#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh1 h SER 7 N 0.00 0.00 0.46 1.62 4.64 -2.05 -1.77 113.55 116.45 3kh1 h SER 7 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3kh1 h SER 7 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kh1 h SER 7 CO 0.00 0.25 -0.22 -0.09 -0.87 0.00 0.00 176.83 175.90 3kh1 h ARG 8 N 0.00 -0.60 -0.49 4.77 2.43 -2.02 -1.28 114.38 117.20 3kh1 h ARG 8 Ca -0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3kh1 h ARG 8 Cb 0.75 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3kh1 h ARG 8 CO 0.03 -0.32 0.13 1.25 -1.51 0.00 0.00 179.97 179.55 3kh1 h LEU 9 N -0.78 0.68 -0.95 3.80 5.85 -1.98 -1.23 115.31 120.70 3kh1 h LEU 9 Ca -0.06 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3kh1 h LEU 9 Cb 0.55 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3kh1 h LEU 9 CO 0.10 0.67 0.58 0.00 -0.34 0.00 0.00 178.44 179.45 3kh1 h ALA 10 N 1.43 1.20 -0.23 1.25 0.00 -1.26 -2.71 119.26 118.95 3kh1 h ALA 10 Ca 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kh1 h ALA 10 Cb 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kh1 h ALA 10 CO -0.00 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.80 3kh1 h ALA 11 N 1.32 0.32 0.00 0.00 0.00 -0.50 -0.46 119.26 119.93 3kh1 h ALA 11 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kh1 h ALA 11 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kh1 h ALA 11 CO -0.07 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.38 3kh1 n GLN 12 N -4.53 0.00 0.00 0.00 6.02 -0.53 -1.79 117.38 116.54 3kh1 n GLN 12 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3kh1 n GLN 12 Cb 0.33 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.49 3kh1 n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3kh1 n SER 14 N 0.61 0.00 -0.07 1.08 2.88 -0.18 -1.24 113.62 116.69 3kh1 n SER 14 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3kh1 n SER 14 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3kh1 n SER 14 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3kh1 h PHE 15 N 0.00 0.46 -0.79 0.66 3.57 -1.62 -0.77 116.94 118.46 3kh1 h PHE 15 Ca 0.00 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.46 3kh1 h PHE 15 Cb 0.00 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 3kh1 h PHE 15 CO 0.00 0.68 0.46 0.28 -2.23 0.00 0.00 178.31 177.51 3kh1 h VAL 16 N 0.11 0.97 -0.11 1.41 2.07 -1.45 -0.98 116.25 118.28 3kh1 h VAL 16 Ca 0.05 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3kh1 h VAL 16 Cb 0.55 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3kh1 h VAL 16 CO 0.03 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 178.31 3kh1 h VAL 17 N 0.82 1.30 -0.93 2.57 2.07 -1.82 -3.28 116.25 116.99 3kh1 h VAL 17 Ca 0.36 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kh1 h VAL 17 Cb 0.24 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3kh1 h VAL 17 CO -0.20 0.29 0.61 -0.08 0.02 0.00 0.00 177.57 178.21 3kh1 h GLU 18 N -0.11 1.22 0.00 1.57 4.57 -0.61 -2.57 114.58 118.64 3kh1 h GLU 18 Ca 0.03 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kh1 h GLU 18 Cb 0.47 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3kh1 h GLU 18 CO 0.01 0.81 0.00 0.44 -1.18 0.00 0.00 179.01 179.09 3kh1 n ILE 19 N -4.44 1.00 -0.24 2.32 -5.35 -0.42 -1.56 119.36 110.68 3kh1 n ILE 19 Ca 0.10 0.25 0.29 0.00 -0.27 0.00 0.00 62.75 63.13 3kh1 n ILE 19 Cb 0.01 -1.01 0.69 0.00 -1.74 0.00 0.00 39.64 37.60 3kh1 n ILE 19 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 3kh1 h ASP 20 N 0.00 0.08 0.29 7.28 3.58 -1.53 -0.37 116.42 125.75 3kh1 h ASP 20 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3kh1 h ASP 20 Cb 0.25 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3kh1 h ASP 20 CO 0.00 0.02 0.00 0.11 -2.88 0.00 0.00 179.24 176.49 3kh1 h LYS 21 N 0.07 0.00 0.00 0.28 1.57 -1.50 -1.91 116.57 115.09 3kh1 h LYS 21 Ca 0.49 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 3kh1 h LYS 21 Cb 1.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.13 3kh1 h LYS 21 CO -0.05 0.00 -0.07 1.25 -0.57 0.00 0.00 179.45 180.01 3kh1 h LEU 22 N 0.00 0.00 -1.98 2.94 5.85 -1.29 -1.20 115.31 119.62 3kh1 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kh1 h LEU 22 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kh1 h LEU 22 CO 0.00 0.07 0.00 0.11 -0.34 0.00 0.00 178.44 178.28 3kh1 h LYS 23 N 0.00 0.00 -0.00 1.25 1.57 -1.54 -2.42 116.57 115.43 3kh1 h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kh1 h LYS 23 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kh1 h LYS 23 CO 0.01 0.00 -0.55 0.25 -0.57 0.00 0.00 179.45 178.58 3kh1 n THR 24 N -2.80 0.00 -2.95 -0.16 -2.24 -0.46 -4.76 114.28 100.91 3kh1 n THR 24 Ca -0.01 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3kh1 n THR 24 Cb 0.14 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 3kh1 n THR 24 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kh1 s ILE 25 N -2.83 4.63 -0.03 2.28 -1.09 -0.91 -5.01 121.20 118.23 3kh1 s ILE 25 Ca 0.14 0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 58.85 3kh1 s ILE 25 Cb 0.18 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 3kh1 s ILE 25 CO 0.68 -0.72 0.55 -0.76 -1.23 0.00 0.00 174.94 173.47 3kh1 s LEU 26 N 3.33 4.39 0.71 2.97 1.43 -1.26 -0.92 118.68 129.33 3kh1 s LEU 26 Ca 0.31 1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 54.40 3kh1 s LEU 26 Cb -0.12 -2.84 0.07 0.00 0.03 0.00 0.00 46.19 43.33 3kh1 s LEU 26 CO 0.23 0.10 1.03 -0.13 0.23 0.00 0.00 176.35 177.80 3kh1 s ARG 27 N -0.06 2.15 0.26 1.70 0.52 0.43 -4.70 118.95 119.23 3kh1 s ARG 27 Ca 0.29 -0.26 0.12 0.00 -0.52 0.00 0.00 55.73 55.36 3kh1 s ARG 27 Cb -0.17 -2.16 0.24 0.00 0.52 0.00 0.00 34.95 33.37 3kh1 s ARG 27 CO 0.15 -1.28 1.53 1.96 0.02 0.00 0.00 175.30 177.68 3kh1 h GLN 28 N -0.63 0.00 -6.94 3.54 1.08 -1.96 -3.41 115.11 106.78 3kh1 h GLN 28 Ca -0.44 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.26 3kh1 h GLN 28 Cb 1.31 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.78 3kh1 h GLN 28 CO 0.60 0.65 0.47 -0.08 -0.95 0.00 0.00 178.83 179.52 3kh1 s THR 29 N -3.28 3.35 0.49 -0.54 -1.32 -1.26 -4.89 115.64 108.20 3kh1 s THR 29 Ca 0.00 1.11 -0.04 0.00 -1.21 0.00 0.00 61.69 61.55 3kh1 s THR 29 Cb 0.11 -3.61 -0.02 0.00 -1.51 0.00 0.00 72.50 67.47 3kh1 s THR 29 CO 0.76 0.08 0.78 -0.76 -2.21 0.00 0.00 174.62 173.26 3kh1 s LEU 30 N -2.51 3.56 0.92 9.08 1.43 -1.26 -0.45 118.68 129.44 3kh1 s LEU 30 Ca 0.57 0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 3kh1 s LEU 30 Cb -0.28 