#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 0.00 -0.00 -0.78 3.07 -2.06 -1.89 114.58 112.92 2k0f h GLU 2 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 2k0f h GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2k0f h GLU 2 CO 0.00 0.24 -0.80 1.49 -1.40 0.00 0.00 179.01 178.54 2k0f h GLU 3 N 0.00 0.05 -0.27 2.33 4.81 -2.05 -2.33 114.58 117.11 2k0f h GLU 3 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 3 Cb 0.49 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 3 CO 0.03 0.82 -0.15 1.96 -0.73 0.00 0.00 179.01 180.94 2k0f h GLN 4 N 0.03 0.59 -0.49 1.92 4.20 -1.80 -1.20 115.11 118.35 2k0f h GLN 4 Ca -0.02 -0.27 0.09 0.00 0.06 0.00 0.00 58.65 58.51 2k0f h GLN 4 Cb 1.41 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 29.08 2k0f h GLN 4 CO 0.11 0.84 -0.37 0.82 -0.67 0.00 0.00 178.83 179.56 2k0f h ILE 5 N 0.32 0.16 -0.86 2.54 1.08 -1.34 -1.16 117.51 118.25 2k0f h ILE 5 Ca 0.06 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.75 2k0f h ILE 5 Cb 0.68 0.16 -0.13 0.00 -3.07 0.00 0.00 36.82 34.45 2k0f h ILE 5 CO 0.04 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.78 2k0f h ALA 6 N 0.71 1.27 -0.09 1.87 0.00 -1.35 -0.81 119.26 120.86 2k0f h ALA 6 Ca 0.18 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k0f h ALA 6 Cb 0.56 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 6 CO -0.61 -0.40 -0.07 1.49 0.00 0.00 0.00 179.25 179.65 2k0f h GLU 7 N 0.28 0.21 -0.72 0.00 4.81 -0.77 -1.04 114.58 117.35 2k0f h GLU 7 Ca 0.53 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.74 2k0f h GLU 7 Cb 1.02 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 2k0f h GLU 7 CO -0.59 0.61 0.39 0.74 -0.73 0.00 0.00 179.01 179.42 2k0f h PHE 8 N -0.18 0.70 -0.32 0.92 0.04 -0.99 -2.85 116.94 114.26 2k0f h PHE 8 Ca 0.02 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 2k0f h PHE 8 Cb 0.56 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2k0f h PHE 8 CO 0.08 0.29 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.61 2k0f h LYS 9 N 0.67 0.74 -0.79 1.51 3.64 -1.04 -0.05 116.57 121.25 2k0f h LYS 9 Ca 0.34 -0.36 0.18 0.00 -1.27 0.00 0.00 60.65 59.54 2k0f h LYS 9 Cb 0.30 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.98 2k0f h LYS 9 CO -0.23 0.98 -0.01 1.49 -2.27 0.00 0.00 179.45 179.40 2k0f h GLU 10 N 0.50 0.08 -0.77 1.90 4.57 -1.20 0.21 114.58 119.88 2k0f h GLU 10 Ca 0.06 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2k0f h GLU 10 Cb 0.81 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 2k0f h GLU 10 CO 0.06 0.05 0.31 0.00 -1.18 0.00 0.00 179.01 178.26 2k0f h ALA 11 N 1.75 0.99 -0.33 2.92 0.00 -1.28 -3.31 119.26 120.00 2k0f h ALA 11 Ca 0.43 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2k0f h ALA 11 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 11 CO -0.71 0.61 0.18 0.35 0.00 0.00 0.00 179.25 179.68 2k0f h PHE 12 N 1.10 0.34 0.00 0.00 3.57 -0.66 -3.24 116.94 118.05 2k0f h PHE 12 Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2k0f h PHE 12 Cb 0.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2k0f h PHE 12 CO 0.02 0.20 0.00 0.43 -2.23 0.00 0.00 178.31 176.72 2k0f n SER 13 N -4.92 0.00 0.18 0.41 7.64 0.70 -2.48 113.62 115.15 2k0f n SER 13 Ca -0.00 0.31 0.03 0.00 1.01 0.00 0.00 58.87 60.21 2k0f n SER 13 Cb 0.06 -0.43 0.37 0.00 -1.01 0.00 0.00 64.21 63.21 2k0f n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 14 N 0.00 0.03 0.15 -3.43 3.38 -1.65 -3.30 115.31 110.50 2k0f h LEU 14 Ca 0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 2k0f h LEU 14 Cb 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k0f h LEU 14 CO 0.00 0.36 -1.64 -0.26 0.09 0.00 0.00 178.44 176.99 2k0f h PHE 15 N 0.03 0.58 -3.47 1.13 0.04 -1.68 -3.46 116.94 110.10 2k0f h PHE 15 Ca 0.00 -0.42 -0.60 0.00 2.80 0.00 0.00 57.97 59.75 2k0f h PHE 15 Cb 0.60 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.63 2k0f h PHE 15 CO 0.00 1.64 0.53 0.34 -0.60 0.00 0.00 178.31 180.22 2k0f s ASP 16 N -7.16 6.67 -0.18 2.17 2.15 -1.23 -4.74 116.67 114.35 2k0f s ASP 16 Ca -0.18 0.59 -0.20 0.00 0.43 0.00 0.00 52.55 53.18 2k0f s ASP 16 Cb 0.05 -2.44 -0.22 0.00 -0.30 0.00 0.00 42.92 40.01 2k0f s ASP 16 CO 0.81 -0.78 0.33 0.11 -0.17 0.00 0.00 175.17 175.47 2k0f h LYS 17 N 8.37 0.06 -0.33 4.34 1.79 -1.88 -3.36 116.57 125.55 2k0f h LYS 17 Ca -0.23 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.02 2k0f h LYS 17 Cb 1.08 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 2k0f h LYS 17 CO 0.95 1.05 -0.31 0.38 -1.08 0.00 0.00 179.45 180.44 2k0f h ASP 18 N -0.81 0.72 -0.49 0.86 3.04 -1.96 -3.50 116.42 114.28 2k0f h ASP 18 Ca -0.31 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.19 2k0f h ASP 18 Cb 1.40 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 