.65 -0.05 0.00 2.00 0.00 0.00 34.13 32.43 2k0f s GLU 110 CO 0.00 -0.22 2.95 1.63 -0.56 0.00 0.00 175.26 179.06 2k0f n LYS 111 N 5.17 2.09 -3.60 4.30 4.76 -1.26 -4.59 118.16 125.03 2k0f n LYS 111 Ca -0.11 -1.59 -0.20 0.00 -2.87 0.00 0.00 58.31 53.54 2k0f n LYS 111 Cb 0.51 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.74 2k0f n LYS 111 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2k0f s LEU 112 N -1.18 3.83 0.49 -0.35 0.05 -1.26 -5.11 118.68 115.15 2k0f s LEU 112 Ca 0.55 -0.31 0.05 0.00 0.05 0.00 0.00 54.13 54.46 2k0f s LEU 112 Cb 0.32 -2.54 0.03 0.00 -2.05 0.00 0.00 46.19 41.94 2k0f s LEU 112 CO -0.10 -0.40 0.68 0.42 -0.55 0.00 0.00 176.35 176.40 2k0f s THR 113 N -2.23 2.79 0.22 5.48 -4.23 -1.26 -4.97 115.64 111.44 2k0f s THR 113 Ca 0.43 -0.83 0.10 0.00 -1.18 0.00 0.00 61.69 60.21 2k0f s THR 113 Cb -0.08 -2.96 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 2k0f s THR 113 CO 0.29 0.00 1.53 0.44 -0.54 0.00 0.00 174.62 176.34 2k0f h ASP 114 N 0.33 0.00 -1.00 3.99 5.19 -1.99 -0.97 116.42 121.97 2k0f h ASP 114 Ca -0.41 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.17 2k0f h ASP 114 Cb 1.29 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.70 2k0f h ASP 114 CO 0.48 0.71 0.62 -0.33 -3.12 0.00 0.00 179.24 177.59 2k0f h GLU 115 N 0.00 0.80 -0.22 3.56 3.07 -1.97 0.13 114.58 119.96 2k0f h GLU 115 Ca -0.01 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 2k0f h GLU 115 Cb 1.27 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2k0f h GLU 115 CO 0.09 0.53 -0.30 0.93 -1.40 0.00 0.00 179.01 178.86 2k0f h GLU 116 N 0.83 0.60 -0.21 2.33 5.08 -1.60 0.60 114.58 122.21 2k0f h GLU 116 Ca 0.55 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 116 Cb 0.77 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 2k0f h GLU 116 CO -0.34 0.95 -0.42 0.28 -1.00 0.00 0.00 179.01 178.49 2k0f h VAL 117 N 0.29 0.14 -0.42 3.13 2.07 -1.24 0.11 116.25 120.33 2k0f h VAL 117 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2k0f h VAL 117 Cb 0.88 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 2k0f h VAL 117 CO 0.07 0.00 -0.52 -0.78 0.02 0.00 0.00 177.57 176.36 2k0f h ASP 118 N -0.44 -1.75 1.35 0.57 3.58 -0.77 -0.13 116.42 118.83 2k0f h ASP 118 Ca 0.10 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2k0f h ASP 118 Cb 0.61 0.73 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2k0f h ASP 118 CO -0.45 -0.39 0.00 -0.08 -2.88 0.00 0.00 179.24 175.44 2k0f h GLU 119 N -0.37 0.00 -0.01 0.28 4.81 -0.63 -2.55 114.58 116.11 2k0f h GLU 119 Ca 0.09 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 119 Cb 0.59 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2k0f h GLU 119 CO -0.60 0.00 -0.45 1.98 -0.73 0.00 0.00 179.01 179.21 2k0f h MET 120 N 0.00 0.32 -0.87 1.92 4.05 -0.57 -0.19 114.93 119.58 2k0f h MET 120 Ca 0.00 -0.33 0.19 0.00 -0.28 0.00 0.00 59.70 59.28 2k0f h MET 120 Cb 