#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 -0.35 -0.14 1.09 3.07 -2.06 -2.18 114.58 114.01 2k0f h GLU 2 Ca 0.00 0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 2k0f h GLU 2 Cb 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2k0f h GLU 2 CO 0.00 -0.23 -0.26 0.93 -1.40 0.00 0.00 179.01 178.04 2k0f h GLU 3 N -0.36 0.26 0.00 2.33 4.39 -2.05 -1.04 114.58 118.10 2k0f h GLU 3 Ca 0.11 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2k0f h GLU 3 Cb 0.60 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2k0f h GLU 3 CO -0.59 0.51 -0.32 1.96 -1.16 0.00 0.00 179.01 179.41 2k0f h GLN 4 N 0.23 0.00 -0.41 2.33 4.20 -1.96 0.03 115.11 119.52 2k0f h GLN 4 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2k0f h GLN 4 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2k0f h GLN 4 CO 0.04 0.32 -0.08 0.82 -0.67 0.00 0.00 178.83 179.27 2k0f h ILE 5 N 0.00 1.27 -0.34 2.54 1.08 -0.67 -1.73 117.51 119.66 2k0f h ILE 5 Ca -0.00 -1.16 0.02 0.00 -0.39 0.00 0.00 64.86 63.33 2k0f h ILE 5 Cb 0.60 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2k0f h ILE 5 CO 0.04 0.39 0.17 0.00 -0.69 0.00 0.00 178.15 178.06 2k0f h ALA 6 N 0.86 0.42 -0.17 1.87 0.00 -0.67 0.34 119.26 121.91 2k0f h ALA 6 Ca 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k0f h ALA 6 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 6 CO 0.04 -0.20 -0.13 0.93 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 7 N 0.35 0.27 0.00 0.00 5.08 -1.03 -1.89 114.58 117.36 2k0f h GLU 7 Ca 0.14 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.17 2k0f h GLU 7 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2k0f h GLU 7 CO -0.10 0.41 -1.64 0.74 -1.00 0.00 0.00 179.01 177.42 2k0f h PHE 8 N 0.25 0.00 -0.56 4.33 -1.00 -1.02 -3.23 116.94 115.71 2k0f h PHE 8 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2k0f h PHE 8 Cb 0.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 2k0f h PHE 8 CO 0.01 0.92 0.35 -0.22 -1.61 0.00 0.00 178.31 177.76 2k0f h LYS 9 N 0.00 0.75 -0.55 1.51 3.64 -0.26 -1.50 116.57 120.16 2k0f h LYS 9 Ca -0.26 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2k0f h LYS 9 Cb 1.93 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 33.50 2k0f h LYS 9 CO 0.07 0.52 -0.03 0.93 -2.27 0.00 0.00 179.45 178.68 2k0f h GLU 10 N 0.75 0.08 -0.18 1.90 4.39 -1.50 -1.55 114.58 118.47 2k0f h GLU 10 Ca 0.20 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 2k0f h GLU 10 Cb -0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2k0f h GLU 10 CO -0.04 0.06 -0.44 0.00 -1.16 0.00 0.00 179.01 177.42 2k0f h ALA 11 N 1.51 0.89 -0.21 3.43 0.00 -1.39 -2.40 119.26 121.09 2k0f h ALA 11 Ca 0.28 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 11 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2k0f h ALA 11 CO -0.49 0.65 -0.01 0.35 0.00 0.00 0.00 179.25 179.75 2k0f h PHE 12 N 0.37 -0.03 -0.11 0.00 3.57 -1.25 -2.90 116.94 116.58 2k0f h PHE 12 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 12 Cb 0.93 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 12 CO 0.03 -0.04 0.09 0.77 -2.23 0.00 0.00 178.31 176.92 2k0f h SER 13 N 0.05 0.00 -0.65 0.41 0.02 -1.02 -0.49 113.55 111.87 2k0f h SER 13 Ca 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2k0f h SER 13 Cb 0.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2k0f h SER 13 CO -0.18 0.00 0.18 0.25 -1.14 0.00 0.00 176.83 175.94 2k0f h LEU 14 N 0.00 0.99 0.00 5.07 5.85 -1.23 -3.25 115.31 122.74 2k0f h LEU 14 Ca 0.05 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2k0f h LEU 14 Cb 0.22 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2k0f h LEU 14 CO -0.00 0.95 -0.26 -0.26 -0.34 0.00 0.00 178.44 178.52 2k0f h PHE 15 N 1.01 0.00 -1.94 1.25 0.04 -1.40 -3.41 116.94 112.48 2k0f h PHE 15 Ca 0.21 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.39 2k0f h PHE 15 Cb 0.33 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.49 2k0f h PHE 15 CO 0.02 0.64 1.33 -3.47 -0.60 0.00 0.00 178.31 176.23 2k0f n ASP 16 N -4.64 3.35 0.15 2.17 -0.08 -0.23 -4.87 116.55 112.41 2k0f n ASP 16 Ca -0.10 0.59 -0.13 0.00 -1.51 0.00 0.00 54.79 53.64 2k0f n ASP 16 Cb 0.33 -1.46 -0.08 0.00 2.34 0.00 0.00 41.12 42.26 2k0f n ASP 16 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k0f h LYS 17 N 12.18 -0.38 -0.10 -0.67 1.63 -1.86 -3.35 116.57 124.01 2k0f h LYS 17 Ca -0.43 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 2k0f h LYS 17 Cb 1.26 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2k0f h LYS 17 CO 0.96 -0.06 0.00 -0.44 -3.45 0.00 0.00 179.45 176.47 2k0f h ASP 18 N -0.74 0.17 0.00 4.20 3.32 -1.94 -3.47 116.42 117.95 2k0f h ASP 18 Ca -0.04 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2k0f h ASP 18 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2k0f