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 42.45 3kh1 s LEU 30 CO 0.35 -0.69 1.12 -0.76 0.23 0.00 0.00 176.35 176.59 3kh1 s LEU 31 N -4.74 2.62 0.57 1.79 1.43 0.29 -4.67 118.68 115.97 3kh1 s LEU 31 Ca 0.48 2.01 0.31 0.00 -1.03 0.00 0.00 54.13 55.90 3kh1 s LEU 31 Cb -0.10 -4.39 1.73 0.00 0.03 0.00 0.00 46.19 43.45 3kh1 s LEU 31 CO 0.43 -3.02 2.18 0.74 0.23 0.00 0.00 176.35 176.92 3kh1 h THR 32 N -1.81 0.45 -0.10 5.49 2.02 -1.95 0.10 112.91 117.11 3kh1 h THR 32 Ca -0.46 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3kh1 h THR 32 Cb 1.27 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3kh1 h THR 32 CO 0.45 0.05 0.00 -0.90 0.37 0.00 0.00 175.52 175.49 3kh1 n ASP 33 N -3.62 0.79 -1.03 4.18 5.75 -1.26 -4.89 116.55 116.47 3kh1 n ASP 33 Ca -0.02 -1.70 -0.12 0.00 -0.01 0.00 0.00 54.79 52.94 3kh1 n ASP 33 Cb 0.16 -0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 3kh1 n ASP 33 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3kh1 n SER 34 N -0.20 -4.88 0.11 -1.12 7.64 0.36 -4.88 113.62 110.64 3kh1 n SER 34 Ca 0.12 0.30 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 3kh1 n SER 34 Cb 0.17 -3.88 0.08 0.00 -1.01 0.00 0.00 64.21 59.58 3kh1 n SER 34 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3kh1 h SER 35 N 0.00 0.03 -5.19 6.43 4.64 -1.92 -3.46 113.55 114.09 3kh1 h SER 35 Ca -0.25 -0.02 0.17 0.00 -0.47 0.00 0.00 61.79 61.21 3kh1 h SER 35 Cb 1.07 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 63.06 3kh1 h SER 35 CO 0.37 0.75 0.50 0.00 -0.87 0.00 0.00 176.83 177.57 3kh1 s ARG 36 N -3.37 1.08 0.29 4.77 1.70 -1.26 -5.02 118.95 117.14 3kh1 s ARG 36 Ca -0.01 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 3kh1 s ARG 36 Cb 0.12 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.79 3kh1 s ARG 36 CO 0.78 -0.49 1.28 1.03 -1.08 0.00 0.00 175.30 176.82 3kh1 s ARG 37 N -3.22 4.41 0.37 3.89 0.52 -1.26 -0.55 118.95 123.10 3kh1 s ARG 37 Ca 0.11 2.12 -0.27 0.00 -0.52 0.00 0.00 55.73 57.17 3kh1 s ARG 37 Cb -0.01 -3.12 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 3kh1 s ARG 37 CO -0.01 -0.14 1.22 -2.00 0.02 0.00 0.00 175.30 174.39 3kh1 s GLU 38 N -1.36 4.19 0.36 3.54 2.12 0.40 -4.78 118.70 123.17 3kh1 s GLU 38 Ca 0.50 1.98 0.07 0.00 0.36 0.00 0.00 54.97 57.89 3kh1 s GLU 38 Cb -0.38 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3kh1 s GLU 38 CO 0.48 -0.24 0.39 0.54 -0.54 0.00 0.00 175.26 175.88 3kh1 s ASN 39 N -0.87 5.48 0.23 -1.70 2.20 -1.26 -0.43 114.94 118.60 3kh1 s ASN 39 Ca 0.53 -0.44 -0.03 0.00 -0.94 0.00 0.00 52.86 51.98 3kh1 s ASN 39 Cb -0.34 -0.94 0.25 0.00 -2.00 0.00 0.00 41.25 38.21 3kh1 s ASN 39 CO 0.44 -0.47 1.68 0.44 -2.94 0.00 0.00 177.10 176.26 3kh1 h ASP 40 N 1.05 0.75 0.01 3.54 3.32 -1.12 -1.93 116.42 122.05 3kh1 h ASP 40 Ca -0.44 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.37 3kh1 h ASP 40 Cb 1.