2k0f h ASP 18 CO -0.13 0.98 0.00 0.61 -2.04 0.00 0.00 179.24 178.66 2k0f n GLY 19 N -0.13 0.67 0.11 7.15 0.00 -1.26 -5.00 105.19 106.73 2k0f n GLY 19 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 0.43 0.00 1.61 2.03 -1.96 -3.47 116.42 115.06 2k0f h ASP 20 Ca 0.00 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2k0f h ASP 20 Cb 0.30 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2k0f h ASP 20 CO 0.00 1.39 0.00 0.61 -1.03 0.00 0.00 179.24 180.21 2k0f n GLY 21 N 1.57 1.50 3.02 7.15 0.00 -1.26 -5.12 105.19 112.05 2k0f n GLY 21 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -1.96 0.37 -0.33 2.61 -4.23 -1.26 -3.31 115.64 107.54 2k0f s THR 22 Ca 0.00 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.51 2k0f s THR 22 Cb 0.00 -0.46 0.02 0.00 1.34 0.00 0.00 72.50 73.40 2k0f s THR 22 CO 0.00 -0.36 0.13 -0.63 -0.54 0.00 0.00 174.62 173.22 2k0f s ILE 23 N -1.25 4.20 0.85 2.99 1.01 -0.68 -4.78 121.20 123.54 2k0f s ILE 23 Ca -0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2k0f s ILE 23 Cb -0.09 -3.25 0.15 0.00 0.01 0.00 0.00 42.46 39.28 2k0f s ILE 23 CO -0.00 -0.06 1.19 0.42 0.00 0.00 0.00 174.94 176.48 2k0f s THR 24 N 1.51 2.07 0.24 2.92 -4.23 -1.26 -3.16 115.64 113.74 2k0f s THR 24 Ca 0.02 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.30 2k0f s THR 24 Cb -0.18 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 70.96 2k0f s THR 24 CO 0.04 0.00 1.85 0.71 -0.54 0.00 0.00 174.62 176.69 2k0f h THR 25 N -1.17 1.25 0.00 3.99 1.35 -1.94 -1.49 112.91 114.91 2k0f h THR 25 Ca -0.43 -0.66 -0.10 0.00 -0.55 0.00 0.00 66.41 64.67 2k0f h THR 25 Cb 1.26 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2k0f h THR 25 CO 0.45 0.29 -0.46 0.11 -0.25 0.00 0.00 175.52 175.66 2k0f h LYS 26 N 1.19 0.00 0.00 4.72 1.57 -1.97 0.13 116.57 122.21 2k0f h LYS 26 Ca 0.29 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.85 2k0f h LYS 26 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2k0f h LYS 26 CO -0.04 0.46 -1.13 0.93 -0.57 0.00 0.00 179.45 179.10 2k0f h GLU 27 N 0.00 0.00 0.08 3.15 5.08 -1.82 -0.89 114.58 120.19 2k0f h GLU 27 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k0f h GLU 27 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k0f h GLU 27 CO 0.06 0.90 -0.04 1.25 -1.00 0.00 0.00 179.01 180.18 2k0f h LEU 28 N 0.00 -0.09 -0.91 1.33 5.85 -1.28 -2.99 115.31 117.22 2k0f h LEU 28 Ca -0.06 -0.27 0.17 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 28 Cb 1.81 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 42.70 2k0f h LEU 28 CO 0.12 0.51 -0.27 1.23 -0.34 0.00 0.00 178.44 179.69 2k0f h GLY 29 N -0.99 0.47 0.41 3.75 0.00 -0.79 -0.66 103.07 105.26 2k0f h GLY 29 Ca -0.01 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.75 2k0f h GLY 29 CO 0.02 -0.31 0.03 -0.84 0.00 0.00 0.00 176.54 175.44 2k0f h THR 30 N -0.01 0.73 -0.36 4.70 2.02 -1.23 0.74 112.91 119.50 2k0f h THR 30 Ca 0.40 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.45 2k0f h THR 30 Cb 0.64 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2k0f h THR 30 CO -0.93 0.02 -0.12 0.58 0.37 0.00 0.00 175.52 175.44 2k0f h VAL 31 N 0.14 1.28 -0.46 3.16 2.07 -1.28 -2.74 116.25 118.42 2k0f h VAL 31 Ca 0.20 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 2k0f h VAL 31 Cb 0.27 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2k0f h VAL 31 CO -0.30 0.40 -0.26 0.24 0.02 0.00 0.00 177.57 177.66 2k0f h MET 32 N 0.50 0.98 0.00 1.57 2.86 -1.01 -1.82 114.93 118.01 2k0f h MET 32 Ca 0.09 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2k0f h MET 32 Cb 0.64 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2k0f h MET 32 CO 0.04 1.12 0.00 2.89 1.06 0.00 0.00 176.91 182.02 2k0f n ARG 33 N -4.10 0.23 -0.01 1.72 1.85 0.24 -1.80 116.66 114.79 2k0f n ARG 33 Ca -0.01 0.28 -0.12 0.00 -1.00 0.00 0.00 57.85 57.01 2k0f n ARG 33 Cb 0.48 -1.81 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 2k0f n ARG 33 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2k0f h SER 34 N 0.00 -0.06 0.41 2.89 0.02 -1.28 -3.40 113.55 112.12 2k0f h SER 34 Ca 0.00 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 2k0f h SER 34 Cb 0.60 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k0f h SER 34 CO 0.00 0.63 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.06 2k0f h LEU 35 N -0.83 -0.46 0.00 5.07 3.38 -1.08 -3.48 115.31 117.90 2k0f h LEU 35 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 35 Cb 0.65 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2k0f h LEU 35 CO 0.01 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2k0f n GLY 36 N -0.35 -1.74 3.68 0.83 0.00 -0.74 -5.09 105.19 101.77 2k0f n GLY 36 Ca -0.07 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.61 