h ASP 18 CO 0.07 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 2k0f n GLY 19 N -0.31 1.05 0.10 2.75 0.00 -1.26 -5.01 105.19 102.51 2k0f n GLY 19 Ca -0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N 1.01 1.86 0.00 1.61 5.75 -1.26 -5.02 116.55 120.50 2k0f n ASP 20 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2k0f n ASP 20 Cb 0.19 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.48 0.00 3.16 6.12 0.00 -1.26 -5.16 105.19 109.53 2k0f n GLY 21 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.03 -0.30 2.61 -4.23 -1.26 -4.66 115.64 107.83 2k0f s THR 22 Ca 0.00 -0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 2k0f s THR 22 Cb 0.00 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.37 2k0f s THR 22 CO 0.00 -0.15 0.18 -0.63 -0.54 0.00 0.00 174.62 173.48 2k0f s ILE 23 N -0.56 4.96 0.48 2.99 1.01 -0.81 -4.96 121.20 124.31 2k0f s ILE 23 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 2k0f s ILE 23 Cb -0.04 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2k0f s ILE 23 CO 0.02 0.14 0.77 0.42 0.00 0.00 0.00 174.94 176.28 2k0f s THR 24 N 1.69 4.61 0.20 2.92 -4.23 -1.26 -1.21 115.64 118.36 2k0f s THR 24 Ca 0.06 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 2k0f s THR 24 Cb -0.17 -3.75 0.20 0.00 1.34 0.00 0.00 72.50 70.12 2k0f s THR 24 CO 0.08 -0.69 1.64 0.71 -0.54 0.00 0.00 174.62 175.83 2k0f h THR 25 N 0.23 0.44 -1.21 3.99 1.35 -1.97 -2.46 112.91 113.29 2k0f h THR 25 Ca -0.47 -0.01 0.36 0.00 -0.55 0.00 0.00 66.41 65.75 2k0f h THR 25 Cb 1.22 0.42 -0.11 0.00 -1.73 0.00 0.00 68.15 67.95 2k0f h THR 25 CO 0.61 0.00 0.79 0.11 -0.25 0.00 0.00 175.52 176.78 2k0f h LYS 26 N 0.02 0.20 0.04 4.72 1.57 -1.98 0.19 116.57 121.32 2k0f h LYS 26 Ca 0.28 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.80 2k0f h LYS 26 Cb 0.43 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2k0f h LYS 26 CO -0.58 0.13 -1.28 0.93 -0.57 0.00 0.00 179.45 178.08 2k0f h GLU 27 N 0.20 0.08 0.23 3.15 5.08 -1.82 -2.42 114.58 119.08 2k0f h GLU 27 Ca 0.71 -0.13 -0.34 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 27 Cb 2.13 0.05 0.03 0.00 0.50 0.00 0.00 28.75 31.46 2k0f h GLU 27 CO -0.32 0.94 -1.54 -0.07 -1.00 0.00 0.00 179.01 177.01 2k0f h LEU 28 N 0.02 0.75 -0.41 1.33 3.38 -1.14 -1.58 115.31 117.66 2k0f h LEU 28 Ca -0.13 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 57.00 2k0f h LEU 28 Cb 1.89 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 2k0f h LEU 28 CO 0.13 1.73 -0.16 1.23 0.09 0.00 0.00 178.44 181.46 2k0f h GLY 29 N 0.29 0.18 1.69 0.83 0.00 -0.76 -1.83 103.07 103.46 2k0f h GLY 29 Ca -0.28 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2k0f h GLY 29 CO 0.24 -0.19 0.11 -0.84 0.00 0.00 0.00 176.54 175.86 2k0f h THR 30 N -0.08 1.12 -0.08 4.70 2.02 -1.44 -1.45 112.91 117.69 2k0f h THR 30 Ca 0.20 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.88 2k0f h THR 30 Cb 0.39 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2k0f h THR 30 CO -0.47 0.14 -0.44 1.62 0.37 0.00 0.00 175.52 176.74 2k0f h VAL 31 N 0.41 1.39 -0.21 3.16 3.04 -0.69 -2.28 116.25 121.07 2k0f h VAL 31 Ca 0.10 -1.81 -0.11 0.00 -1.01 0.00 0.00 66.70 63.87 2k0f h VAL 31 Cb 0.09 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2k0f h VAL 31 CO -0.01 0.53 -0.34 0.24 -1.01 0.00 0.00 177.57 176.98 2k0f h MET 32 N -0.00 0.43 -0.46 4.17 2.86 -1.32 -2.06 114.93 118.56 2k0f h MET 32 Ca -0.03 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 2k0f h MET 32 Cb 1.10 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2k0f h MET 32 CO 0.09 0.73 -0.13 -0.09 1.06 0.00 0.00 176.91 178.57 2k0f h ARG 33 N 0.37 0.85 0.00 1.72 2.43 -1.16 0.49 114.38 119.08 2k0f h ARG 33 Ca 0.04 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 2k0f h ARG 33 Cb 0.78 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2k0f h ARG 33 CO 0.06 0.93 -0.21 1.03 -1.51 0.00 0.00 179.97 180.27 2k0f h SER 34 N 0.76 0.00 0.00 -3.80 0.87 -0.98 -3.15 113.55 107.25 2k0f h SER 34 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2k0f h SER 34 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k0f h SER 34 CO 0.04 0.21 0.00 0.18 -0.53 0.00 0.00 176.83 176.74 2k0f n LEU 35 N -3.91 0.97 0.00 2.23 4.77 -0.81 -4.82 117.00 115.43 2k0f n LEU 35 Ca -0.02 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2k0f n LEU 35 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k0f n LEU 35 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2k0f n GLY 36 N 0.62 0.00 3.15 -0.72 0.00 0.16 -5.09 105.19 103.30 2k0f n GLY 36 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.52 -0.93 1.61 2.00 -0.29 -4.94 119.66 117.63 2k0f s GLN 37 Ca 0.00 -0.29 -0.02 0.00 -2.00 0.00 0.00 55.36 53.06 2k0f s GLN 37 Cb 0.00 0.22 0.26 0.00 0.80 