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3kh1 h ASP 40 CO 0.55 0.91 -0.01 0.00 -1.72 0.00 0.00 179.24 178.98 3kh1 h ALA 41 N 1.15 -0.02 0.00 3.45 0.00 -1.84 -1.26 119.26 120.75 3kh1 h ALA 41 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kh1 h ALA 41 Cb 0.63 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kh1 h ALA 41 CO 0.04 -0.33 -0.35 1.05 0.00 0.00 0.00 179.25 179.67 3kh1 h GLU 42 N -0.37 0.00 -0.50 0.00 4.11 -1.90 -1.05 114.58 114.87 3kh1 h GLU 42 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 3kh1 h GLU 42 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3kh1 h GLU 42 CO 0.00 0.35 0.11 1.25 0.07 0.00 0.00 179.01 180.79 3kh1 h HIS 43 N 0.00 0.84 -0.37 2.06 2.76 -1.25 -1.98 115.15 117.20 3kh1 h HIS 43 Ca -0.00 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 57.97 3kh1 h HIS 43 Cb 0.64 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 3kh1 h HIS 43 CO 0.00 0.75 -0.16 0.77 -1.30 0.00 0.00 177.93 177.99 3kh1 h SER 44 N 0.68 0.68 -0.61 3.26 0.02 -0.62 -1.42 113.55 115.55 3kh1 h SER 44 Ca 0.15 -0.21 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3kh1 h SER 44 Cb 0.34 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 62.62 3kh1 h SER 44 CO 0.00 0.86 0.21 -0.25 -1.14 0.00 0.00 176.83 176.51 3kh1 h TRP 45 N 0.62 0.35 -0.24 3.45 7.01 -1.06 -1.25 115.95 124.83 3kh1 h TRP 45 Ca 0.10 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 3kh1 h TRP 45 Cb 0.62 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3kh1 h TRP 45 CO 0.03 0.07 -0.02 1.25 -2.79 0.00 0.00 178.44 176.98 3kh1 h HIS 46 N 0.37 0.48 -0.01 2.65 2.76 -0.55 -1.33 115.15 119.53 3kh1 h HIS 46 Ca 0.31 -0.09 -0.18 0.00 -2.20 0.00 0.00 60.37 58.21 3kh1 h HIS 46 Cb 0.40 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3kh1 h HIS 46 CO -0.18 0.63 -0.80 -0.84 -1.30 0.00 0.00 177.93 175.44 3kh1 h ILE 47 N 0.20 1.48 -0.84 6.26 3.07 -1.15 -2.96 117.51 123.56 3kh1 h ILE 47 Ca 0.07 -2.48 -0.02 0.00 1.55 0.00 0.00 64.86 63.98 3kh1 h ILE 47 Cb 0.45 2.35 -0.04 0.00 -0.27 0.00 0.00 36.82 39.31 3kh1 h ILE 47 CO 0.02 0.72 0.46 0.00 -1.05 0.00 0.00 178.15 178.30 3kh1 h ALA 48 N 1.07 1.08 0.00 0.16 0.00 -1.11 -1.69 119.26 118.76 3kh1 h ALA 48 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kh1 h ALA 48 Cb 1.39 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kh1 h ALA 48 CO 0.12 0.59 0.00 2.41 0.00 0.00 0.00 179.25 182.37 3kh1 n THR 49 N -4.38 0.10 0.00 0.00 -1.04 -0.51 -3.25 114.28 105.20 3kh1 n THR 49 Ca 0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3kh1 n THR 49 Cb 0.09 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 3kh1 n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kh1 n ALA 51 N 1.02 0.00 -0.05 2.41 0.00 -0.64 -1.65 120.51 121.60 3kh1 n ALA 51 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3kh1 n ALA 51 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 3kh1 n ALA 51 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3kh1 h PHE 52 N 0.00 0.57 -0.70 0.00 0.04 -1.85 -2.52 116.94 112.48 3kh1 h PHE 52 Ca 0.00 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.53 3kh1 h PHE 52 Cb 0.00 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3kh1 h PHE 52 CO 0.00 0.92 0.32 -0.07 -0.60 0.00 0.00 178.31 178.88 3kh1 h LEU 53 N 0.06 0.91 -3.24 1.54 3.38 -1.63 -2.94 115.31 113.39 3kh1 h LEU 53 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kh1 h LEU 53 Cb 0.