#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 -0.11 0.00 1.09 3.07 -2.07 -2.03 114.58 114.53 2k0f h GLU 2 Ca 0.00 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2k0f h GLU 2 Cb 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2k0f h GLU 2 CO 0.00 -0.07 -0.28 0.93 -1.40 0.00 0.00 179.01 178.19 2k0f h GLU 3 N -0.11 0.00 0.00 2.33 5.08 -2.05 -2.63 114.58 117.20 2k0f h GLU 3 Ca 0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 3 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k0f h GLU 3 CO -0.84 0.28 -0.44 1.96 -1.00 0.00 0.00 179.01 178.98 2k0f h GLN 4 N 0.00 0.00 0.58 2.33 4.20 -1.83 -1.72 115.11 118.66 2k0f h GLN 4 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2k0f h GLN 4 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2k0f h GLN 4 CO 0.04 0.44 -0.28 0.82 -0.67 0.00 0.00 178.83 179.17 2k0f h ILE 5 N 0.00 0.42 -0.26 2.54 1.08 -1.00 -2.70 117.51 117.59 2k0f h ILE 5 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2k0f h ILE 5 Cb 1.06 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2k0f h ILE 5 CO 0.06 0.00 0.09 0.00 -0.69 0.00 0.00 178.15 177.60 2k0f h ALA 6 N -0.35 0.29 -0.15 1.87 0.00 -1.58 -1.89 119.26 117.45 2k0f h ALA 6 Ca -0.08 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k0f h ALA 6 Cb 0.60 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 6 CO 0.13 -0.32 -0.42 1.49 0.00 0.00 0.00 179.25 180.12 2k0f h GLU 7 N 0.20 -0.46 -0.60 0.00 4.81 -1.32 -2.73 114.58 114.48 2k0f h GLU 7 Ca 0.12 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 7 Cb 0.09 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2k0f h GLU 7 CO -0.12 -0.31 0.35 0.35 -0.73 0.00 0.00 179.01 178.55 2k0f h PHE 8 N -0.48 0.65 -0.06 0.92 3.04 -1.38 -3.21 116.94 116.43 2k0f h PHE 8 Ca 0.08 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 2k0f h PHE 8 Cb 0.62 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2k0f h PHE 8 CO -0.50 0.35 -0.34 -0.22 -2.02 0.00 0.00 178.31 175.59 2k0f h LYS 9 N 0.68 0.11 -0.31 1.11 3.64 -1.05 -1.39 116.57 119.36 2k0f h LYS 9 Ca 0.25 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2k0f h LYS 9 Cb 0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2k0f h LYS 9 CO -0.13 0.44 -0.18 1.49 -2.27 0.00 0.00 179.45 178.80 2k0f h GLU 10 N 0.10 0.57 -0.07 1.90 4.81 -1.50 -1.54 114.58 118.85 2k0f h GLU 10 Ca 0.01 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 10 Cb 0.65 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 2k0f h GLU 10 CO 0.05 0.72 -0.07 0.00 -0.73 0.00 0.00 179.01 178.98 2k0f h ALA 11 N 1.30 0.10 -0.05 2.92 0.00 -1.37 -3.08 119.26 119.07 2k0f h ALA 11 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 11 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 11 CO 0.04 -0.09 0.00 0.35 0.00 0.00 0.00 179.25 179.56 2k0f h PHE 12 N -0.27 0.06 0.00 0.00 3.04 -0.96 -2.11 116.94 116.70 2k0f h PHE 12 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2k0f h PHE 12 Cb 0.59 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.08 2k0f h PHE 12 CO 0.09 0.07 0.00 0.43 -2.02 0.00 0.00 178.31 176.88 2k0f n SER 13 N -4.50 0.00 -0.14 0.41 7.64 -0.61 -1.63 113.62 114.79 2k0f n SER 13 Ca -0.02 0.08 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 2k0f n SER 13 Cb 0.11 -0.34 0.07 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.91 0.00 -3.43 3.38 -1.31 -3.38 115.31 111.48 2k0f h LEU 14 Ca 0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2k0f h LEU 14 Cb 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k0f h LEU 14 CO 0.00 1.03 -0.40 -0.26 0.09 0.00 0.00 178.44 178.90 2k0f h PHE 15 N 0.82 0.00 -1.85 1.13 0.04 -1.48 -3.43 116.94 112.17 2k0f h PHE 15 Ca 0.13 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.42 2k0f h PHE 15 Cb 0.63 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2k0f h PHE 15 CO 0.04 0.19 1.34 0.34 -0.60 0.00 0.00 178.31 179.61 2k0f s ASP 16 N -5.81 5.16 0.27 2.17 2.15 -0.64 -4.50 116.67 115.47 2k0f s ASP 16 Ca -0.12 0.35 0.07 0.00 0.43 0.00 0.00 52.55 53.28 2k0f s ASP 16 Cb 0.02 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.48 2k0f s ASP 16 CO 0.21 -2.47 1.63 0.50 -0.17 0.00 0.00 175.17 174.87 2k0f h LYS 17 N 15.23 0.18 0.10 4.34 3.64 -1.83 -3.27 116.57 134.96 2k0f h LYS 17 Ca -0.23 -0.10 -0.35 0.00 -1.27 0.00 0.00 60.65 58.69 2k0f h LYS 17 Cb 1.16 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2k0f h LYS 17 CO 1.21 0.66 -1.95 -0.40 -2.27 0.00 0.00 179.45 176.70 2k0f n ASP 18 N -3.93 1.90 0.00 4.20 5.68 -1.26 -5.04 116.55 118.10 2k0f n ASP 18 Ca -0.02 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2k0f n ASP 18 Cb 0.56 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 1.92 1.80 0.04 6.12 0.00 -1.23 -5.02 105.19 108.82 