4.26 -0.30 1.61 -0.21 -1.23 -4.60 119.66 117.58 2k0f s GLN 37 Ca 0.00 1.98 0.01 0.00 0.02 0.00 0.00 55.36 57.37 2k0f s GLN 37 Cb 0.00 -3.65 0.09 0.00 1.00 0.00 0.00 33.01 30.46 2k0f s GLN 37 CO 0.00 -0.63 0.05 1.21 -2.12 0.00 0.00 175.29 173.80 2k0f s ASN 38 N 2.10 4.21 1.38 5.90 2.47 -1.26 -4.40 114.94 125.34 2k0f s ASN 38 Ca 0.65 -1.71 -0.21 0.00 0.42 0.00 0.00 52.86 52.01 2k0f s ASN 38 Cb -0.31 -1.17 0.33 0.00 -1.45 0.00 0.00 41.25 38.65 2k0f s ASN 38 CO 0.26 -0.37 0.86 -0.81 -3.72 0.00 0.00 177.10 173.32 2k0f n PRO 39 N 4.62 -4.13 -2.54 0.43 -0.04 -1.26 -5.04 135.00 127.03 2k0f n PRO 39 Ca -0.02 -1.42 -0.27 0.00 -0.04 0.00 0.00 63.50 61.75 2k0f n PRO 39 Cb 0.43 -1.66 0.01 0.00 -0.04 0.00 0.00 33.50 32.24 2k0f n PRO 39 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k0f s THR 40 N -2.26 4.28 0.26 0.52 -4.23 -1.26 -4.92 115.64 108.03 2k0f s THR 40 Ca 0.63 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 2k0f s THR 40 Cb -0.09 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 2k0f s THR 40 CO 0.51 -0.64 1.61 -0.33 -0.54 0.00 0.00 174.62 175.23 2k0f h GLU 41 N 0.05 0.16 0.44 3.99 5.08 -1.98 -1.30 114.58 121.02 2k0f h GLU 41 Ca -0.46 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2k0f h GLU 41 Cb 1.23 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2k0f h GLU 41 CO 0.61 0.68 -0.50 0.00 -1.00 0.00 0.00 179.01 178.80 2k0f h ALA 42 N 1.30 -1.12 -0.86 3.43 0.00 -1.98 -1.26 119.26 118.76 2k0f h ALA 42 Ca -0.00 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.95 2k0f h ALA 42 Cb 1.03 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 19.43 2k0f h ALA 42 CO 0.08 -1.17 0.28 0.93 0.00 0.00 0.00 179.25 179.37 2k0f h GLU 43 N -0.95 0.26 0.17 0.00 5.08 -1.88 0.20 114.58 117.46 2k0f h GLU 43 Ca -0.05 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 43 Cb 0.83 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.06 2k0f h GLU 43 CO -0.09 0.17 -1.30 1.25 -1.00 0.00 0.00 179.01 178.04 2k0f h LEU 44 N 0.27 0.85 -0.72 1.33 5.85 -1.29 -0.84 115.31 120.76 2k0f h LEU 44 Ca 0.54 -0.86 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2k0f h LEU 44 Cb 1.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2k0f h LEU 44 CO -0.60 1.64 0.28 -0.61 -0.34 0.00 0.00 178.44 178.81 2k0f h GLN 45 N 0.20 1.09 -0.17 1.25 4.15 -0.51 -2.97 115.11 118.13 2k0f h GLN 45 Ca -0.21 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 58.88 2k0f h GLN 45 Cb 1.99 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 2k0f h GLN 45 CO 0.25 0.90 -0.43 -0.44 -1.93 0.00 0.00 178.83 177.18 2k0f h ASP 46 N 1.04 0.44 -0.23 -0.69 3.32 -0.52 -1.13 116.42 118.64 2k0f h ASP 46 Ca 0.24 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2k0f h ASP 46 Cb 0.23 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 2k0f h ASP 46 CO -0.02 0.82 -0.20 -0.03 -1.72 0.00 0.00 179.24 178.09 2k0f h MET 47 N 0.34 -0.20 0.32 3.56 4.05 -1.14 -2.05 114.93 119.81 2k0f h MET 47 Ca 0.03 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2k0f h MET 47 Cb 0.90 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2k0f h MET 47 CO 0.08 -0.13 -0.15 0.82 0.23 0.00 0.00 176.91 177.75 2k0f h ILE 48 N -0.21 0.49 -1.00 1.77 2.04 -1.43 -3.36 117.51 115.81 2k0f h ILE 48 Ca 0.13 -0.76 0.19 0.00 1.00 0.00 0.00 64.86 65.42 2k0f h ILE 48 Cb 0.41 0.78 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 2k0f h ILE 48 CO -0.36 0.11 0.60 0.78 0.00 0.00 0.00 178.15 179.28 2k0f h ASN 49 N -0.95 0.77 -0.62 1.72 2.35 -1.12 -0.29 115.58 117.45 2k0f h ASN 49 Ca -0.04 0.10 0.13 0.00 -0.55 0.00 0.00 56.30 55.93 2k0f h ASN 49 Cb 0.51 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 2k0f h ASN 49 CO 0.07 0.27 0.42 -0.08 -1.65 0.00 0.00 177.43 176.47 2k0f h GLU 50 N 0.76 0.29 0.06 0.81 4.81 -1.52 -3.13 114.58 116.65 2k0f h GLU 50 Ca 0.57 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 59.41 2k0f h GLU 50 Cb 0.89 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 2k0f h GLU 50 CO -0.38 0.19 -2.17 0.28 -0.73 0.00 0.00 179.01 176.19 2k0f n VAL 51 N -4.45 1.63 -1.82 0.32 0.31 -0.74 -4.86 118.33 108.72 2k0f n VAL 51 Ca 0.11 -0.56 -0.30 0.00 -0.01 0.00 0.00 64.34 63.58 2k0f n VAL 51 Cb 0.48 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k0f s ASP 52 N -6.86 4.74 0.03 4.52 2.15 -0.20 -4.89 116.67 116.17 2k0f s ASP 52 Ca -0.29 0.26 -0.10 0.00 0.43 0.00 0.00 52.55 52.85 2k0f s ASP 52 Cb 0.08 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.12 2k0f s ASP 52 CO 0.67 -2.89 1.16 0.00 -0.17 0.00 0.00 175.17 173.94 2k0f h ALA 53 N 14.99 -0.84 -0.05 3.66 0.00 -1.89 -3.28 119.26 131.85 2k0f h ALA 53 Ca -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k0f h ALA 53 Cb 1.13 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2k0f