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kh1 h LEU 53 CO 0.07 0.78 0.00 0.18 0.09 0.00 0.00 178.44 179.56 3kh1 n LEU 54 N -4.32 4.36 -0.11 1.67 4.77 -1.25 -4.69 117.00 117.43 3kh1 n LEU 54 Ca 0.07 -2.71 0.15 0.00 -0.03 0.00 0.00 56.01 53.49 3kh1 n LEU 54 Cb 0.14 -0.54 0.54 0.00 -2.33 0.00 0.00 43.42 41.23 3kh1 n LEU 54 CO 0.39 0.71 1.20 0.00 -1.33 0.00 0.00 177.39 178.36 3kh1 h ALA 55 N 2.86 2.16 0.00 -1.18 0.00 -1.26 -1.88 119.26 119.95 3kh1 h ALA 55 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kh1 h ALA 55 Cb 1.46 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kh1 h ALA 55 CO 0.25 -0.33 -0.01 1.05 0.00 0.00 0.00 179.25 180.21 3kh1 h GLU 56 N 0.34 0.00 -0.01 0.00 4.11 -1.85 -2.01 114.58 115.16 3kh1 h GLU 56 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3kh1 h GLU 56 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3kh1 h GLU 56 CO -0.09 0.01 -0.21 0.66 0.07 0.00 0.00 179.01 179.46 3kh1 n TYR 57 N -3.14 0.00 -2.51 2.06 4.01 -0.71 -4.91 117.16 111.96 3kh1 n TYR 57 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 3kh1 n TYR 57 Cb 0.17 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 3kh1 n TYR 57 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kh1 s ALA 58 N -2.48 3.07 0.64 -0.72 0.00 -0.76 -4.62 121.76 116.89 3kh1 s ALA 58 Ca 0.26 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 3kh1 s ALA 58 Cb 0.19 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 3kh1 s ALA 58 CO 0.50 -0.14 0.95 -0.25 0.00 0.00 0.00 175.76 176.82 3kh1 n ASP 59 N -1.35 0.61 0.02 0.00 9.92 -1.26 -4.89 116.55 119.60 3kh1 n ASP 59 Ca 0.07 0.75 0.09 0.00 -0.53 0.00 0.00 54.79 55.17 3kh1 n ASP 59 Cb 0.54 -1.39 0.51 0.00 -0.64 0.00 0.00 41.12 40.14 3kh1 n ASP 59 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3kh1 h GLU 60 N 0.22 0.35 0.00 -1.24 5.08 -1.97 -1.91 114.58 115.12 3kh1 h GLU 60 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kh1 h GLU 60 Cb 1.36 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3kh1 h GLU 60 CO 0.49 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 3kh1 h ALA 61 N 1.77 1.00 -2.71 3.43 0.00 -2.00 -3.45 119.26 117.30 3kh1 h ALA 61 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.56 3kh1 h ALA 61 Cb 0.23 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.06 3kh1 h ALA 61 CO -0.04 0.00 0.65 0.08 0.00 0.00 0.00 179.25 179.94 3kh1 s VAL 62 N -3.44 3.13 -0.48 0.00 1.01 -0.72 -4.88 120.40 115.02 3kh1 s VAL 62 Ca 0.03 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 3kh1 s VAL 62 Cb 0.09 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.93 3kh1 s VAL 62 CO 0.45 0.16 0.42 -1.10 0.00 0.00 0.00 175.10 175.03 3kh1 s GLN 63 N -0.42 3.00 0.12 2.72 -0.21 -1.26 -4.98 119.66 118.63 3kh1 s GLN 63 Ca 0.55 -1.30 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 3kh1 s GLN 63 Cb -0.37 -4.13 -0.02 0.00 1.00 0.00 0.00 33.01 29.49 3kh1 s GLN 63 CO 0.40 -1.06 1.60 0.82 -2.12 0.00 0.00 175.29 174.94 3kh1 h ILE 64 N 5.77 1.24 -0.84 1.08 1.08 -1.95 -0.55 117.51 123.34 3kh1 h ILE 64 Ca -0.28 -0.87 0.09 0.00 -0.39 0.00 0.00 64.86 63.41 3kh1 h ILE 64 Cb 1.11 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.86 3kh1 h ILE 64 CO 0.89 0.30 0.55 1.23 -0.69 0.00 0.00 178.15 180.42 3kh1 h GLY 65 N 0.49 1.16 1.14 5.37 0.00 -1.96 0.11 103.07 109.38 3kh1 h GLY 65 Ca 0.12 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3kh1 h GLY 65 CO 0.01 0.20 -0.50 -0.09 0.00 0.00 0.00 176.54 176.15 3kh1 h ARG 66 N 0.82 0.89 -0.62 4.80 