0.00 0.00 33.01 34.29 2k0f s GLN 37 CO 0.00 -0.13 1.02 0.09 -0.50 0.00 0.00 175.29 175.77 2k0f n ASN 38 N 1.51 4.93 -4.80 6.67 3.02 -1.26 -3.00 115.26 122.33 2k0f n ASN 38 Ca -0.22 -3.26 -0.30 0.00 -0.03 0.00 0.00 54.58 50.78 2k0f n ASN 38 Cb 0.56 -1.09 0.10 0.00 -0.61 0.00 0.00 39.78 38.74 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k0f s PRO 39 N -1.97 1.96 0.16 3.52 0.04 -1.26 -5.06 135.00 132.38 2k0f s PRO 39 Ca 0.31 0.63 0.05 0.00 0.04 0.00 0.00 61.00 62.03 2k0f s PRO 39 Cb -0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2k0f s PRO 39 CO -0.04 -1.71 0.13 -0.08 0.04 0.00 0.00 177.00 175.35 2k0f s THR 40 N -3.15 4.51 0.27 1.26 -1.32 -1.26 -5.01 115.64 110.94 2k0f s THR 40 Ca 0.61 -1.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.10 2k0f s THR 40 Cb -0.15 -3.29 0.01 0.00 -1.51 0.00 0.00 72.50 67.57 2k0f s THR 40 CO 0.54 -0.08 1.65 -0.08 -2.21 0.00 0.00 174.62 174.44 2k0f h GLU 41 N 2.50 0.27 -0.81 7.08 4.81 -1.98 -1.63 114.58 124.81 2k0f h GLU 41 Ca -0.48 -0.14 0.16 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 41 Cb 1.20 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 2k0f h GLU 41 CO 0.64 0.68 0.54 0.00 -0.73 0.00 0.00 179.01 180.14 2k0f h ALA 42 N 1.30 2.10 0.00 2.92 0.00 -1.98 0.30 119.26 123.90 2k0f h ALA 42 Ca 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2k0f h ALA 42 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k0f h ALA 42 CO 0.07 -0.33 -0.67 0.93 0.00 0.00 0.00 179.25 179.26 2k0f h GLU 43 N 0.45 0.00 0.14 0.00 5.08 -1.72 -2.03 114.58 116.50 2k0f h GLU 43 Ca 0.41 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 43 Cb 0.91 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k0f h GLU 43 CO -0.15 0.67 -1.25 -0.07 -1.00 0.00 0.00 179.01 177.21 2k0f h LEU 44 N 0.00 0.59 -0.35 1.33 3.38 -0.73 -2.87 115.31 116.66 2k0f h LEU 44 Ca -0.01 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 2k0f h LEU 44 Cb 1.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2k0f h LEU 44 CO 0.09 1.45 -0.30 1.56 0.09 0.00 0.00 178.44 181.33 2k0f h GLN 45 N 0.14 0.00 -0.53 1.13 4.20 -0.46 -1.00 115.11 118.59 2k0f h GLN 45 Ca -0.16 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 2k0f h GLN 45 Cb 1.95 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.71 2k0f h GLN 45 CO 0.22 0.30 0.09 0.22 -0.67 0.00 0.00 178.83 178.99 2k0f h ASP 46 N 0.00 0.78 -0.20 1.46 3.58 -1.30 0.77 116.42 121.51 2k0f h ASP 46 Ca -0.00 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.15 2k0f h ASP 46 Cb 1.10 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2k0f h ASP 46 CO 0.04 0.79 -0.43 -0.03 -2.88 0.00 0.00 179.24 176.73 2k0f h MET 47 N 0.79 0.64 0.42 0.28 4.05 -1.27 -3.10 114.93 116.74 2k0f h MET 47 Ca 0.17 -0.42 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2k0f h MET 47 Cb 0.34 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2k0f h MET 47 CO 0.00 1.04 -0.20 0.82 0.23 0.00 0.00 176.91 178.81 2k0f h ILE 48 N 0.33 0.56 0.00 1.77 2.04 -1.03 -3.27 117.51 117.91 2k0f h ILE 48 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2k0f h ILE 48 Cb 1.03 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2k0f h ILE 48 CO 0.09 0.06 0.00 0.78 0.00 0.00 0.00 178.15 179.09 2k0f h ASN 49 N -0.78 0.00 -0.43 1.72 2.35 -0.92 0.18 115.58 117.71 2k0f h ASN 49 Ca -0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 2k0f h ASN 49 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2k0f h ASN 49 CO 0.09 0.00 0.07 -0.08 -1.65 0.00 0.00 177.43 175.86 2k0f h GLU 50 N 0.00 0.71 -0.00 0.81 4.81 -1.59 -3.30 114.58 116.02 2k0f h GLU 50 Ca 0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 50 Cb 0.11 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2k0f h GLU 50 CO 0.00 0.74 -0.61 1.33 -0.73 0.00 0.00 179.01 179.74 2k0f n VAL 51 N -4.49 0.00 -1.91 0.32 0.24 -0.40 -4.89 118.33 107.20 2k0f n VAL 51 Ca -0.00 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 61.80 2k0f n VAL 51 Cb 0.24 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.58 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -2.23 4.93 0.11 -1.34 2.15 0.51 -4.79 116.67 116.01 2k0f s ASP 52 Ca 0.05 0.07 -0.15 0.00 0.43 0.00 0.00 52.55 52.96 2k0f s ASP 52 Cb 0.10 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.11 2k0f s ASP 52 CO 0.54 -2.77 1.45 0.00 -0.17 0.00 0.00 175.17 174.22 2k0f h ALA 53 N 14.13 0.46 0.16 3.66 0.00 -1.89 -3.35 119.26 132.42 2k0f h ALA 53 Ca -0.10 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.17 2k0f h ALA 53 Cb 1.10 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.82 2k0f h ALA 53 CO 1.18 0.43 -1.08 0.38 0.00 0.00 0.00 179.25 180.16 2k0f h ASP 54 N 0.48 0.68 0.00 0.00 3.04 -1.96 -3.48 116.42 115.18 2k0f h ASP 54 Ca 0.06 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.96 