0.67 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.45 2k0f h MET 120 CO 0.00 1.02 0.40 0.82 0.23 0.00 0.00 176.91 179.38 2k0f h ILE 121 N -0.25 0.57 -0.04 1.77 1.08 -0.78 -2.74 117.51 117.12 2k0f h ILE 121 Ca -0.05 -0.16 -0.18 0.00 -0.39 0.00 0.00 64.86 64.07 2k0f h ILE 121 Cb 1.17 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2k0f h ILE 121 CO 0.09 0.09 -0.78 0.03 -0.69 0.00 0.00 178.15 176.89 2k0f h ARG 122 N 0.48 0.28 -0.67 2.37 3.08 -1.24 -3.16 114.38 115.51 2k0f h ARG 122 Ca 0.52 -0.25 0.11 0.00 0.07 0.00 0.00 59.98 60.43 2k0f h ARG 122 Cb 0.90 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 2k0f h ARG 122 CO -0.47 0.92 0.45 1.49 -1.07 0.00 0.00 179.97 181.30 2k0f h GLU 123 N 0.18 0.43 0.16 0.04 4.81 -0.72 -1.93 114.58 117.55 2k0f h GLU 123 Ca -0.03 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.91 2k0f h GLU 123 Cb 1.36 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 30.67 2k0f h GLU 123 CO 0.12 0.29 -1.11 0.00 -0.73 0.00 0.00 179.01 177.59 2k0f h ALA 124 N 1.67 -0.08 -2.43 2.92 0.00 -1.51 -3.47 119.26 116.36 2k0f h ALA 124 Ca 0.32 -0.75 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 2k0f h ALA 124 Cb 0.63 0.12 0.10 0.00 0.00 0.00 0.00 17.79 18.64 2k0f h ALA 124 CO -0.10 0.55 0.36 0.34 0.00 0.00 0.00 179.25 180.40 2k0f s ASP 125 N -7.25 4.73 -0.05 0.00 -1.08 -0.72 -4.65 116.67 107.65 2k0f s ASP 125 Ca -0.11 1.25 0.02 0.00 -0.52 0.00 0.00 52.55 53.19 2k0f s ASP 125 Cb 0.03 -2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 39.45 2k0f s ASP 125 CO 0.89 -1.81 -0.02 -0.38 0.52 0.00 0.00 175.17 174.37 2k0f n ILE 126 N -3.32 0.31 -0.08 4.11 2.08 -1.26 -4.84 119.36 116.35 2k0f n ILE 126 Ca 0.07 -0.15 -0.10 0.00 0.56 0.00 0.00 62.75 63.13 2k0f n ILE 126 Cb 0.57 -0.79 -0.08 0.00 -0.75 0.00 0.00 39.64 38.59 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -2.41 2.62 -0.73 4.38 5.75 -1.26 -5.06 116.55 119.85 2k0f n ASP 127 Ca -0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 2k0f n ASP 127 Cb 0.62 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 128 N 2.65 0.67 0.07 6.12 0.00 -1.26 -5.03 105.19 108.41 2k0f n GLY 128 Ca -0.27 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 0.02 0.00 1.61 2.03 -2.01 -3.49 116.42 114.58 2k0f h ASP 129 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2k0f h ASP 129 Cb 0.59 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2k0f h ASP 129 CO 0.00 1.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.84 2k0f n GLY 130 N 1.43 0.99 3.56 7.15 0.00 -1.26 -5.14 105.19 111.92 2k0f n GLY 130 Ca -0.06 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N 0.00 1.84 -0.19 1.61 -0.21 -1.26 -4.83 119.66 116.62 2k0f s GLN 131 Ca 0.00 -2.01 -0.08 0.00 0.02 0.00 0.00 55.36 53.28 2k0f s GLN 131 Cb 0.00 -1.46 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 2k0f s GLN 131 CO 0.00 -0.03 0.09 0.08 -2.12 0.00 