2k0f n GLY 19 Ca -0.29 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.60 0.00 1.61 5.75 -1.26 -4.98 116.55 118.28 2k0f n ASP 20 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2k0f n ASP 20 Cb 0.00 0.80 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 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 1.33 0.56 3.44 6.12 0.00 -1.26 -5.06 105.19 110.32 2k0f n GLY 21 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 2.97 -0.34 2.61 -4.23 -1.26 -4.22 115.64 109.17 2k0f s THR 22 Ca 0.00 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 2k0f s THR 22 Cb 0.00 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2k0f s THR 22 CO 0.00 0.58 0.20 -0.63 -0.54 0.00 0.00 174.62 174.23 2k0f s ILE 23 N -0.48 4.83 0.81 2.99 1.01 -0.70 -4.81 121.20 124.86 2k0f s ILE 23 Ca 0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 2k0f s ILE 23 Cb -0.12 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.89 2k0f s ILE 23 CO 0.02 -0.06 1.12 0.42 0.00 0.00 0.00 174.94 176.44 2k0f s THR 24 N 1.63 2.75 0.27 2.92 -4.23 -1.26 -3.48 115.64 114.23 2k0f s THR 24 Ca 0.04 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2k0f s THR 24 Cb -0.18 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2k0f s THR 24 CO 0.08 -0.32 1.65 0.71 -0.54 0.00 0.00 174.62 176.20 2k0f h THR 25 N -1.09 0.36 0.22 3.99 1.35 -1.97 -2.56 112.91 113.19 2k0f h THR 25 Ca -0.47 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 2k0f h THR 25 Cb 1.29 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2k0f h THR 25 CO 0.62 0.03 -0.10 0.11 -0.25 0.00 0.00 175.52 175.93 2k0f h LYS 26 N 0.18 -0.28 -0.57 4.72 1.57 -1.97 0.87 116.57 121.10 2k0f h LYS 26 Ca 0.48 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2k0f h LYS 26 Cb 0.91 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 2k0f h LYS 26 CO -0.64 -0.17 0.33 0.93 -0.57 0.00 0.00 179.45 179.34 2k0f h GLU 27 N -0.31 0.77 -0.06 3.15 5.08 -1.81 0.33 114.58 121.72 2k0f h GLU 27 Ca -0.03 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 2k0f h GLU 27 Cb 0.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 27 CO 0.05 0.55 -0.84 1.25 -1.00 0.00 0.00 179.01 179.01 2k0f h LEU 28 N 0.79 0.64 -0.34 1.33 5.85 -1.49 -3.19 115.31 118.90 2k0f h LEU 28 Ca 0.21 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2k0f h LEU 28 Cb -0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2k0f h LEU 28 CO -0.04 1.24 0.16 1.23 -0.34 0.00 0.00 178.44 180.69 2k0f h GLY 29 N 1.03 0.52 1.01 3.75 0.00 -0.32 -3.27 103.07 105.80 2k0f h GLY 29 Ca -0.06 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 2k0f h GLY 29 CO 0.15 0.25 -0.14 -0.84 0.00 0.00 0.00 176.54 175.97 2k0f h THR 30 N 0.41 1.28 0.02 4.70 2.02 -0.44 -1.57 112.91 119.33 2k0f h THR 30 Ca 0.12 -1.26 0.03 0.00 0.77 0.00 0.00 66.41 66.07 2k0f h THR 30 Cb 0.13 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 2k0f h THR 30 CO -0.01 0.42 -0.30 0.58 0.37 0.00 0.00 175.52 176.58 2k0f h VAL 31 N 0.65 0.33 -0.62 3.16 2.07 -1.65 0.34 116.25 120.53 2k0f h VAL 31 Ca 0.10 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2k0f h VAL 31 Cb 0.68 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2k0f h VAL 31 CO 0.05 0.00 0.14 0.24 0.02 0.00 0.00 177.57 178.02 2k0f h MET 32 N -0.47 1.00 -0.15 1.57 2.86 -1.59 -1.99 114.93 116.17 2k0f h MET 32 Ca 0.06 -0.25 -0.12 0.00 -2.06 0.00 0.00 59.70 57.33 2k0f h MET 32 Cb 0.54 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2k0f h MET 32 CO -0.24 0.92 -0.44 -0.09 1.06 0.00 0.00 176.91 178.12 2k0f h ARG 33 N 0.92 0.35 -0.24 1.72 2.43 -0.88 0.32 114.38 119.00 2k0f h ARG 33 Ca 0.19 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 33 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2k0f h ARG 33 CO 0.00 0.72 -0.01 0.77 -1.51 0.00 0.00 179.97 179.95 2k0f h SER 34 N 0.28 0.32 0.01 -3.80 0.02 -0.17 -2.87 113.55 107.35 2k0f h SER 34 Ca 0.02 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 34 Cb 0.89 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2k0f h SER 34 CO 0.07 0.39 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.08 2k0f h LEU 35 N 0.34 -0.02 0.00 5.07 3.38 -0.81 -3.47 115.31 119.81 2k0f h LEU 35 Ca 0.08 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2k0f h LEU 35 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k0f h LEU 35 CO 0.01 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2k0f n GLY 36 N 0.97 -0.56 3.90 0.83 0.00 0.11 -5.05 105.19 105.39 2k0f n GLY 36 Ca -0.09 0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N 0.00 3.60 -0.42 1.61 -1.52 -1.12 -4.79 119.66 117.02 2k0f s GLN 37 Ca 0.00 0.30 -0.09 0.00 -1.95 0.00 0.00 55.36 53.62 2k0f s GLN 37 Cb 0.00 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.50 