2k0f h ASP 54 Cb 0.80 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 2k0f h ASP 54 CO 0.06 1.52 0.00 0.61 -2.04 0.00 0.00 179.24 179.39 2k0f n GLY 55 N 1.55 1.45 0.10 7.15 0.00 -1.26 -5.00 105.19 109.19 2k0f n GLY 55 Ca -0.14 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.12 0.79 0.00 1.61 0.23 -1.26 -4.98 115.26 111.76 2k0f n ASN 56 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 2k0f n ASN 56 Cb 0.02 0.50 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 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 1.21 0.75 3.49 4.83 0.00 -1.26 -5.07 105.19 109.13 2k0f n GLY 57 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.61 2.34 -0.37 2.61 -4.23 -1.26 -4.77 115.64 107.34 2k0f s THR 58 Ca 0.00 -2.33 -0.16 0.00 -1.18 0.00 0.00 61.69 58.02 2k0f s THR 58 Cb 0.00 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2k0f s THR 58 CO 0.00 -0.34 0.40 -0.51 -0.54 0.00 0.00 174.62 173.63 2k0f s ILE 59 N -2.58 5.13 0.61 2.99 2.07 -0.35 -4.86 121.20 124.22 2k0f s ILE 59 Ca 0.30 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.45 2k0f s ILE 59 Cb -0.02 -3.91 0.07 0.00 0.13 0.00 0.00 42.46 38.72 2k0f s ILE 59 CO 0.15 -0.23 0.86 -1.81 -1.91 0.00 0.00 174.94 172.00 2k0f s ASP 60 N 1.76 4.94 0.03 4.50 1.11 -1.26 -1.93 116.67 125.83 2k0f s ASP 60 Ca 0.12 -0.15 -0.25 0.00 0.18 0.00 0.00 52.55 52.45 2k0f s ASP 60 Cb -0.17 -0.55 -0.17 0.00 1.07 0.00 0.00 42.92 43.10 2k0f s ASP 60 CO 0.12 -1.40 1.46 0.15 1.18 0.00 0.00 175.17 176.68 2k0f h PHE 61 N -0.15 -0.15 0.00 4.23 3.57 -1.97 -2.14 116.94 120.33 2k0f h PHE 61 Ca -0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k0f h PHE 61 Cb 1.29 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2k0f h PHE 61 CO 0.19 0.11 0.03 -0.35 -2.23 0.00 0.00 178.31 176.05 2k0f n PRO 62 N -5.05 0.11 -0.06 6.41 -0.04 -1.26 0.11 135.00 135.21 2k0f n PRO 62 Ca -0.09 0.61 -0.08 0.00 -0.04 0.00 0.00 63.50 63.90 2k0f n PRO 62 Cb 0.18 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.00 -0.98 0.54 5.08 -1.73 -2.93 114.58 114.56 2k0f h GLU 63 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 63 Cb 0.05 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.15 2k0f h GLU 63 CO 0.00 0.52 -0.44 0.35 -1.00 0.00 0.00 179.01 178.44 2k0f h PHE 64 N -1.00 -1.31 -0.02 4.33 3.57 -0.98 0.41 116.94 121.93 2k0f h PHE 64 Ca -0.01 0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2k0f h PHE 64 Cb 0.54 0.71 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2k0f h PHE 64 CO 0.14 -0.40 0.04 -0.07 -2.23 0.00 0.00 178.31 175.79 2k0f h LEU 65 N -0.01 0.00 0.02 0.59 3.38 -0.46 -1.79 115.31 117.03 2k0f h LEU 65 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2k0f h LEU 65 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k0f h LEU 65 CO -0.96 0.00 -0.32 0.74 0.09 0.00 0.00 178.44 177.98 2k0f h THR 66 N 0.00 1.60 -0.97 0.22 2.02 -0.78 -2.31 112.91 112.69 2k0f h THR 66 Ca 0.01 -2.34 0.25 0.00 0.77 0.00 0.00 66.41 65.10 2k0f h THR 66 Cb 0.08 3.17 -0.13 0.00 -1.74 0.00 0.00 68.15 69.53 2k0f h THR 66 CO -0.00 0.57 0.53 -0.03 0.37 0.00 0.00 175.52 176.96 2k0f h MET 67 N -0.92 0.47 0.00 6.66 -1.53 -0.86 -1.41 114.93 117.34 2k0f h MET 67 Ca -0.08 -0.03 -0.22 0.00 -3.44 0.00 0.00 59.70 55.93 2k0f h MET 67 Cb 1.13 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 32.04 2k0f h MET 67 CO -0.02 0.31 -1.43 0.52 0.14 0.00 0.00 176.91 176.44 2k0f h MET 68 N 0.48 0.00 -0.34 0.39 2.07 -1.44 -3.38 114.93 112.71 2k0f h MET 68 Ca 0.63 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 58.18 2k0f h MET 68 Cb 1.24 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.96 2k0f h MET 68 CO -0.51 0.48 -0.11 0.00 1.07 0.00 0.00 176.91 177.84 2k0f h ALA 69 N 1.18 0.48 -2.06 6.32 0.00 -0.68 -3.44 119.26 121.06 2k0f h ALA 69 Ca -0.19 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 2k0f h ALA 69 Cb 1.79 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 2k0f h ALA 69 CO 0.07 0.35 0.58 1.03 0.00 0.00 0.00 179.25 181.28 2k0f s ARG 70 N -4.71 3.85 -0.11 0.00 0.52 -0.86 -5.00 118.95 112.64 2k0f s ARG 70 Ca -0.13 0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 55.59 2k0f s ARG 70 Cb 0.09 -3.79 0.04 0.00 0.52 0.00 0.00 34.95 31.81 2k0f s ARG 70 CO 0.80 -0.91 0.26 0.21 0.02 0.00 0.00 175.30 175.68 2k0f s LYS 71 N 3.41 0.26 0.00 3.54 2.20 -1.26 -4.93 119.74 122.96 2k0f s LYS 71 Ca 0.37 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2k0f s LYS 71 Cb -0.12 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 2k0f s LYS 71 CO 0.18 -0.11 0.00 -0.12 -0.36 0.00 0.00 175.35 174.94 2k0f n MET 72 N 3.65 0.00 -2.07 4.03 0.00 -1.26 -5.06 117.12 116.41 2k0f n MET 72 Ca -0.19 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.09 2k0f n MET 72 Cb 0.56 -0.44 -0.02 0.00 0.00 0.00 0.00 33.22 33.32 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k0f s LYS 73 N -0.95 4.31 0.00 2.12 1.02 -1.26 -4.92 119.74 120.06 2k0f s LYS 73 Ca 0.00 2.25 0.25 0.00 0.02 0.00 0.00 55.97 58.50 2k0f s LYS 73 Cb 0.00 -3.10 0.57 0.00 -0.52 0.00 0.00 37.83 34.78 2k0f s LYS 73 CO 0.00 -0.31 1.45 -0.25 -0.92 0.00 0.00 175.35 175.32 2k0f n ASP 74 N 1.64 1.07 0.24 2.83 8.00 -1.26 -3.27 116.55 125.80 2k0f n ASP 74 Ca 0.04 -0.87 0.13 0.00 0.71 0.00 0.00 54.79 54.80 2k0f n ASP 74 Cb 0.41 0.24 0.50 0.00 -0.02 0.00 0.00 41.12 42.25 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 1.11 0.25 -0.37 -3.53 1.35 -2.03 -3.01 112.91 106.68 2k0f h THR 75 Ca 0.00 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.90 2k0f h THR 75 Cb 0.54 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2k0f h THR 75 CO 0.00 0.11 -0.10 0.44 -0.25 0.00 0.00 175.52 175.72 2k0f h ASP 76 N 0.00 0.63 0.04 5.36 5.19 -1.96 -3.24 116.42 122.44 2k0f h ASP 76 Ca -0.00 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2k0f h ASP 76 Cb 0.70 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 2k0f h ASP 76 CO 0.01 0.77 -0.00 0.28 -3.12 0.00 0.00 179.24 177.18 2k0f h SER 77 N 0.59 0.00 0.03 6.45 0.02 -1.70 -1.48 113.55 117.47 2k0f h SER 77 Ca 0.11 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2k0f h SER 77 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2k0f h SER 77 CO 0.03 0.00 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.23 2k0f h GLU 78 N 0.00 0.06 -0.18 3.45 4.39 -1.71 -3.30 114.58 117.30 2k0f h GLU 78 Ca -0.00 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 78 Cb 0.02 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 78 CO 0.00 1.05 0.06 0.93 -1.16 0.00 0.00 179.01 179.89 2k0f h GLU 79 N -0.87 0.15 -0.37 2.33 4.39 -1.60 -2.75 114.58 115.86 2k0f h GLU 79 Ca -0.03 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2k0f h GLU 79 Cb 1.13 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 2k0f h GLU 79 CO 0.03 0.10 0.05 0.93 -1.16 0.00 0.00 179.01 178.96 2k0f h GLU 80 N 0.15 0.17 -0.02 2.33 5.08 -1.39 0.16 114.58 121.06 2k0f h GLU 80 Ca 0.08 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 2k0f h GLU 80 Cb 0.04 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 80 CO -0.07 0.11 -0.87 0.82 -1.00 0.00 0.00 179.01 178.00 2k0f h ILE 81 N 0.17 1.41 -0.16 3.13 2.04 -1.64 -1.64 117.51 120.82 2k0f h ILE 81 Ca 0.18 -2.39 -0.13 0.00 1.00 0.00 0.00 64.86 63.52 2k0f h ILE 81 Cb 0.22 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2k0f h ILE 81 CO -0.25 0.71 -0.40 -0.09 0.00 0.00 0.00 178.15 178.12 2k0f h ARG 82 N 0.23 0.56 -0.69 2.37 2.43 -0.98 0.63 114.38 118.93 2k0f h ARG 82 Ca -0.06 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 2k0f h ARG 82 Cb 1.49 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 2k0f h ARG 82 CO 0.15 1.00 0.18 0.93 -1.51 0.00 0.00 179.97 180.72 2k0f h GLU 83 N 0.21 1.10 -0.04 0.20 4.39 -0.81 -1.25 114.58 118.38 2k0f h GLU 83 Ca -0.00 -0.26 -0.18 0.00 0.34 0.00 0.00 59.36 59.25 2k0f h GLU 83 Cb 1.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2k0f h GLU 83 CO 0.09 0.97 -0.77 0.00 -1.16 0.00 0.00 179.01 178.13 2k0f h ALA 84 N 1.08 0.60 -0.72 3.43 0.00 -1.01 -1.64 119.26 121.00 2k0f h ALA 84 Ca 0.22 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k0f h ALA 84 Cb 0.36 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2k0f h ALA 84 CO 0.00 0.81 0.44 0.35 0.00 0.00 0.00 179.25 180.85 2k0f h PHE 85 N 0.19 0.82 -0.89 0.00 3.04 0.26 -3.08 116.94 117.28 2k0f h PHE 85 Ca -0.03 0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.12 2k0f h PHE 85 Cb 1.35 -0.27 -0.11 0.00 2.56 0.00 0.00 35.95 39.49 2k0f h PHE 85 CO 0.04 0.45 0.45 -0.09 -2.02 0.00 0.00 178.31 177.14 2k0f h ARG 86 N 0.85 0.53 -0.40 1.11 2.43 -0.65 -1.79 114.38 116.47 2k0f h ARG 86 Ca 0.30 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 2k0f h ARG 86 Cb 0.06 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.41 2k0f h ARG 86 CO -0.13 0.35 -0.52 0.28 -1.51 0.00 0.00 179.97 178.44 2k0f h VAL 87 N 0.55 0.03 0.12 0.20 2.07 -1.22 -3.35 116.25 114.64 2k0f h VAL 87 Ca 0.52 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.04 2k0f h VAL 87 Cb 0.86 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 87 CO -0.43 0.00 -0.06 -0.26 0.02 0.00 0.00 177.57 176.84 2k0f h PHE 88 N -0.39 -0.15 -1.11 1.57 0.04 -1.37 -3.43 116.94 112.09 2k0f h PHE 88 Ca 0.09 -0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.25 2k0f h PHE 88 Cb 0.60 0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.70 2k0f h PHE 88 CO -0.70 0.31 1.51 0.34 -0.60 0.00 0.00 178.31 179.18 2k0f s ASP 89 N -5.52 6.51 0.30 2.17 2.15 -1.03 -4.81 116.67 116.44 2k0f s ASP 89 Ca -0.14 -1.47 0.05 0.00 0.43 0.00 0.00 52.55 51.41 2k0f s ASP 89 Cb 0.01 -2.57 0.48 0.00 -0.30 0.00 0.00 42.92 40.54 2k0f s ASP 89 CO 0.57 -1.50 1.74 0.50 -0.17 0.00 0.00 175.17 176.31 2k0f h LYS 90 N 9.75 0.38 0.00 4.34 3.64 -1.86 -3.10 116.57 129.72 2k0f h LYS 90 Ca 0.20 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2k0f h LYS 90 Cb 1.