h ALA 53 CO 1.16 -0.85 0.04 0.38 0.00 0.00 0.00 179.25 179.97 2k0f h ASP 54 N -0.28 0.00 0.00 0.00 3.04 -1.93 -3.46 116.42 113.79 2k0f h ASP 54 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 2k0f h ASP 54 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 2k0f h ASP 54 CO -0.03 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.78 2k0f n GLY 55 N -1.54 1.27 0.12 7.15 0.00 -1.24 -5.02 105.19 105.93 2k0f n GLY 55 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.07 -1.89 -3.47 115.58 110.76 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.50 0.00 0.61 0.07 0.00 0.00 177.43 178.61 2k0f n GLY 57 N 1.29 1.26 3.15 9.14 0.00 -1.26 -5.11 105.19 113.67 2k0f n GLY 57 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.69 -0.19 2.61 -4.23 -1.26 -4.76 115.64 106.50 2k0f s THR 58 Ca 0.00 -1.76 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 2k0f s THR 58 Cb 0.00 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 2k0f s THR 58 CO 0.00 -0.76 0.35 -0.51 -0.54 0.00 0.00 174.62 173.16 2k0f s ILE 59 N -3.13 5.24 0.53 2.99 2.07 -1.19 -4.80 121.20 122.92 2k0f s ILE 59 Ca 0.07 0.63 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 2k0f s ILE 59 Cb 0.02 -3.69 0.02 0.00 0.13 0.00 0.00 42.46 38.94 2k0f s ILE 59 CO -0.03 0.31 0.76 -1.81 -1.91 0.00 0.00 174.94 172.25 2k0f s ASP 60 N 0.84 5.44 0.19 4.50 1.11 -1.26 -1.69 116.67 125.80 2k0f s ASP 60 Ca 0.18 0.13 -0.11 0.00 0.18 0.00 0.00 52.55 52.93 2k0f s ASP 60 Cb -0.14 -1.12 0.11 0.00 1.07 0.00 0.00 42.92 42.83 2k0f s ASP 60 CO 0.07 -1.03 1.78 0.15 1.18 0.00 0.00 175.17 177.32 2k0f h PHE 61 N 0.13 0.94 -0.34 4.23 3.57 -1.96 -1.18 116.94 122.32 2k0f h PHE 61 Ca -0.44 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.28 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 61 CO 0.40 0.70 0.27 -1.35 -2.23 0.00 0.00 178.31 176.09 2k0f h PRO 62 N 0.91 0.00 0.15 6.41 0.10 -1.95 -2.16 132.00 135.46 2k0f h PRO 62 Ca 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 66.32 2k0f h PRO 62 Cb 0.10 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.20 2k0f h PRO 62 CO -0.03 0.00 -0.07 0.93 0.10 0.00 0.00 178.00 178.93 2k0f h GLU 63 N 0.00 -0.20 -0.77 1.05 5.08 -1.80 -2.60 114.58 115.35 2k0f h GLU 63 Ca 0.16 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 2k0f h GLU 63 Cb 0.69 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.85 2k0f h GLU 63 CO -0.00 0.02 -0.34 0.35 -1.00 0.00 0.00 179.01 178.04 2k0f h PHE 64 N -1.02 -0.92 -0.63 4.33 3.04 -1.31 -2.07 116.94 118.36 2k0f h PHE 64 Ca -0.02 0.08 0.13 0.00 3.98 0.00 0.00 57.97 62.14 2k0f h PHE 64 Cb 0.31 0.52 -0.12 0.00 2.56 0.00 0.00 35.95 39.21 2k0f h PHE 64 CO 0.04 -0.39 -0.18 -0.07 -2.02 0.00 0.00 178.31 175.69 2k0f h LEU 65 N -0.08 -0.65 -0.56 0.59 3.38 -1.41 -1.04 115.31 115.54 2k0f h LEU 65 Ca 0.30 0.20 -0.14 0.00 0.09 0.00 0.00 57.88 58.32 2k0f h LEU 65 Cb 0.57 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2k0f h LEU 65 CO -0.81 -0.22 -0.67 0.74 0.09 0.00 0.00 178.44 177.57 2k0f h THR 66 N -0.02 1.39 0.17 0.22 2.02 -1.00 -0.72 112.91 114.97 2k0f h THR 66 Ca 0.30 -2.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 2k0f h THR 66 Cb 0.48 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2k0f h THR 66 CO -0.66 0.65 -0.08 -0.03 0.37 0.00 0.00 175.52 175.77 2k0f h MET 67 N 0.00 -0.22 0.01 6.66 1.85 -1.15 -3.36 114.93 118.72 2k0f h MET 67 Ca -0.01 0.02 -0.21 0.00 -0.61 0.00 0.00 59.70 58.89 2k0f h MET 67 Cb 1.25 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.32 2k0f h MET 67 CO 0.09 0.20 -0.91 0.52 -0.40 0.00 0.00 176.91 176.40 2k0f h MET 68 N -0.83 0.24 0.00 0.39 2.86 -1.10 -3.21 114.93 113.27 2k0f h MET 68 Ca -0.02 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2k0f h MET 68 Cb 0.52 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2k0f h MET 68 CO 0.04 1.00 0.00 0.00 1.06 0.00 0.00 176.91 179.01 2k0f n ALA 69 N -2.48 2.37 -2.65 6.32 0.00 -0.29 -4.69 120.51 119.10 2k0f n ALA 69 Ca -0.04 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2k0f n ALA 69 Cb 0.83 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.00 4.20 0.13 0.00 3.52 -1.21 -5.05 118.95 118.53 2k0f s ARG 70 Ca 0.31 0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 56.37 2k0f s ARG 70 Cb 0.14 -3.61 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 2k0f s ARG 70 CO 0.24 -0.36 1.72 0.21 -0.81 0.00 0.00 175.30 176.30 2k0f s LYS 71 N 2.32 4.16 0.71 5.12 2.47 -1.26 -5.02 119.74 128.25 2k0f s LYS 71 Ca 0.32 2.49 -0.04 0.00 -1.56 0.00 0.00 55.97 57.17 2k0f s LYS 71 Cb -0.16 -3.45 0.10 0.00 -1.46 0.00 0.00 37.83 32.86 2k0f s LYS 71 CO 0.10 -0.76 1.00 -1.64 0.16 0.00 0.00 175.35 174.20 2k0f s MET 72 N 2.24 1.86 0.91 4.03 -1.94 -1.26 -5.09 119.30 120.06 2k0f s MET 72 Ca 0.76 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.91 2k0f s MET 72 Cb -0.44 -2.25 0.17 0.00 2.01 0.00 0.00 34.83 34.32 2k0f s MET 72 CO 0.34 -1.37 1.26 0.21 -0.01 0.00 0.00 175.02 175.45 2k0f s LYS 73 N -5.20 0.97 0.00 2.03 2.20 -1.26 -4.82 119.74 113.66 2k0f s LYS 73 Ca 0.64 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2k0f s LYS 73 Cb -0.08 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 2k0f s LYS 73 CO 0.44 -2.17 0.99 -0.40 -0.36 0.00 0.00 175.35 173.85 2k0f n ASP 74 N -3.59 0.00 0.20 1.43 5.68 -1.26 -1.58 116.55 117.43 2k0f n ASP 74 Ca 0.14 0.99 0.04 0.00 -0.50 0.00 0.00 54.79 55.45 2k0f n ASP 74 Cb 0.60 -0.49 0.41 0.00 -1.14 0.00 0.00 41.12 40.49 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2k0f h THR 75 N 0.00 1.21 -0.38 2.12 1.35 -2.00 -2.51 112.91 112.70 2k0f h THR 75 Ca 0.00 -1.09 -0.09 0.00 -0.55 0.00 0.00 66.41 64.68 2k0f h THR 75 Cb 0.00 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2k0f h THR 75 CO 0.00 0.31 -0.14 0.44 -0.25 0.00 0.00 175.52 175.88 2k0f h ASP 76 N 0.00 0.67 0.17 5.36 3.32 -1.91 -0.74 116.42 123.29 2k0f h ASP 76 Ca -0.00 -0.20 -0.25 0.00 0.02 0.00 0.00 57.03 56.60 2k0f h ASP 76 Cb 0.56 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2k0f h ASP 76 CO 0.04 0.83 -1.00 0.28 -1.72 0.00 0.00 179.24 177.67 2k0f h SER 77 N 0.62 0.73 0.03 6.45 0.02 -0.99 -0.23 113.55 120.17 2k0f h SER 77 Ca 0.10 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2k0f h SER 77 Cb 0.59 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k0f h SER 77 CO 0.04 1.39 -0.01 -0.08 -1.14 0.00 0.00 176.83 177.02 2k0f h GLU 78 N 0.31 -0.03 -0.20 3.45 4.57 -1.14 -3.11 114.58 118.43 2k0f h GLU 78 Ca -0.11 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2k0f h GLU 78 Cb 1.65 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 2k0f h GLU 78 CO 0.19 -0.02 0.10 1.49 -1.18 0.00 0.00 179.01 179.58 2k0f h GLU 79 N -0.03 0.21 -0.55 1.92 4.81 -1.13 -1.32 114.58 118.48 2k0f h GLU 79 Ca -0.00 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2k0f h GLU 79 Cb 0.03 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 2k0f h GLU 79 CO 0.01 0.14 -0.47 1.49 -0.73 0.00 0.00 179.01 179.44 2k0f h GLU 80 N 0.22 -0.25 0.70 1.92 4.81 -0.96 0.12 114.58 121.14 2k0f h GLU 80 Ca 0.08 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 80 Cb 0.02 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 80 CO -0.06 -0.17 -0.34 0.82 -0.73 0.00 0.00 179.01 178.54 2k0f h ILE 81 N -0.26 0.00 -1.01 2.32 2.04 -1.52 -2.71 117.51 116.38 2k0f h ILE 81 Ca 0.15 -0.14 0.23 0.00 1.00 0.00 0.00 64.86 66.10 2k0f h ILE 81 Cb 0.57 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.54 2k0f h ILE 81 CO -0.68 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.01 2k0f h ARG 82 N -1.09 0.57 -0.53 2.37 2.43 -1.15 0.58 114.38 117.57 2k0f h ARG 82 Ca -0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2k0f h ARG 82 Cb 0.73 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2k0f h ARG 82 CO 0.16 0.37 0.19 0.93 -1.51 0.00 0.00 179.97 180.12 2k0f h GLU 83 N 0.58 0.77 -0.31 0.20 4.39 -0.83 -1.77 114.58 117.61 2k0f h GLU 83 Ca 0.60 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 60.16 2k0f h GLU 83 Cb 1.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2k0f h GLU 83 CO -0.37 0.65 0.13 0.00 -1.16 0.00 0.00 179.01 178.26 2k0f h ALA 84 N 1.46 0.40 -1.06 3.43 0.00 -0.57 -2.46 119.26 120.47 2k0f h ALA 84 Ca 0.18 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.29 2k0f h ALA 84 Cb 0.18 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 17.71 2k0f h ALA 84 CO -0.01 -0.02 0.63 0.35 0.00 0.00 0.00 179.25 180.20 2k0f h PHE 85 N 0.36 0.84 0.00 0.00 3.57 0.45 -0.75 116.94 121.41 2k0f h PHE 85 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 85 Cb 0.16 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2k0f h PHE 85 CO -0.01 -0.11 0.00 0.54 -2.23 0.00 0.00 178.31 176.50 2k0f n ARG 86 N -4.91 0.23 -0.02 1.11 1.74 -0.70 -1.80 116.66 112.31 2k0f n ARG 86 Ca 0.31 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.54 2k0f n ARG 86 Cb 1.