2k0f s GLN 37 CO 0.00 -0.18 0.25 1.21 -0.25 0.00 0.00 175.29 176.32 2k0f s ASN 38 N -3.88 5.62 0.82 5.90 2.47 -1.26 -2.33 114.94 122.28 2k0f s ASN 38 Ca 0.49 -1.50 -0.12 0.00 0.42 0.00 0.00 52.86 52.15 2k0f s ASN 38 Cb -0.10 -1.98 0.09 0.00 -1.45 0.00 0.00 41.25 37.80 2k0f s ASN 38 CO 0.42 -0.53 1.16 -2.16 -3.72 0.00 0.00 177.10 172.27 2k0f s PRO 39 N 1.42 1.88 0.04 0.43 0.04 -1.26 -5.06 135.00 132.50 2k0f s PRO 39 Ca 0.03 0.21 0.09 0.00 0.04 0.00 0.00 61.00 61.37 2k0f s PRO 39 Cb -0.23 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2k0f s PRO 39 CO 0.02 -1.67 -0.26 -0.08 0.04 0.00 0.00 177.00 175.05 2k0f s THR 40 N -3.47 2.14 0.33 1.26 -1.32 -1.26 -5.03 115.64 108.29 2k0f s THR 40 Ca 0.62 -1.38 0.06 0.00 -1.21 0.00 0.00 61.69 59.78 2k0f s THR 40 Cb -0.12 -1.83 0.11 0.00 -1.51 0.00 0.00 72.50 69.16 2k0f s THR 40 CO 0.50 0.37 1.82 -0.33 -2.21 0.00 0.00 174.62 174.78 2k0f h GLU 41 N 4.81 0.34 0.00 7.08 5.08 -1.99 -2.52 114.58 127.39 2k0f h GLU 41 Ca -0.46 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2k0f h GLU 41 Cb 1.14 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k0f h GLU 41 CO 0.44 0.53 -0.11 0.00 -1.00 0.00 0.00 179.01 178.86 2k0f h ALA 42 N 1.49 1.64 0.00 3.43 0.00 -1.99 -1.63 119.26 122.20 2k0f h ALA 42 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 2k0f h ALA 42 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k0f h ALA 42 CO 0.03 0.14 -1.92 -1.91 0.00 0.00 0.00 179.25 175.59 2k0f n GLU 43 N -4.15 0.65 -0.09 0.00 2.13 -1.15 -3.82 120.64 114.21 2k0f n GLU 43 Ca -0.02 0.15 -0.07 0.00 0.66 0.00 0.00 57.16 57.88 2k0f n GLU 43 Cb 0.19 -1.68 0.11 0.00 0.27 0.00 0.00 31.44 30.33 2k0f n GLU 43 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2k0f h LEU 44 N 0.00 0.78 -2.35 4.31 3.38 -1.31 -2.94 115.31 117.17 2k0f h LEU 44 Ca -0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2k0f h LEU 44 Cb 1.99 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 2k0f h LEU 44 CO 0.05 0.93 -0.04 -0.61 0.09 0.00 0.00 178.44 178.87 2k0f h GLN 45 N 0.70 0.00 0.82 1.13 5.75 -1.43 -1.71 115.11 120.36 2k0f h GLN 45 Ca 0.11 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2k0f h GLN 45 Cb 0.64 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.20 2k0f h GLN 45 CO 0.04 0.04 -0.39 0.22 -2.65 0.00 0.00 178.83 176.09 2k0f h ASP 46 N 0.00 -0.93 0.39 -0.69 3.58 -1.62 -1.49 116.42 115.66 2k0f h ASP 46 Ca -0.00 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 2k0f h ASP 46 Cb 0.11 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2k0f h ASP 46 CO 0.00 -0.60 -0.38 0.24 -2.88 0.00 0.00 179.24 175.62 2k0f h MET 47 N -1.21 0.00 -0.06 0.28 2.86 -1.53 -0.69 114.93 114.58 2k0f h MET 47 Ca -0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2k0f h MET 47 Cb 0.85 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 2k0f h MET 47 CO 0.18 0.38 -0.01 0.82 1.06 0.00 0.00 176.91 179.34 2k0f h ILE 48 N 0.00 1.29 0.00 -1.22 2.04 -1.37 -3.24 117.51 115.01 2k0f h ILE 48 Ca -0.00 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 2k0f h ILE 48 Cb 0.68 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 2k0f h ILE 48 CO 0.05 0.24 -0.25 0.78 0.00 0.00 0.00 178.15 178.97 2k0f h ASN 49 N -0.23 0.00 -0.47 1.72 2.35 -0.73 0.75 115.58 118.97 2k0f h ASN 49 Ca 0.01 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2k0f h ASN 49 Cb 0.39 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 2k0f h ASN 49 CO 0.01 0.25 -0.36 -0.08 -1.65 0.00 0.00 177.43 175.60 2k0f h GLU 50 N 0.00 -0.23 -0.01 0.81 4.81 -1.16 -3.07 114.58 115.73 2k0f h GLU 50 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k0f h GLU 50 Cb 0.50 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2k0f h GLU 50 CO 0.03 -0.15 -0.33 1.33 -0.73 0.00 0.00 179.01 179.16 2k0f n VAL 51 N -5.42 0.00 -1.87 0.32 0.24 -1.00 -4.92 118.33 105.68 2k0f n VAL 51 Ca 0.02 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2k0f n VAL 51 Cb 0.35 1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 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 -2.02 5.58 -0.05 -1.34 2.15 0.22 -4.84 116.67 116.37 2k0f s ASP 52 Ca 0.16 1.31 0.17 0.00 0.43 0.00 0.00 52.55 54.61 2k0f s ASP 52 Cb 0.15 -2.52 -0.21 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 52 CO 0.43 -1.96 0.54 0.00 -0.17 0.00 0.00 175.17 174.01 2k0f n ALA 53 N 11.42 1.78 -0.07 3.66 0.00 -1.26 -4.61 120.51 131.43 2k0f n ALA 53 Ca 0.25 -0.82 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 2k0f n ALA 53 Cb 0.48 -0.69 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N 0.00 0.00 0.00 0.00 3.04 -1.95 -3.49 116.42 114.02 2k0f h ASP 54 Ca -0.29 -0.34 0.00 0.00 -3.24 0.00 0.00 57.03 53.16 2k0f h ASP 54 Cb 1.83 