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2k0f h LYS 90 CO 1.43 0.63 0.00 -0.40 -2.27 0.00 0.00 179.45 178.84 2k0f n ASP 91 N -4.12 0.00 0.00 4.20 5.68 -1.26 -5.06 116.55 115.99 2k0f n ASP 91 Ca -0.01 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2k0f n ASP 91 Cb 0.41 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N -0.20 0.91 0.10 6.12 0.00 -1.17 -5.06 105.19 105.89 2k0f n GLY 92 Ca 0.00 0.00 -0.14 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 0.18 0.00 1.61 7.08 -1.97 -3.48 115.58 119.00 2k0f h ASN 93 Ca 0.00 -0.37 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 2k0f h ASN 93 Cb 0.00 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 2k0f h ASN 93 CO 0.00 1.33 0.00 0.61 -2.08 0.00 0.00 177.43 177.29 2k0f n GLY 94 N 1.70 1.82 2.78 9.14 0.00 -1.26 -5.12 105.19 114.26 2k0f n GLY 94 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.84 -0.12 -0.39 1.61 2.02 -1.26 -3.78 117.35 113.60 2k0f s TYR 95 Ca 0.00 0.41 -0.15 0.00 -0.37 0.00 0.00 57.07 56.97 2k0f s TYR 95 Cb 0.00 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.22 2k0f s TYR 95 CO 0.00 -0.34 0.32 0.42 -1.57 0.00 0.00 175.55 174.39 2k0f s ILE 96 N 2.27 5.22 0.56 2.71 1.01 -0.59 -4.96 121.20 127.42 2k0f s ILE 96 Ca 0.04 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 2k0f s ILE 96 Cb -0.13 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2k0f s ILE 96 CO -0.07 -0.23 1.03 -0.94 0.00 0.00 0.00 174.94 174.73 2k0f s SER 97 N 1.72 6.14 0.43 3.58 1.04 -1.26 -1.33 113.70 124.02 2k0f s SER 97 Ca 0.08 1.71 0.17 0.00 0.48 0.00 0.00 55.95 58.39 2k0f s SER 97 Cb -0.18 -2.52 1.09 0.00 0.10 0.00 0.00 66.02 64.51 2k0f s SER 97 CO 0.11 -0.92 1.89 0.00 0.98 0.00 0.00 173.24 175.30 2k0f h ALA 98 N 0.64 2.19 -0.32 5.32 0.00 -1.98 -0.22 119.26 124.89 2k0f h ALA 98 Ca -0.47 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 98 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.59 -0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 2k0f h ALA 99 N 1.63 0.46 0.55 0.00 0.00 -1.96 -0.02 119.26 119.91 2k0f h ALA 99 Ca 0.41 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k0f h ALA 99 Cb 1.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k0f h ALA 99 CO -0.14 0.43 -0.26 0.93 0.00 0.00 0.00 179.25 180.21 2k0f h GLU 100 N 0.48 -0.71 -0.40 0.00 5.08 -1.78 -2.29 114.58 114.95 2k0f h GLU 100 Ca 0.06 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2k0f h GLU 100 Cb 0.79 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 2k0f h GLU 100 CO 0.06 -0.42 -0.20 1.25 -1.00 0.00 0.00 179.01 178.71 2k0f h LEU 101 N -0.89 -0.67 -1.21 1.33 5.85 -1.00 -1.17 115.31 117.55 2k0f h LEU 101 Ca -0.08 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2k0f h LEU 101 Cb 0.62 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2k0f h LEU 101 CO 0.12 -0.23 0.32 -0.09 -0.34 0.00 0.00 178.44 178.23 2k0f h ARG 102 N -0.12 0.87 -0.14 1.25 2.43 -1.03 -0.29 114.38 117.35 2k0f h ARG 102 Ca 0.19 -0.10 -0.22 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 102 Cb 0.43 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2k0f h ARG 102 CO -0.48 0.65 -0.80 1.25 -1.51 0.00 0.00 179.97 179.09 2k0f h HIS 103 N 0.87 1.03 0.00 2.20 2.76 -0.72 -0.44 115.15 120.86 2k0f h HIS 103 Ca 0.22 -0.46 -0.05 0.00 -2.20 0.00 0.00 60.37 57.88 2k0f h HIS 103 Cb 0.05 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 2k0f h HIS 103 CO 0.01 1.29 -0.24 0.28 -1.30 0.00 0.00 177.93 177.97 2k0f h VAL 104 N 0.51 0.95 0.00 5.26 2.07 -0.76 0.27 116.25 124.56 2k0f h VAL 104 Ca -0.06 -0.89 -0.18 0.00 0.82 0.00 0.00 66.70 66.39 2k0f h VAL 104 Cb 1.42 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 2k0f h VAL 104 CO 0.16 0.24 -0.84 0.24 0.02 0.00 0.00 177.57 177.38 2k0f h MET 105 N 0.00 0.00 0.50 1.57 2.07 -0.74 -1.08 114.93 117.25 2k0f h MET 105 Ca -0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 2k0f h MET 105 Cb 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 2k0f h MET 105 CO 0.03 0.84 -0.26 1.15 1.07 0.00 0.00 176.91 179.74 2k0f h THR 106 N 0.00 0.46 -0.05 2.22 2.02 -0.77 0.62 112.91 117.41 2k0f h THR 106 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2k0f h THR 106 Cb 1.58 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.39 2k0f h THR 106 CO 0.11 0.00 -0.54 0.78 0.37 0.00 0.00 175.52 176.24 2k0f h ASN 107 N -0.71 -1.67 -0.73 4.18 2.35 -0.41 -3.14 115.58 115.46 2k0f h ASN 107 Ca -0.07 