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.79 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f n VAL 87 N -1.33 0.49 -0.00 1.55 0.31 -0.30 -4.60 118.33 114.45 2k0f n VAL 87 Ca 0.09 -0.61 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 2k0f n VAL 87 Cb 0.18 -0.20 -0.06 0.00 -0.91 0.00 0.00 33.84 32.84 2k0f n VAL 87 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2k0f h PHE 88 N 0.00 -0.11 -3.34 3.52 0.04 -1.20 -3.42 116.94 112.43 2k0f h PHE 88 Ca -0.15 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.05 2k0f h PHE 88 Cb 1.36 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 39.49 2k0f h PHE 88 CO 0.00 0.31 0.89 0.34 -0.60 0.00 0.00 178.31 179.25 2k0f s ASP 89 N -5.64 6.81 -0.05 2.17 -1.08 -0.86 -4.62 116.67 113.40 2k0f s ASP 89 Ca -0.10 0.98 -0.10 0.00 -0.52 0.00 0.00 52.55 52.82 2k0f s ASP 89 Cb -0.01 -2.54 -0.30 0.00 -1.46 0.00 0.00 42.92 38.61 2k0f s ASP 89 CO 0.36 -1.00 0.66 0.50 0.52 0.00 0.00 175.17 176.21 2k0f h LYS 90 N 8.61 0.37 0.00 4.34 1.63 -1.85 -3.34 116.57 126.33 2k0f h LYS 90 Ca -0.22 -0.63 -0.26 0.00 -0.85 0.00 0.00 60.65 58.69 2k0f h LYS 90 Cb 1.07 0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 2k0f h LYS 90 CO 1.05 1.28 -1.41 0.38 -3.45 0.00 0.00 179.45 177.31 2k0f h ASP 91 N 0.10 0.00 -0.00 4.20 3.04 -1.92 -3.49 116.42 118.35 2k0f h ASP 91 Ca -0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 2k0f h ASP 91 Cb 2.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.38 2k0f h ASP 91 CO 0.17 0.99 0.00 0.61 -2.04 0.00 0.00 179.24 178.97 2k0f n GLY 92 N 1.47 1.82 0.05 7.15 0.00 -1.25 -5.00 105.19 109.42 2k0f n GLY 92 Ca -0.10 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.04 0.40 0.00 1.61 6.94 -1.26 -4.91 115.26 118.08 2k0f n ASN 93 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 54.58 55.04 2k0f n ASN 93 Cb 0.01 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.87 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.41 1.33 2.92 4.83 0.00 -1.26 -5.10 105.19 109.33 2k0f n GLY 94 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.20 -0.35 1.61 2.02 -1.26 -4.49 117.35 112.69 2k0f s TYR 95 Ca 0.00 0.57 -0.26 0.00 -0.37 0.00 0.00 57.07 57.02 2k0f s TYR 95 Cb 0.00 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.45 2k0f s TYR 95 CO 0.00 -0.21 0.90 0.42 -1.57 0.00 0.00 175.55 175.09 2k0f s ILE 96 N 1.55 4.63 0.70 2.71 1.01 -0.59 -4.73 121.20 126.48 2k0f s ILE 96 Ca -0.05 1.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.83 2k0f s ILE 96 Cb -0.12 -4.29 0.11 0.00 0.01 0.00 0.00 42.46 38.17 2k0f s ILE 96 CO -0.06 -0.45 0.97 -0.44 0.00 0.00 0.00 174.94 174.95 2k0f s SER 97 N 1.78 4.51 0.26 3.58 0.01 -1.26 -1.27 113.70 121.31 2k0f s SER 97 Ca 0.37 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2k0f s SER 97 Cb -0.13 -0.25 0.34 0.00 0.21 0.00 0.00 66.02 66.19 2k0f s SER 97 CO 0.17 -1.74 1.67 0.00 0.41 0.00 0.00 173.24 173.75 2k0f h ALA 98 N -0.46 1.01 0.00 1.44 0.00 -1.98 -2.74 119.26 116.54 2k0f h ALA 98 Ca -0.38 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2k0f h ALA 98 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 98 CO 0.44 0.59 -1.69 0.00 0.00 0.00 0.00 179.25 178.59 2k0f n ALA 99 N -2.49 2.51 -0.16 0.00 0.00 -1.26 -2.56 120.51 116.55 2k0f n ALA 99 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 2k0f n ALA 99 Cb 0.45 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.10 2k0f n ALA 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 100 N 0.00 0.99 0.17 0.00 5.08 -1.86 -0.99 114.58 117.98 2k0f h GLU 100 Ca -0.07 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 100 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2k0f h GLU 100 CO 0.01 1.07 -0.08 1.25 -1.00 0.00 0.00 179.01 180.25 2k0f h LEU 101 N 0.86 -0.20 -2.04 1.33 5.85 -1.53 -1.72 115.31 117.87 2k0f h LEU 101 Ca 0.12 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2k0f h LEU 101 Cb 0.74 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2k0f h LEU 101 CO 0.06 0.02 0.14 -0.09 -0.34 0.00 0.00 178.44 178.23 2k0f h ARG 102 N -0.41 0.00 0.13 1.25 2.43 -1.21 0.56 114.38 117.13 2k0f h ARG 102 Ca -0.02 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2k0f h ARG 102 Cb 0.32 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2k0f h ARG 102 CO 0.04 0.00 -0.79 1.25 -1.51 0.00 0.00 179.97 178.96 2k0f h HIS 103 N 0.00 0.52 -0.23 2.20 2.76 -0.93 -1.86 115.15 117.61 2k0f h HIS 103 Ca 0.09 -0.38 -0.01 0.00 -2.20 0.00 0.00 60.37 57.87 2k0f h HIS 103 Cb 0.37 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2k0f h HIS 103 CO 0.00 1.30 0.08 0.28 -1.30 0.00 0.00 177.93 178.29 2k0f h VAL 104 N -0.40 1.10 -0.35 5.26 2.07 -0.92 0.27 116.25 123.28 2k0f h VAL 104 Ca -0.14 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2k0f h VAL 104 Cb 1.62 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2k0f h VAL 104 CO 0.14 0.12 0.06 0.24 0.02 0.00 0.00 177.57 178.16 2k0f h MET 105 N 0.33 0.58 -0.14 1.57 2.07 -0.93 -3.13 114.93 115.27 2k0f h MET 105 Ca 0.08 -0.15 -0.11 0.00 -2.07 0.00 0.00 59.70 57.45 2k0f h MET 105 Cb 0.09 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 2k0f h MET 105 CO -0.01 0.65 -0.39 1.15 1.07 0.00 0.00 176.91 179.38 2k0f h THR 106 N 0.42 1.30 -0.81 2.22 2.02 -0.48 -1.72 112.91 115.87 2k0f h THR 106 Ca 0.11 -1.