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.12 2k0f h ASP 54 CO 0.05 0.93 0.00 0.61 -2.04 0.00 0.00 179.24 178.79 2k0f n GLY 55 N 1.61 1.97 0.10 7.15 0.00 -1.26 -5.03 105.19 109.73 2k0f n GLY 55 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.77 0.00 1.61 0.23 -1.26 -5.00 115.26 111.61 2k0f n ASN 56 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 2k0f n ASN 56 Cb 0.00 0.54 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 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 1.23 0.87 3.00 4.83 0.00 -1.26 -5.07 105.19 108.79 2k0f n GLY 57 Ca -0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.24 -0.16 2.61 -4.23 -1.26 -4.92 115.64 105.92 2k0f s THR 58 Ca 0.00 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 2k0f s THR 58 Cb 0.00 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 2k0f s THR 58 CO 0.00 -0.44 0.86 -0.51 -0.54 0.00 0.00 174.62 173.99 2k0f s ILE 59 N -1.37 4.86 0.55 2.99 2.07 -1.23 -4.91 121.20 124.16 2k0f s ILE 59 Ca -0.13 1.70 0.04 0.00 -1.41 0.00 0.00 60.65 60.85 2k0f s ILE 59 Cb -0.10 -4.17 0.06 0.00 0.13 0.00 0.00 42.46 38.38 2k0f s ILE 59 CO -0.01 0.02 0.76 -1.81 -1.91 0.00 0.00 174.94 171.99 2k0f s ASP 60 N 1.15 5.17 0.14 4.50 1.11 -1.26 -1.72 116.67 125.77 2k0f s ASP 60 Ca 0.40 -0.36 -0.28 0.00 0.18 0.00 0.00 52.55 52.48 2k0f s ASP 60 Cb -0.17 -0.41 -0.03 0.00 1.07 0.00 0.00 42.92 43.39 2k0f s ASP 60 CO 0.13 -1.21 1.58 0.15 1.18 0.00 0.00 175.17 176.99 2k0f h PHE 61 N 0.14 -1.26 -0.13 4.23 3.04 -1.96 -0.32 116.94 120.68 2k0f h PHE 61 Ca -0.38 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2k0f h PHE 61 Cb 1.28 0.60 0.00 0.00 2.56 0.00 0.00 35.95 40.39 2k0f h PHE 61 CO 0.28 -0.46 0.00 -0.35 -2.02 0.00 0.00 178.31 175.77 2k0f n PRO 62 N -5.42 1.53 -0.10 6.41 -0.04 -1.26 -1.90 135.00 134.23 2k0f n PRO 62 Ca -0.02 -0.80 -0.19 0.00 -0.04 0.00 0.00 63.50 62.45 2k0f n PRO 62 Cb 0.35 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 2k0f n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k0f n GLU 63 N 0.03 0.68 -0.31 0.54 1.02 -0.98 -3.51 120.64 118.11 2k0f n GLU 63 Ca 0.15 0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.53 2k0f n GLU 63 Cb 0.25 -1.57 0.27 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.00 1.02 -0.78 -0.32 3.04 -0.96 -0.29 116.94 118.64 2k0f h PHE 64 Ca -0.54 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.40 2k0f h PHE 64 Cb 1.92 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 40.07 2k0f h PHE 64 CO 0.04 0.46 0.35 -0.07 -2.02 0.00 0.00 178.31 177.08 2k0f h LEU 65 N 0.94 1.05 -0.78 0.59 3.38 -1.54 -2.48 115.31 116.47 2k0f h LEU 65 Ca 0.43 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 2k0f h LEU 65 Cb 0.40 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2k0f h LEU 65 CO -0.19 0.91 -0.46 0.74 0.09 0.00 0.00 178.44 179.53 2k0f h THR 66 N 1.12 1.01 -0.03 0.22 2.02 -1.15 0.20 112.91 116.29 2k0f h THR 66 Ca 0.27 -1.77 -0.14 0.00 0.77 0.00 0.00 66.41 65.54 2k0f h THR 66 Cb 0.16 2.05 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2k0f h THR 66 CO -0.03 0.45 -0.53 -0.03 0.37 0.00 0.00 175.52 175.75 2k0f h MET 67 N 0.00 0.42 0.00 6.66 -1.53 -0.97 -2.76 114.93 116.75 2k0f h MET 67 Ca -0.00 -0.41 0.00 0.00 -3.44 0.00 0.00 59.70 55.85 2k0f h MET 67 Cb 1.01 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 32.17 2k0f h MET 67 CO 0.06 1.06 0.00 0.52 0.14 0.00 0.00 176.91 178.69 2k0f h MET 68 N -0.07 0.00 0.00 0.39 2.07 -1.29 -3.18 114.93 112.85 2k0f h MET 68 Ca -0.06 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 2k0f h MET 68 Cb 1.22 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.95 2k0f h MET 68 CO 0.11 0.00 -0.08 0.00 1.07 0.00 0.00 176.91 178.01 2k0f h ALA 69 N 2.04 0.97 -2.27 6.32 0.00 -0.65 -3.46 119.26 122.20 2k0f h ALA 69 Ca 0.00 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 69 Cb 0.41 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.22 2k0f h ALA 69 CO 0.00 0.10 0.06 1.03 0.00 0.00 0.00 179.25 180.44 2k0f s ARG 70 N -3.37 3.41 -0.02 0.00 0.52 -1.20 -5.09 118.95 113.21 2k0f s ARG 70 Ca 0.04 0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.26 2k0f s ARG 70 Cb 0.07 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.13 2k0f s ARG 70 CO 0.64 -0.23 0.09 0.21 0.02 0.00 0.00 175.30 176.03 2k0f s LYS 71 N -4.71 0.22 0.00 3.54 2.20 -1.26 -5.06 119.74 114.67 2k0f s LYS 71 Ca 0.47 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2k0f s LYS 71 Cb -0.10 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 2k0f s LYS 71 CO 0.43 -0.04 0.00 -0.12 -0.36 0.00 0.00 175.35 175.26 2k0f n MET 72 N 2.49 0.00 -4.01 4.03 0.00 -1.26 -5.10 117.12 113.27 2k0f n MET 72 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.70 57.29 2k0f