2.43 -1.80 -1.51 114.38 119.39 3kh1 h ARG 66 Ca 0.39 -0.54 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3kh1 h ARG 66 Cb 0.41 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3kh1 h ARG 66 CO -0.15 1.18 0.37 0.28 -1.51 0.00 0.00 179.97 180.14 3kh1 h VAL 67 N 0.69 1.05 -0.33 0.20 2.07 -0.62 -2.71 116.25 116.60 3kh1 h VAL 67 Ca 0.03 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3kh1 h VAL 67 Cb 1.11 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3kh1 h VAL 67 CO 0.11 0.13 0.15 0.00 0.02 0.00 0.00 177.57 177.99 3kh1 h ALA 68 N 1.28 0.40 0.00 1.67 0.00 -0.76 0.35 119.26 122.20 3kh1 h ALA 68 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kh1 h ALA 68 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kh1 h ALA 68 CO -0.12 -0.23 0.00 -2.13 0.00 0.00 0.00 179.25 176.77 3kh1 n ARG 69 N -4.97 0.00 0.00 0.00 0.63 -0.59 -0.90 116.66 110.84 3kh1 n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3kh1 n ARG 69 Cb 0.09 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3kh1 n ARG 69 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3kh1 n LEU 71 N 0.71 0.00 0.22 6.15 4.77 0.11 -2.02 117.00 126.94 3kh1 n LEU 71 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3kh1 n LEU 71 Cb 0.00 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 3kh1 n LEU 71 CO 0.00 0.00 0.98 -0.07 -1.33 0.00 0.00 177.39 176.97 3kh1 h LEU 72 N 0.00 0.05 -1.08 2.23 3.38 -1.27 -3.05 115.31 115.58 3kh1 h LEU 72 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kh1 h LEU 72 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kh1 h LEU 72 CO 0.00 0.14 -0.34 2.30 0.09 0.00 0.00 178.44 180.63 3kh1 n ILE 73 N -4.41 0.00 0.24 1.22 -6.64 -0.85 -4.67 119.36 104.24 3kh1 n ILE 73 Ca -0.02 -0.33 0.08 0.00 -1.77 0.00 0.00 62.75 60.71 3kh1 n ILE 73 Cb 0.18 1.26 0.60 0.00 -1.44 0.00 0.00 39.64 40.23 3kh1 n ILE 73 CO 0.00 0.00 0.00 1.12 -1.77 0.00 0.00 176.55 175.90 3kh1 h HIS 74 N 2.41 0.00 -0.25 4.28 2.07 -1.80 -2.32 115.15 119.53 3kh1 h HIS 74 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kh1 h HIS 74 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3kh1 h HIS 74 CO 0.00 0.16 0.00 -0.25 -3.07 0.00 0.00 177.93 174.77 3kh1 n ASP 75 N -4.04 2.90 -0.32 3.10 8.00 -1.26 -4.62 116.55 120.31 3kh1 n ASP 75 Ca -0.02 -1.85 0.10 0.00 0.71 0.00 0.00 54.79 53.73 3kh1 n ASP 75 Cb 0.24 -0.16 0.31 0.00 -0.02 0.00 0.00 41.12 41.50 3kh1 n ASP 75 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kh1 h ILE 76 N 3.37 0.84 -0.35 0.53 2.04 -1.72 0.65 117.51 122.88 3kh1 h ILE 76 Ca 0.00 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3kh1 h ILE 76 Cb 0.79 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3kh1 h ILE 76 CO 0.00 0.15 0.34 -0.37 0.00 0.00 0.00 178.15 178.27 3kh1 h VAL 77 N 0.82 0.51 0.00 1.67 -1.51 -1.82 -1.20 116.25 114.73 3kh1 h VAL 77 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 3kh1 h VAL 77 Cb 0.67 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3kh1 h VAL 77 CO -0.26 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 175.75 3kh1 h GLU 78 N 0.00 0.00 -0.85 5.19 5.08 -1.11 -0.92 114.58 121.97 3kh1 h GLU 78 Ca 0.17 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.72 3kh1 h GLU 78 Cb 0.84 