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.76 2k0f h THR 106 Cb 0.35 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 2k0f h THR 106 CO 0.01 0.45 0.37 0.78 0.37 0.00 0.00 175.52 177.50 2k0f h ASN 107 N 0.26 1.07 1.22 4.18 -0.26 -0.44 -2.40 115.58 119.21 2k0f h ASN 107 Ca 0.03 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.59 2k0f h ASN 107 Cb 0.81 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 2k0f h ASN 107 CO 0.06 0.92 -0.15 -0.07 -1.06 0.00 0.00 177.43 177.13 2k0f h LEU 108 N 1.15 0.00 0.00 1.61 3.38 -1.47 -3.45 115.31 116.53 2k0f h LEU 108 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2k0f h LEU 108 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k0f h LEU 108 CO -0.03 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2k0f n GLY 109 N 0.43 0.52 3.83 0.83 0.00 -0.74 -4.84 105.19 105.22 2k0f n GLY 109 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.82 -0.47 1.61 0.41 -0.73 -4.95 118.70 118.39 2k0f s GLU 110 Ca 0.00 0.22 -0.14 0.00 -0.41 0.00 0.00 54.97 54.63 2k0f s GLU 110 Cb 0.00 -3.24 0.08 0.00 -1.78 0.00 0.00 34.13 29.19 2k0f s GLU 110 CO 0.00 0.66 0.38 0.21 -0.49 0.00 0.00 175.26 176.02 2k0f s LYS 111 N -0.85 2.89 0.20 1.61 2.47 -1.26 -3.52 119.74 121.28 2k0f s LYS 111 Ca 0.20 -1.44 -0.24 0.00 -1.56 0.00 0.00 55.97 52.94 2k0f s LYS 111 Cb -0.15 -4.08 -0.08 0.00 -1.46 0.00 0.00 37.83 32.06 2k0f s LYS 111 CO 0.09 -1.06 0.77 -0.51 0.16 0.00 0.00 175.35 174.81 2k0f s LEU 112 N 1.58 4.49 0.00 5.43 1.02 -1.26 -5.13 118.68 124.82 2k0f s LEU 112 Ca 0.04 1.59 0.00 0.00 0.02 0.00 0.00 54.13 55.78 2k0f s LEU 112 Cb -0.25 -3.45 0.00 0.00 0.02 0.00 0.00 46.19 42.51 2k0f s LEU 112 CO 0.05 0.13 0.00 0.35 0.02 0.00 0.00 176.35 176.90 2k0f n THR 113 N 1.22 0.00 0.07 5.49 -2.24 -1.26 -4.98 114.28 112.57 2k0f n THR 113 Ca -0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 2k0f n THR 113 Cb 0.50 -1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N 0.00 0.00 -0.54 3.42 3.32 -2.00 -2.75 116.42 117.87 2k0f h ASP 114 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2k0f h ASP 114 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2k0f h ASP 114 CO 0.00 0.39 0.30 -0.08 -1.72 0.00 0.00 179.24 178.14 2k0f h GLU 115 N 0.00 0.57 0.03 3.56 4.81 -1.99 -2.87 114.58 118.69 2k0f h GLU 115 Ca -0.10 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 58.87 2k0f h GLU 115 Cb 1.39 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.66 2k0f h GLU 115 CO 0.03 0.38 -0.89 0.93 -0.73 0.00 0.00 179.01 178.73 2k0f h GLU 116 N 0.59 0.55 0.10 1.92 5.08 -1.94 -2.42 114.58 118.46 2k0f h GLU 116 Ca 0.23 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2k0f h GLU 116 Cb 0.09 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0f h GLU 116 CO -0.13 1.25 -0.05 0.28 -1.00 0.00 0.00 179.01 179.36 2k0f h VAL 117 N 0.13 0.96 -0.58 3.13 2.07 -1.52 -2.62 116.25 117.82 2k0f h VAL 117 Ca -0.12 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.26 2k0f h VAL 117 Cb 1.59 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 2k0f h VAL 117 CO 0.17 0.05 -0.56 -0.78 0.02 0.00 0.00 177.57 176.47 2k0f h ASP 118 N -0.22 -1.94 -1.08 0.57 3.58 -1.58 -1.00 116.42 114.74 2k0f h ASP 118 Ca -0.01 0.27 0.29 0.00 0.42 0.00 0.00 57.03 58.00 2k0f h ASP 118 Cb 0.18 0.82 -0.09 0.00 1.72 0.00 0.00 39.33 41.95 2k0f h ASP 118 CO 0.02 -0.35 0.70 -0.08 -2.88 0.00 0.00 179.24 176.66 2k0f h GLU 119 N -0.28 0.32 0.11 0.28 4.81 -1.10 0.22 114.58 118.95 2k0f h GLU 119 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2k0f h GLU 119 Cb 0.53 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2k0f h GLU 119 CO -0.69 0.21 -0.05 0.52 -0.73 0.00 0.00 179.01 178.26 2k0f h MET 120 N 0.33 -0.14 -0.29 1.92 2.86 -1.05 -2.76 114.93 115.80 2k0f h MET 120 Ca 0.62 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 58.20 2k0f h MET 120 Cb 1.68 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 2k0f h MET 120 CO -0.29 0.36 -0.12 0.82 1.06 0.00 0.00 176.91 178.75 2k0f h ILE 121 N -0.82 1.22 -0.28 -1.22 1.08 -0.81 -1.03 117.51 115.65 2k0f h ILE 121 Ca -0.01 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.53 2k0f h ILE 121 Cb 0.57 1.14 -0.08 0.00 -3.07 0.00 0.00 36.82 35.38 2k0f h ILE 121 CO 0.02 0.32 -0.26 -0.09 -0.69 0.00 0.00 178.15 177.46 2k0f h ARG 122 N 0.45 -0.24 -0.29 2.37 2.43 -0.67 -0.96 114.38 117.47 2k0f h ARG 122 Ca 0.08 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2k0f h ARG 122 Cb 0.48 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2k0f h ARG 122 CO 0.03 -0.16 0.10 1.49 -1.51 0.00 0.00 179.97 179.91 2k0f h GLU 123 N -0.25 0.41 0.17 0.20 4.81 -1.19 -3.22 114.58 115.51 2k0f h GLU 123 Ca 0.15 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 123 Cb 0.48 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.81 