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2k0f h ASN 107 Cb 0.55 0.64 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 2k0f h ASN 107 CO 0.10 -0.51 0.46 -0.07 -1.65 0.00 0.00 177.43 175.76 2k0f h LEU 108 N -0.64 0.86 0.00 1.61 3.38 -1.17 -3.47 115.31 115.89 2k0f h LEU 108 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k0f h LEU 108 Cb 0.71 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k0f h LEU 108 CO -0.39 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.40 2k0f n GLY 109 N -1.23 0.69 3.87 0.83 0.00 -0.05 -4.64 105.19 104.67 2k0f n GLY 109 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.82 -0.48 1.61 2.56 0.01 -4.93 118.70 121.28 2k0f s GLU 110 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 54.97 55.29 2k0f s GLU 110 Cb 0.00 -2.71 0.12 0.00 2.00 0.00 0.00 34.13 33.55 2k0f s GLU 110 CO 0.00 0.35 0.22 0.15 -0.56 0.00 0.00 175.26 175.42 2k0f s LYS 111 N -2.66 1.88 0.17 4.30 -0.14 -1.26 -4.20 119.74 117.83 2k0f s LYS 111 Ca 0.45 -2.46 -0.20 0.00 -1.36 0.00 0.00 55.97 52.41 2k0f s LYS 111 Cb -0.12 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.65 2k0f s LYS 111 CO 0.21 -1.07 0.68 -0.51 -0.76 0.00 0.00 175.35 173.90 2k0f s LEU 112 N -0.02 4.43 0.36 3.17 1.43 -1.26 -5.10 118.68 121.68 2k0f s LEU 112 Ca 0.16 1.39 0.07 0.00 -1.03 0.00 0.00 54.13 54.72 2k0f s LEU 112 Cb -0.24 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2k0f s LEU 112 CO -0.02 0.12 0.36 0.42 0.23 0.00 0.00 176.35 177.46 2k0f s THR 113 N -1.37 3.44 0.07 5.49 -4.23 -1.26 -4.99 115.64 112.79 2k0f s THR 113 Ca 0.38 -1.26 0.24 0.00 -1.18 0.00 0.00 61.69 59.87 2k0f s THR 113 Cb -0.18 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.71 2k0f s THR 113 CO 0.21 -0.13 1.79 0.44 -0.54 0.00 0.00 174.62 176.40 2k0f h ASP 114 N 1.09 0.00 -0.19 3.99 5.19 -1.99 -1.67 116.42 122.84 2k0f h ASP 114 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2k0f h ASP 114 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 2k0f h ASP 114 CO 0.56 0.22 0.12 -0.33 -3.12 0.00 0.00 179.24 176.70 2k0f h GLU 115 N 0.00 0.25 -0.60 3.56 3.07 -1.99 -2.64 114.58 116.23 2k0f h GLU 115 Ca -0.00 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2k0f h GLU 115 Cb 0.80 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2k0f h GLU 115 CO 0.03 0.16 0.01 0.93 -1.40 0.00 0.00 179.01 178.74 2k0f h GLU 116 N 0.25 1.05 -0.09 2.33 5.08 -1.73 -0.86 114.58 120.61 2k0f h GLU 116 Ca 0.07 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2k0f h GLU 116 Cb -0.03 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2k0f h GLU 116 CO -0.01 1.02 -0.16 0.28 -1.00 0.00 0.00 179.01 179.13 2k0f h VAL 117 N 0.96 0.59 -0.31 3.13 2.07 -1.45 -0.77 116.25 120.46 2k0f h VAL 117 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 2k0f h VAL 117 Cb 0.54 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 2k0f h VAL 117 CO 0.03 0.00 -0.17 -0.78 0.02 0.00 0.00 177.57 176.66 2k0f h ASP 118 N -0.22 -0.58 -0.18 0.57 3.58 -1.08 -0.43 116.42 118.08 2k0f h ASP 118 Ca 0.08 0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 2k0f h ASP 118 Cb 0.33 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2k0f h ASP 118 CO -0.22 -0.21 -0.20 -0.08 -2.88 0.00 0.00 179.24 175.66 2k0f h GLU 119 N -0.13 0.61 -0.18 0.28 4.57 -1.15 -1.49 114.58 117.09 2k0f h GLU 119 Ca 0.16 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2k0f h GLU 119 Cb 0.38 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2k0f h GLU 119 CO -0.40 0.77 0.06 1.98 -1.18 0.00 0.00 179.01 180.24 2k0f h MET 120 N 0.54 0.14 0.19 1.92 4.05 -0.71 -2.74 114.93 118.32 2k0f h MET 120 Ca 0.08 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2k0f h MET 120 Cb 0.64 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2k0f h MET 120 CO 0.05 0.09 -0.09 0.82 0.23 0.00 0.00 176.91 178.01 2k0f h ILE 121 N 0.15 0.92 -0.63 1.77 2.04 -0.95 -3.05 117.51 117.75 2k0f h ILE 121 Ca 0.08 -0.62 0.13 0.00 1.00 0.00 0.00 64.86 65.44 2k0f h ILE 121 Cb 0.05 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2k0f h ILE 121 CO -0.08 0.14 0.43 0.03 0.00 0.00 0.00 178.15 178.67 2k0f h ARG 122 N -0.56 0.28 -0.70 2.37 3.08 -1.34 -2.16 114.38 115.34 2k0f h ARG 122 Ca -0.03 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.13 2k0f h ARG 122 Cb 0.42 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 2k0f h ARG 122 CO 0.04 0.18 0.27 1.49 -1.07 0.00 0.00 179.97 180.89 2k0f h GLU 123 N 0.29 0.42 -0.05 0.04 4.81 -1.38 -2.91 114.58 115.81 2k0f h GLU 123 Ca 0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 123 Cb 0.79 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k0f h GLU 123 CO -0.07 0.28 -0.04 0.00 -0.73 0.00 0.00 179.01 178.45 2k0f h ALA 124 N 1.50 0.07 -2.54 2.92 0.00 -1.39 -3.48 119.26 116.33 2k0f h ALA 124 Ca 0.37 