0.00 175.29 173.31 2k0f s VAL 132 N -2.83 5.07 0.38 1.09 1.01 0.47 -4.93 120.40 120.66 2k0f s VAL 132 Ca 0.34 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2k0f s VAL 132 Cb 0.08 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2k0f s VAL 132 CO 0.17 0.46 0.42 0.54 0.00 0.00 0.00 175.10 176.69 2k0f s ASN 133 N 0.31 5.44 0.07 3.32 2.20 -1.26 -1.10 114.94 123.92 2k0f s ASN 133 Ca 0.06 -0.49 0.04 0.00 -0.94 0.00 0.00 52.86 51.53 2k0f s ASN 133 Cb -0.12 -0.82 -0.24 0.00 -2.00 0.00 0.00 41.25 38.08 2k0f s ASN 133 CO -0.01 -0.56 1.11 0.22 -2.94 0.00 0.00 177.10 174.92 2k0f h TYR 134 N 0.96 0.15 -0.13 1.54 3.20 -1.99 -1.18 116.97 119.52 2k0f h TYR 134 Ca -0.43 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.32 2k0f h TYR 134 Cb 1.26 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2k0f h TYR 134 CO 0.47 1.10 0.04 0.93 -1.64 0.00 0.00 178.16 179.07 2k0f h GLU 135 N 0.02 0.20 0.00 1.82 5.08 -1.97 -2.31 114.58 117.42 2k0f h GLU 135 Ca -0.10 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 135 Cb 1.87 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2k0f h GLU 135 CO 0.14 0.33 -0.47 0.93 -1.00 0.00 0.00 179.01 178.94 2k0f h GLU 136 N 0.03 0.00 -0.63 2.33 5.08 -1.88 -2.84 114.58 116.67 2k0f h GLU 136 Ca 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2k0f h GLU 136 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2k0f h GLU 136 CO -0.00 0.47 0.23 0.35 -1.00 0.00 0.00 179.01 179.06 2k0f h PHE 137 N 0.00 0.95 -0.10 4.33 3.57 -1.01 -2.73 116.94 121.95 2k0f h PHE 137 Ca -0.00 -0.07 -0.19 0.00 3.53 0.00 0.00 57.97 61.24 2k0f h PHE 137 Cb 1.17 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 137 CO 0.00 0.74 -0.72 0.28 -2.23 0.00 0.00 178.31 176.38 2k0f h VAL 138 N 0.91 1.36 -0.09 1.41 2.07 -1.29 -2.54 116.25 118.09 2k0f h VAL 138 Ca 0.21 -2.08 -0.09 0.00 0.82 0.00 0.00 66.70 65.56 2k0f h VAL 138 Cb 0.21 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2k0f h VAL 138 CO -0.01 0.63 -0.29 -0.61 0.02 0.00 0.00 177.57 177.31 2k0f h GLN 139 N 0.32 0.35 0.00 1.57 4.15 -1.25 -0.13 115.11 120.13 2k0f h GLN 139 Ca -0.03 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.12 2k0f h GLN 139 Cb 1.29 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.03 2k0f h GLN 139 CO 0.13 0.88 -0.07 0.00 -1.93 0.00 0.00 178.83 177.84 2k0f h MET 140 N -0.11 0.00 -0.02 1.69 -0.00 -1.62 -3.29 114.93 111.57 2k0f h MET 140 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 2k0f h MET 140 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 2k0f h MET 140 CO 0.06 0.07 -0.27 0.52 -0.00 0.00 0.00 176.91 177.29 2k0f h MET 141 N 0.00 0.22 -0.01 -0.10 2.86 -0.86 -3.52 114.93 113.53 2k0f h MET 141 Ca -0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2k0f h MET 141 Cb 0.41 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2k0f h MET 141 CO 0.01 0.90 0.00 0.25 1.06 0.00 0.00 176.91 179.13