n MET 72 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.76 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 0.18 3.20 0.43 2.12 1.02 -1.26 -4.99 119.74 120.43 2k0f s LYS 73 Ca 0.00 -0.75 0.27 0.00 0.02 0.00 0.00 55.97 55.51 2k0f s LYS 73 Cb 0.00 -2.81 0.80 0.00 -0.52 0.00 0.00 37.83 35.30 2k0f s LYS 73 CO 0.00 0.49 1.76 -0.44 -0.92 0.00 0.00 175.35 176.24 2k0f h ASP 74 N 2.08 0.00 -0.04 2.83 5.19 -1.99 -0.80 116.42 123.70 2k0f h ASP 74 Ca -0.49 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 2k0f h ASP 74 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2k0f h ASP 74 CO 0.65 0.00 -0.15 0.71 -3.12 0.00 0.00 179.24 177.33 2k0f h THR 75 N 0.00 1.46 0.08 0.35 1.35 -1.98 -1.74 112.91 112.43 2k0f h THR 75 Ca 0.00 -1.58 0.02 0.00 -0.55 0.00 0.00 66.41 64.30 2k0f h THR 75 Cb 0.75 2.39 -0.05 0.00 -1.73 0.00 0.00 68.15 69.50 2k0f h THR 75 CO 0.00 0.43 -0.44 -0.78 -0.25 0.00 0.00 175.52 174.48 2k0f h ASP 76 N -0.38 -1.33 -0.14 5.36 3.58 -1.95 -1.08 116.42 120.47 2k0f h ASP 76 Ca -0.01 0.15 0.04 0.00 0.42 0.00 0.00 57.03 57.63 2k0f h ASP 76 Cb 0.78 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2k0f h ASP 76 CO 0.03 -0.50 0.10 0.77 -2.88 0.00 0.00 179.24 176.76 2k0f h SER 77 N -0.65 0.02 0.78 2.28 4.64 -1.15 -0.12 113.55 119.35 2k0f h SER 77 Ca 0.03 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 2k0f h SER 77 Cb 0.69 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2k0f h SER 77 CO -0.28 0.01 -0.49 -0.08 -0.87 0.00 0.00 176.83 175.12 2k0f h GLU 78 N 0.02 0.00 -0.13 4.77 4.22 -0.94 -2.49 114.58 120.03 2k0f h GLU 78 Ca 0.06 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.34 2k0f h GLU 78 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 78 CO -0.00 0.49 -0.61 1.49 -2.18 0.00 0.00 179.01 178.19 2k0f h GLU 79 N 0.00 0.45 -0.44 1.92 4.57 0.24 -2.76 114.58 118.57 2k0f h GLU 79 Ca -0.00 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 2k0f h GLU 79 Cb 1.01 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 2k0f h GLU 79 CO 0.06 0.93 0.11 1.49 -1.18 0.00 0.00 179.01 180.42 2k0f h GLU 80 N 0.34 0.70 -0.44 1.92 4.81 -0.96 0.16 114.58 121.10 2k0f h GLU 80 Ca -0.01 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2k0f h GLU 80 Cb 1.16 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2k0f h GLU 80 CO 0.11 0.70 -0.03 0.82 -0.73 0.00 0.00 179.01 179.87 2k0f h ILE 81 N 0.57 1.27 -0.04 2.32 2.04 -1.53 0.73 117.51 122.87 2k0f h ILE 81 Ca 0.14 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 2k0f h ILE 81 Cb 0.31 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2k0f h ILE 81 CO 0.00 0.38 -0.30 -0.09 0.00 0.00 0.00 178.15 178.14 2k0f h ARG 82 N 0.64 0.07 -0.47 2.37 2.43 -1.35 -0.91 114.38 117.16 2k0f h ARG 82 Ca 0.12 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 82 Cb 0.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2k0f h ARG 82 CO 0.03 0.37 -0.17 0.93 -1.51 0.00 0.00 179.97 179.62 2k0f h GLU 83 N 0.06 0.90 -0.50 0.20 4.39 -0.54 -1.72 114.58 117.38 2k0f h GLU 83 Ca 0.01 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 2k0f h GLU 83 Cb 0.56 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2k0f h GLU 83 CO 0.04 1.00 0.06 0.00 -1.16 0.00 0.00 179.01 178.95 2k0f h ALA 84 N 1.01 1.18 -0.41 3.43 0.00 -0.52 -1.92 119.26 122.03 2k0f h ALA 84 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2k0f h ALA 84 Cb 0.71 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k0f h ALA 84 CO 0.05 0.54 -0.13 0.35 0.00 0.00 0.00 179.25 180.07 2k0f h PHE 85 N 0.75 0.93 0.00 0.00 3.04 -1.16 -3.30 116.94 117.20 2k0f h PHE 85 Ca 0.16 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 2k0f h PHE 85 Cb 0.36 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 2k0f h PHE 85 CO 0.02 0.95 -0.12 -0.09 -2.02 0.00 0.00 178.31 177.05 2k0f h ARG 86 N 0.64 0.00 -0.48 1.11 2.43 -0.56 -1.02 114.38 116.50 2k0f h ARG 86 Ca 0.10 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2k0f h ARG 86 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2k0f h ARG 86 CO 0.05 0.12 0.34 0.28 -1.51 0.00 0.00 179.97 179.25 2k0f h VAL 87 N 0.00 0.77 0.01 0.20 2.07 -1.48 -3.17 116.25 114.64 2k0f h VAL 87 Ca -0.00 -0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.13 2k0f h VAL 87 Cb 0.38 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2k0f h VAL 87 CO 0.02 0.00 -2.16 0.49 0.02 0.00 0.00 177.57 175.94 2k0f n PHE 88 N -4.40 0.36 -1.98 1.57 3.72 -0.42 -4.78 117.46 111.52 2k0f n PHE 88 Ca 0.08 0.14 -0.34 0.00 -0.05 0.00 0.00 57.45 57.28 2k0f n PHE 88 Cb 0.55 -1.