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.50 2k0f h ALA 124 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k0f h ALA 124 CO -0.37 -0.16 0.51 0.34 0.00 0.00 0.00 179.25 179.57 2k0f s ASP 125 N -5.80 7.18 -0.19 0.00 -1.08 -0.87 -4.95 116.67 110.96 2k0f s ASP 125 Ca -0.15 2.01 -0.23 0.00 -0.52 0.00 0.00 52.55 53.66 2k0f s ASP 125 Cb 0.03 -2.59 -0.21 0.00 -1.46 0.00 0.00 42.92 38.69 2k0f s ASP 125 CO 0.70 -0.35 0.36 0.40 0.52 0.00 0.00 175.17 176.79 2k0f h ILE 126 N 4.24 1.11 0.10 4.11 2.04 -1.93 -3.39 117.51 123.79 2k0f h ILE 126 Ca -0.43 -2.23 -0.01 0.00 1.00 0.00 0.00 64.86 63.20 2k0f h ILE 126 Cb 1.21 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 2k0f h ILE 126 CO 0.77 0.41 -0.05 0.44 0.00 0.00 0.00 178.15 179.72 2k0f h ASP 127 N -0.94 -0.12 -0.02 1.72 3.32 -1.95 -3.48 116.42 114.95 2k0f h ASP 127 Ca -0.27 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2k0f h ASP 127 Cb 1.28 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2k0f h ASP 127 CO -0.14 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 2k0f n GLY 128 N 0.12 1.65 0.10 2.75 0.00 -1.26 -5.03 105.19 103.51 2k0f n GLY 128 Ca -0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.16 0.39 0.00 1.61 5.75 -1.26 -5.04 116.55 118.16 2k0f n ASP 129 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2k0f n ASP 129 Cb 0.04 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.74 1.10 3.25 6.12 0.00 -1.26 -5.10 105.19 111.04 2k0f n GLY 130 Ca -0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2k0f n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 131 N -0.47 1.39 -0.18 1.61 -2.07 -1.26 -4.34 119.66 114.33 2k0f s GLN 131 Ca 0.00 -0.95 -0.29 0.00 -1.82 0.00 0.00 55.36 52.30 2k0f s GLN 131 Cb 0.00 -1.51 -0.03 0.00 -1.09 0.00 0.00 33.01 30.38 2k0f s GLN 131 CO 0.00 0.38 1.67 0.08 -1.32 0.00 0.00 175.29 176.10 2k0f s VAL 132 N -0.81 3.62 0.50 3.63 1.01 -0.44 -4.89 120.40 123.01 2k0f s VAL 132 Ca 0.07 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 2k0f s VAL 132 Cb -0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2k0f s VAL 132 CO 0.02 -0.22 0.76 0.20 0.00 0.00 0.00 175.10 175.85 2k0f s ASN 133 N 4.29 5.84 0.20 3.32 -0.87 -1.26 -1.54 114.94 124.91 2k0f s ASN 133 Ca 0.74 0.52 -0.11 0.00 -1.57 0.00 0.00 52.86 52.44 2k0f s ASN 133 Cb -0.27 -1.71 0.20 0.00 -0.02 0.00 0.00 41.25 39.44 2k0f s ASN 133 CO 0.30 -0.78 1.79 0.22 -2.57 0.00 0.00 177.10 176.06 2k0f h TYR 134 N 0.20 0.57 -0.97 2.20 3.20 -1.97 0.06 116.97 120.27 2k0f h TYR 134 Ca -0.46 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.56 2k0f h TYR 134 Cb 1.25 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 39.26 2k0f h TYR 134 CO 0.48 0.27 0.59 1.49 -1.64 0.00 0.00 178.16 179.36 2k0f h GLU 135 N 0.59 0.88 0.00 1.82 4.81 -1.94 -2.49 114.58 118.25 2k0f h GLU 135 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 135 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2k0f h GLU 135 CO -0.18 0.58 0.00 0.93 -0.73 0.00 0.00 179.01 179.61 2k0f h GLU 136 N 0.91 0.00 -0.08 1.92 5.08 -1.38 -1.87 114.58 119.15 2k0f h GLU 136 Ca 0.50 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.77 2k0f h GLU 136 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0f h GLU 136 CO -0.29 0.00 -0.28 0.35 -1.00 0.00 0.00 179.01 177.79 2k0f h PHE 137 N 0.00 0.45 -0.00 4.33 3.57 -1.19 -2.96 116.94 121.14 2k0f h PHE 137 Ca 0.00 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.21 2k0f h PHE 137 Cb 0.72 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2k0f h PHE 137 CO 0.00 0.90 -0.51 0.28 -2.23 0.00 0.00 178.31 176.75 2k0f h VAL 138 N -0.13 1.37 -0.52 1.41 2.07 -0.98 -1.78 116.25 117.69 2k0f h VAL 138 Ca -0.01 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 65.78 2k0f h VAL 138 Cb 0.91 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2k0f h VAL 138 CO 0.06 0.50 0.32 -0.61 0.02 0.00 0.00 177.57 177.86 2k0f h GLN 139 N 0.00 0.62 -0.63 1.57 4.15 -1.48 -1.59 115.11 117.76 2k0f h GLN 139 Ca -0.01 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.49 2k0f h GLN 139 Cb 0.90 -0.14 -0.09 0.00 0.21 0.00 0.00 27.48 28.36 2k0f h GLN 139 CO 0.07 0.41 0.17 1.98 -1.93 0.00 0.00 178.83 179.53 2k0f h MET 140 N 0.64 0.30 0.00 1.69 4.05 -1.22 -3.15 114.93 117.25 2k0f h MET 140 Ca 0.20 -0.02 -0.21 0.00 -0.28 0.00 0.00 59.70 59.40 2k0f h MET 140 Cb -0.01 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 2k0f h MET 140 CO -0.08 0.20 -1.00 1.98 0.23 0.00 0.00 176.91 178.25 2k0f h MET 141 N 0.31 0.00 -0.00 0.39 4.05 -0.88 -3.51 114.93 115.28 2k0f h MET 141 Ca 0.33 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 2k0f h MET 141 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2k0f h MET 141 CO -0.39 0.95 0.00 0.25 0.23 0.00 0.00 176.91 177.95