2k0f h GLU 123 CO -0.42 0.36 -1.23 0.00 -0.73 0.00 0.00 179.01 176.99 2k0f h ALA 124 N 1.70 -0.09 -2.55 2.92 0.00 -0.98 -3.46 119.26 116.81 2k0f h ALA 124 Ca 0.10 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.70 2k0f h ALA 124 Cb 0.12 0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 124 CO -0.01 0.61 0.83 0.34 0.00 0.00 0.00 179.25 181.02 2k0f s ASP 125 N -7.38 6.70 -0.26 0.00 2.15 -0.38 -4.78 116.67 112.73 2k0f s ASP 125 Ca -0.10 2.45 -0.07 0.00 0.43 0.00 0.00 52.55 55.26 2k0f s ASP 125 Cb 0.04 -2.58 -0.13 0.00 -0.30 0.00 0.00 42.92 39.94 2k0f s ASP 125 CO 0.92 -0.76 -0.29 -0.38 -0.17 0.00 0.00 175.17 174.49 2k0f n ILE 126 N 4.10 1.43 0.00 4.11 5.41 -1.26 -4.91 119.36 128.23 2k0f n ILE 126 Ca 0.13 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.44 2k0f n ILE 126 Cb 0.41 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -3.77 0.00 0.00 4.38 5.68 -1.26 -5.05 116.55 116.53 2k0f n ASP 127 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 2k0f n ASP 127 Cb 0.91 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 2.89 0.00 0.11 6.12 0.00 -1.26 -5.06 105.19 107.99 2k0f n GLY 128 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 0.00 1.61 2.03 -1.99 -3.48 116.42 114.89 2k0f h ASP 129 Ca 0.00 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 2k0f h ASP 129 Cb 0.00 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.40 2k0f h ASP 129 CO 0.00 1.44 0.00 0.61 -1.03 0.00 0.00 179.24 180.26 2k0f n GLY 130 N 1.66 1.38 3.41 7.15 0.00 -1.26 -5.11 105.19 112.41 2k0f n GLY 130 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 1.46 -0.29 1.61 1.11 -1.26 -4.72 119.66 117.52 2k0f s GLN 131 Ca 0.00 -1.35 -0.11 0.00 0.01 0.00 0.00 55.36 53.91 2k0f s GLN 131 Cb 0.00 -1.92 -0.05 0.00 -1.01 0.00 0.00 33.01 30.04 2k0f s GLN 131 CO 0.00 0.45 0.20 0.08 0.01 0.00 0.00 175.29 176.03 2k0f s VAL 132 N -1.14 5.30 0.39 1.09 1.01 -0.40 -4.87 120.40 121.78 2k0f s VAL 132 Ca 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 2k0f s VAL 132 Cb -0.10 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2k0f s VAL 132 CO 0.07 0.21 0.53 -0.46 0.00 0.00 0.00 175.10 175.45 2k0f n ASN 133 N 5.08 0.44 -0.10 3.32 0.23 -1.26 -1.54 115.26 121.42 2k0f n ASN 133 Ca -0.14 -1.43 -0.10 0.00 -0.53 0.00 0.00 54.58 52.38 2k0f n ASN 133 Cb 0.52 -0.37 -0.03 0.00 -2.08 0.00 0.00 39.78 37.82 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.79 0.52 -0.31 -2.53 3.20 -1.99 -2.10 116.97 112.96 2k0f h TYR 134 Ca -0.17 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 2k0f h TYR 134 Cb 0.57 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2k0f h TYR 134 CO 0.00 0.57 0.11 0.93 -1.64 0.00 0.00 178.16 178.13 2k0f h GLU 135 N 0.32 0.48 -0.93 1.82 5.08 -1.98 0.11 114.58 119.49 2k0f h GLU 135 Ca 0.09 -0.09 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 135 Cb 0.32 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 2k0f h GLU 135 CO 0.00 0.50 0.51 0.93 -1.00 0.00 0.00 179.01 179.95 2k0f h GLU 136 N 0.36 0.63 0.83 2.33 5.08 -1.85 0.68 114.58 122.63 2k0f h GLU 136 Ca 0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 136 Cb 0.21 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 136 CO -0.01 0.42 -0.40 0.35 -1.00 0.00 0.00 179.01 178.37 2k0f h PHE 137 N 0.65 -1.03 -0.18 4.33 3.57 -0.75 -3.23 116.94 120.29 2k0f h PHE 137 Ca 0.53 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.94 2k0f h PHE 137 Cb 0.84 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2k0f h PHE 137 CO -0.06 -0.63 -0.20 0.28 -2.23 0.00 0.00 178.31 175.46 2k0f h VAL 138 N -1.19 1.23 0.00 1.41 2.07 -0.54 -3.08 116.25 116.16 2k0f h VAL 138 Ca -0.11 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 2k0f h VAL 138 Cb 0.86 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2k0f h VAL 138 CO 0.19 0.33 -0.29 -0.61 0.02 0.00 0.00 177.57 177.21 2k0f h GLN 139 N 0.29 0.00 -0.73 1.57 5.75 -0.98 -0.13 115.11 120.88 2k0f h GLN 139 Ca 0.05 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2k0f h GLN 139 Cb 0.53 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.04 2k0f h GLN 139 CO 0.04 0.29 0.48 0.52 -2.65 0.00 0.00 178.83 177.51 2k0f h MET 140 N 0.00 0.92 0.01 1.69 2.86 -1.55 -3.27 114.93 115.58 2k0f h MET 140 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2k0f h MET 140 Cb 0.83 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k0f h MET 140 CO 0.04 0.61 -0.20 0.52 1.06 0.00 0.00 176.91 178.93 2k0f h MET 141 N 0.94 0.01 0.00 1.72 2.86 -1.10 -3.53 114.93 115.84 2k0f h MET 141 Ca 0.28 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2k0f h MET 141 Cb -0.04 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2k0f h MET 141 CO -0.07 1.01 0.00 0.25 1.06 0.00 0.00 176.91 179.16