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.01 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 -7.19 5.12 0.00 4.37 2.15 -1.00 -4.79 116.67 115.32 2k0f s ASP 89 Ca -0.35 0.13 -0.19 0.00 0.43 0.00 0.00 52.55 52.58 2k0f s ASP 89 Cb 0.11 -2.54 -0.31 0.00 -0.30 0.00 0.00 42.92 39.89 2k0f s ASP 89 CO 0.55 -2.57 1.00 0.50 -0.17 0.00 0.00 175.17 174.48 2k0f h LYS 90 N 14.35 0.45 0.16 4.34 3.64 -1.86 -3.32 116.57 134.32 2k0f h LYS 90 Ca -0.16 -0.67 -0.21 0.00 -1.27 0.00 0.00 60.65 58.34 2k0f h LYS 90 Cb 1.13 0.23 0.02 0.00 -0.41 0.00 0.00 32.23 33.20 2k0f h LYS 90 CO 1.20 1.30 -0.93 0.38 -2.27 0.00 0.00 179.45 179.13 2k0f h ASP 91 N -0.07 0.53 -1.36 4.20 2.03 -1.95 -3.49 116.42 116.31 2k0f h ASP 91 Ca -0.17 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 55.18 2k0f h ASP 91 Cb 1.77 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.09 2k0f h ASP 91 CO 0.19 1.45 0.00 0.61 -1.03 0.00 0.00 179.24 180.46 2k0f n GLY 92 N 1.68 0.82 0.51 7.15 0.00 -1.25 -5.03 105.19 109.06 2k0f n GLY 92 Ca -0.14 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.68 2.10 0.00 1.61 0.23 -1.26 -4.98 115.26 112.28 2k0f n ASN 93 Ca 0.00 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 2k0f n ASN 93 Cb 0.24 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 0.69 0.55 2.93 4.83 0.00 -1.26 -5.06 105.19 107.88 2k0f n GLY 94 Ca 0.08 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.27 -0.38 1.61 1.51 -1.26 -4.33 117.35 112.76 2k0f s TYR 95 Ca 0.00 -0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 2k0f s TYR 95 Cb 0.00 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 2k0f s TYR 95 CO 0.00 -0.02 0.25 0.42 -1.11 0.00 0.00 175.55 175.08 2k0f s ILE 96 N -0.27 4.94 0.57 2.71 1.01 -0.92 -4.74 121.20 124.51 2k0f s ILE 96 Ca -0.01 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2k0f s ILE 96 Cb -0.02 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2k0f s ILE 96 CO -0.00 -0.22 0.97 -0.44 0.00 0.00 0.00 174.94 175.25 2k0f s SER 97 N 1.63 6.31 0.32 3.58 0.01 -1.26 -1.34 113.70 122.95 2k0f s SER 97 Ca 0.04 1.36 0.04 0.00 1.31 0.00 0.00 55.95 58.69 2k0f s SER 97 Cb -0.19 -2.44 0.64 0.00 0.21 0.00 0.00 66.02 64.25 2k0f s SER 97 CO 0.08 -0.76 1.89 0.00 0.41 0.00 0.00 173.24 174.87 2k0f h ALA 98 N 0.03 1.63 -0.66 1.44 0.00 -1.98 -0.40 119.26 119.32 2k0f h ALA 98 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k0f h ALA 98 Cb 1.19 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2k0f h ALA 98 CO 0.62 0.19 0.44 0.00 0.00 0.00 0.00 179.25 180.50 2k0f h ALA 99 N 1.55 1.57 -0.01 0.00 0.00 -1.95 -1.38 119.26 119.04 2k0f h ALA 99 Ca 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2k0f h ALA 99 Cb 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k0f h ALA 99 CO -0.18 0.38 -0.04 0.93 0.00 0.00 0.00 179.25 180.35 2k0f h GLU 100 N 0.86 0.05 -0.78 0.00 5.08 -1.43 -1.70 114.58 116.66 2k0f h GLU 100 Ca 0.25 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2k0f h GLU 100 Cb -0.04 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2k0f h GLU 100 CO -0.06 0.64 0.47 1.25 -1.00 0.00 0.00 179.01 180.31 2k0f h LEU 101 N -0.53 0.75 -0.10 1.33 5.85 -1.07 -1.03 115.31 120.51 2k0f h LEU 101 Ca -0.00 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.51 2k0f h LEU 101 Cb 0.64 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2k0f h LEU 101 CO 0.01 0.49 -1.00 -0.09 -0.34 0.00 0.00 178.44 177.51 2k0f h ARG 102 N 0.88 0.15 -0.39 1.25 2.43 -1.25 -2.42 114.38 115.04 2k0f h ARG 102 Ca 0.33 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2k0f h ARG 102 Cb 0.12 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2k0f h ARG 102 CO -0.16 1.03 -0.18 1.25 -1.51 0.00 0.00 179.97 180.40 2k0f h HIS 103 N 0.06 0.93 0.12 2.20 2.76 -0.74 0.13 115.15 120.61 2k0f h HIS 103 Ca -0.06 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 2k0f h HIS 103 Cb 1.70 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 2k0f h HIS 103 CO 0.03 0.98 -0.13 0.28 -1.30 0.00 0.00 177.93 177.79 2k0f h VAL 104 N 0.61 0.72 -0.35 5.26 2.07 -1.24 -2.12 116.25 121.18 2k0f h VAL 104 Ca 0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2k0f h VAL 104 Cb 0.73 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2k0f h VAL 104 CO 0.06 0.00 0.13 0.24 0.02 0.00 0.00 177.57 178.01 2k0f h MET 105 N -0.28 0.27 -0.77 1.57 2.07 -1.09 -1.98 114.93 114.73 2k0f h MET 105 Ca 0.01 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.68 2k0f h MET 105 Cb 0.27 -0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 29.88 2k0f h MET 105 CO -0.04 0.18 0.45 1.15 1.07 0.00 0.00 176.91 179.73 2k0f h THR 106 N 0.28 1.00 0.00 2.22 2.02 -0.50 0.55 112.91 118.48 2k0f h THR 106 Ca 0.16 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2k0f h THR 106 Cb 0.13 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2k0f h THR 106 CO -0.16 0.15 0.00 0.78 0.37 0.00 0.00 175.52 176.66 2k0f h ASN 107 N 0.83 0.00 0.32 4.18 2.35 -1.16 -3.19 115.58 118.91 2k0f h ASN 107 Ca 0.34 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 2k0f h ASN 107 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2k0f h ASN 107 CO -0.18 0.00 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.38 2k0f h LEU 108 N 0.00 -0.36 0.00 1.61 3.38 -1.10 -3.44 115.31 115.40 2k0f h LEU 108 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k0f h LEU 108 Cb 0.93 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2k0f h LEU 108 CO 0.00 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.90 2k0f n GLY 109 N -1.20 0.00 3.08 0.83 0.00 -0.42 -4.92 105.19 102.56 2k0f n GLY 109 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 2.39 -0.65 1.61 2.56 0.05 -4.99 118.70 119.67 2k0f s GLU 110 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.97 54.27 2k0f s GLU 110 Cb 0.00 -2.01 0.17 0.00 2.00 0.00 0.00 34.13 34.29 2k0f s GLU 110 CO 0.00 -0.06 0.51 0.15 -0.56 0.00 0.00 175.26 175.30 2k0f s LYS 111 N 0.97 2.85 -0.41 4.30 1.02 -1.26 -2.61 119.74 124.59 2k0f s LYS 111 Ca -0.06 -2.34 -0.24 0.00 0.02 0.00 0.00 55.97 53.35 2k0f s LYS 111 Cb -0.15 -3.98 0.02 0.00 -0.52 0.00 0.00 37.83 33.20 2k0f s LYS 111 CO -0.02 -1.21 0.85 -0.51 -0.92 0.00 0.00 175.35 173.53 2k0f s LEU 112 N 0.32 4.10 1.15 3.17 1.43 -1.26 -5.03 118.68 122.57 2k0f s LEU 112 Ca 0.15 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 2k0f s LEU 112 Cb -0.19 -3.09 0.26 0.00 0.03 0.00 0.00 46.19 43.20 2k0f s LEU 112 CO -0.04 -0.89 1.06 0.42 0.23 0.00 0.00 176.35 177.12 2k0f s THR 113 N 3.40 1.79 -0.47 5.49 -4.23 -1.26 -4.83 115.64 115.53 2k0f s THR 113 Ca 0.34 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.08 2k0f s THR 113 Cb -0.12 -2.34 0.24 0.00 1.34 0.00 0.00 72.50 71.62 2k0f s THR 113 CO 0.21 0.00 1.50 0.44 -0.54 0.00 0.00 174.62 176.23 2k0f h ASP 114 N -2.47 0.00 0.12 3.99 5.19 -1.98 -0.74 116.42 120.52 2k0f h ASP 114 Ca -0.53 -0.02 0.02 0.00 -0.62 0.00 0.00 57.03 55.88 2k0f h ASP 114 Cb 1.33 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 114 CO 0.46 0.01 -0.49 -0.33 -3.12 0.00 0.00 179.24 175.77 2k0f h GLU 115 N 0.00 -0.70 -0.77 3.56 5.08 -1.99 -2.16 114.58 117.60 2k0f h GLU 115 Ca 0.00 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 115 Cb 0.93 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2k0f h GLU 115 CO 0.00 -0.46 0.32 0.93 -1.00 0.00 0.00 179.01 178.80 2k0f h GLU 116 N -0.72 1.15 -0.12 2.33 4.39 -1.61 0.11 114.58 120.11 2k0f h GLU 116 Ca 0.01 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 116 Cb 0.74 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2k0f h GLU 116 CO -0.28 0.92 -0.07 0.28 -1.16 0.00 0.00 179.01 178.71 2k0f h VAL 117 N 1.11 0.79 0.03 3.13 2.07 -1.22 -1.21 116.25 120.95 2k0f h VAL 117 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 2k0f h VAL 117 Cb 0.20 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k0f h VAL 117 CO -0.02 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.77 2k0f h ASP 118 N -0.06 -0.03 -0.48 0.57 3.58 -1.15 -2.69 116.42 116.16 2k0f h ASP 118 Ca 0.07 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2k0f h ASP 118 Cb 0.16 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2k0f h ASP 118 CO -0.16 0.04 0.30 -0.08 -2.88 0.00 0.00 179.24 176.47 2k0f h GLU 119 N -0.09 0.65 -0.06 0.28 4.81 -0.70 -0.33 114.58 119.13 2k0f h GLU 119 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2k0f h GLU 119 Cb 0.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2k0f h GLU 119 CO 0.01 0.45 -0.09 1.98 -0.73 0.00 0.00 179.01 180.62 2k0f h MET 120 N 0.66 0.17 0.02 1.92 4.05 -1.26 -3.30 114.93 117.20 2k0f h MET 120 Ca 0.18 -0.10 -0.20 0.00 -0.28 0.00 0.00 59.70 59.30 2k0f h MET 120 Cb -0.04 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 2k0f h MET 120 CO -0.04 0.65 -0.93 0.82 0.23 0.00 0.00 176.91 177.64 2k0f h ILE 121 N -0.30 1.58 -0.38 1.77 2.04 -1.34 -3.21 117.51 117.66 2k0f h ILE 121 Ca 0.01 -2.93 0.04 0.00 1.00 0.00 0.00 64.86 62.98 2k0f h ILE 121 Cb 0.63 2.63 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 2k0f h ILE 121 CO 0.02 0.84 0.15 -0.09 0.00 0.00 0.00 178.15 179.08 2k0f h ARG 122 N 0.04 0.31 0.00 2.37 2.43 -1.19 0.63 114.38 118.97 2k0f h ARG 122 Ca -0.04 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2k0f h ARG 122 Cb 1.61 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 2k0f h ARG 122 CO 0.13 0.20 -0.17 1.05 -1.51 0.00 0.00 179.97 179.68 2k0f h GLU 123 N 0.32 0.00 0.00 0.20 4.11 -1.66 -3.37 114.58 114.18 2k0f h GLU 123 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2k0f h GLU 123 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.16 0.17 -0.06 0.00 0.07 0.00 0.00 179.01 179.03 2k0f h ALA 124 N 1.83 0.00 -2.31 1.06 0.00 -1.25 -3.48 119.26 115.10 2k0f h ALA 124 Ca -0.00 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.22 2k0f h ALA 124 Cb 0.54 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2k0f h ALA 124 CO 0.02 0.06 0.43 0.34 0.00 0.00 0.00 179.25 180.10 2k0f s ASP 125 N -4.32 6.81 0.06 0.00 -1.08 0.10 -4.91 116.67 113.33 2k0f s ASP 125 Ca -0.02 1.01 0.27 0.00 -0.52 0.00 0.00 52.55 53.29 2k0f s ASP 125 Cb 0.00 -2.43 0.86 0.00 -1.46 0.00 0.00 42.92 39.89 2k0f s ASP 125 CO 0.03 -0.49 1.70 -0.38 0.52 0.00 0.00 175.17 176.54 2k0f n ILE 126 N 5.21 0.18 0.03 4.11 5.41 -1.26 -3.20 119.36 129.84 2k0f n ILE 126 Ca 0.05 -0.10 -0.22 0.00 1.00 0.00 0.00 62.75 63.47 2k0f n ILE 126 Cb 0.48 -0.30 -0.14 0.00 -0.71 0.00 0.00 39.64 38.96 2k0f n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k0f h ASP 127 N 0.00 0.48 -3.91 4.38 3.32 -1.97 -3.49 116.42 115.24 2k0f h ASP 127 Ca 0.00 -0.91 -0.24 0.00 0.02 0.00 0.00 57.03 55.91 2k0f h ASP 127 Cb 0.59 -0.16 0.08 0.00 0.22 0.00 0.00 39.33 40.07 2k0f h ASP 127 CO 0.00 1.75 -0.41 0.61 -1.72 0.00 0.00 179.24 179.47 2k0f n GLY 128 N 1.85 0.05 0.12 2.75 0.00 -1.20 -4.96 105.19 103.80 2k0f n GLY 128 Ca -0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N -1.25 1.56 0.00 1.61 5.75 -1.26 -5.01 116.55 117.95 2k0f n ASP 129 Ca -0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 2k0f n ASP 129 Cb 0.54 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.88 1.25 3.27 6.12 0.00 -1.26 -5.08 105.19 111.36 2k0f n GLY 130 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.48 2.21 -0.37 1.61 -0.21 -1.26 -3.67 119.66 117.49 2k0f s GLN 131 Ca 0.00 -0.87 -0.17 0.00 0.02 0.00 0.00 55.36 54.34 2k0f s GLN 131 Cb 0.00 -2.00 -0.00 0.00 1.00 0.00 0.00 33.01 32.01 2k0f s GLN 131 CO 0.00 0.45 0.43 0.08 -2.12 0.00 0.00 175.29 174.13 2k0f s VAL 132 N -0.36 5.09 0.89 1.09 1.01 -0.45 -4.96 120.40 122.72 2k0f s VAL 132 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2k0f s VAL 132 Cb -0.11 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.49 2k0f s VAL 132 CO 0.01 -0.22 1.26 0.20 0.00 0.00 0.00 175.10 176.35 2k0f s ASN 133 N 1.77 3.73 0.14 3.32 -0.87 -1.26 -2.16 114.94 119.60 2k0f s ASN 133 Ca 0.14 0.51 -0.24 0.00 -1.57 0.00 0.00 52.86 51.70 2k0f s ASN 133 Cb -0.16 -0.76 -0.01 0.00 -0.02 0.00 0.00 41.25 40.30 2k0f s ASN 133 CO 0.13 -2.37 1.64 1.88 -2.57 0.00 0.00 177.10 175.81 2k0f h TYR 134 N -1.39 -0.61 -0.82 2.20 0.05 -1.99 -2.28 116.97 112.14 2k0f h TYR 134 Ca -0.45 0.03 0.20 0.00 0.05 0.00 0.00 58.73 58.56 2k0f h TYR 134 Cb 1.28 0.29 -0.13 0.00 1.01 0.00 0.00 36.73 39.17 2k0f h TYR 134 CO -0.49 -0.31 0.18 0.93 -1.05 0.00 0.00 178.16 177.42 2k0f h GLU 135 N -0.29 0.20 -0.05 4.88 5.08 -1.97 0.43 114.58 122.87 2k0f h GLU 135 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2k0f h GLU 135 Cb 0.44 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 135 CO -0.30 0.13 0.00 0.93 -1.00 0.00 0.00 179.01 178.78 2k0f h GLU 136 N 0.21 0.08 -0.81 2.33 5.08 -1.92 -2.83 114.58 116.72 2k0f h GLU 136 Ca 0.49 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 2k0f h GLU 136 Cb 0.93 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 2k0f h GLU 136 CO -0.62 0.34 0.37 0.35 -1.00 0.00 0.00 179.01 178.45 2k0f h PHE 137 N -0.19 1.19 -0.28 4.33 3.57 -0.88 -2.12 116.94 122.56 2k0f h PHE 137 Ca 0.01 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 137 Cb 0.30 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2k0f h PHE 137 CO 0.02 0.87 -0.31 0.28 -2.23 0.00 0.00 178.31 176.95 2k0f h VAL 138 N 1.16 1.28 0.80 1.41 2.07 -0.19 -2.91 116.25 119.87 2k0f h VAL 138 Ca 0.28 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2k0f h VAL 138 Cb 0.15 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2k0f h VAL 138 CO -0.03 0.45 -0.39 -0.61 0.02 0.00 0.00 177.57 177.01 2k0f h GLN 139 N 0.50 -1.04 -0.84 1.57 5.75 -1.44 -3.14 115.11 116.48 2k0f h GLN 139 Ca 0.06 0.07 0.20 0.00 -0.15 0.00 0.00 58.65 58.84 2k0f h GLN 139 Cb 0.78 0.24 -0.15 0.00 1.07 0.00 0.00 27.48 29.42 2k0f h GLN 139 CO 0.06 -0.69 0.05 1.98 -2.65 0.00 0.00 178.83 177.58 2k0f h MET 140 N -1.11 0.10 0.12 1.69 4.05 -1.44 -3.28 114.93 115.06 2k0f h MET 140 Ca -0.11 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2k0f h MET 140 Cb 0.83 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2k0f h MET 140 CO 0.18 0.07 -0.06 1.98 0.23 0.00 0.00 176.91 179.31 2k0f h MET 141 N 0.10 -0.15 0.00 0.39 1.85 -1.54 -3.51 114.93 112.07 2k0f h MET 141 Ca 0.48 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.58 2k0f h MET 141 Cb 0.90 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.97 2k0f h MET 141 CO -0.73 -0.10 0.00 0.25 -0.40 0.00 0.00 176.91 175.93