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 3kh1 h GLU 78 CO -0.00 0.00 0.37 0.82 -1.00 0.00 0.00 179.01 179.19 3kh1 h ILE 79 N 0.00 0.55 0.00 3.13 2.04 -1.35 0.09 117.51 121.97 3kh1 h ILE 79 Ca 0.00 -0.15 -0.37 0.00 1.00 0.00 0.00 64.86 65.34 3kh1 h ILE 79 Cb 0.30 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 3kh1 h ILE 79 CO 0.00 0.08 -2.38 0.47 0.00 0.00 0.00 178.15 176.31 3kh1 n ASP 80 N -5.02 0.80 0.04 1.72 8.00 -0.93 -4.58 116.55 116.57 3kh1 n ASP 80 Ca 0.19 -0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.78 3kh1 n ASP 80 Cb 0.56 0.40 0.17 0.00 -0.02 0.00 0.00 41.12 42.24 3kh1 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kh1 n ALA 81 N -2.93 3.15 -0.31 2.24 0.00 -0.39 -5.05 120.51 117.22 3kh1 n ALA 81 Ca -0.37 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 52.81 3kh1 n ALA 81 Cb 1.09 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 3kh1 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kh1 n GLY 82 N 1.38 -1.85 3.84 0.00 0.00 0.01 -4.92 105.19 103.65 3kh1 n GLY 82 Ca 0.04 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 3kh1 n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kh1 s ASP 83 N -4.64 6.74 -0.04 1.61 2.15 -1.26 -4.59 116.67 116.63 3kh1 s ASP 83 Ca 0.00 0.88 0.06 0.00 0.43 0.00 0.00 52.55 53.92 3kh1 s ASP 83 Cb 0.00 -2.22 -0.01 0.00 -0.30 0.00 0.00 42.92 40.39 3kh1 s ASP 83 CO 0.00 0.34 -0.21 0.42 -0.17 0.00 0.00 175.17 175.54 3kh1 s THR 84 N -1.04 1.73 0.19 1.71 -4.23 -1.26 -5.07 115.64 107.67 3kh1 s THR 84 Ca 0.22 -0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 3kh1 s THR 84 Cb -0.16 -1.47 -0.08 0.00 1.34 0.00 0.00 72.50 72.13 3kh1 s THR 84 CO 0.12 0.49 1.23 0.12 -0.54 0.00 0.00 174.62 176.04 3kh1 s PHE 85 N -0.20 3.37 0.46 3.99 5.36 -1.26 -4.91 117.98 124.79 3kh1 s PHE 85 Ca -0.00 1.36 0.11 0.00 -0.96 0.00 0.00 56.93 57.45 3kh1 s PHE 85 Cb -0.11 -3.48 1.03 0.00 -0.34 0.00 0.00 43.02 40.12 3kh1 s PHE 85 CO 0.02 -1.40 2.08 0.97 -1.46 0.00 0.00 175.22 175.42 3kh1 h ILE 86 N 3.75 1.07 -0.03 3.12 2.10 -2.05 -1.23 117.51 124.24 3kh1 h ILE 86 Ca -0.45 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.30 3kh1 h ILE 86 Cb 1.21 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3kh1 h ILE 86 CO 0.75 0.08 0.00 1.41 -1.08 0.00 0.00 178.15 179.31 3kh1 n HIS 87 N -4.48 0.02 0.00 2.19 8.25 -1.26 -5.21 115.22 114.74 3kh1 n HIS 87 Ca -0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3kh1 n HIS 87 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3kh1 n HIS 87 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kh1 n ASP 88 N -0.18 0.00 0.00 0.41 8.00 -0.47 -5.11 116.55 119.21 3kh1 n ASP 88 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3kh1 n ASP 88 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3kh1 n ASP 88 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3kh1 n ASP 94 N 0.00 0.00 -0.06 -2.24 5.68 -1.26 -4.92 116.55 113.75 3kh1 n ASP 94 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3kh1 n ASP 94 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3kh1 n ASP 94 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3kh1 h LYS 95 N 0.00 0.30 -0.59 0.11 3.64 -1.99 -1.03 116.57 117.01 3kh1 h LYS 95 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kh1 h LYS 95 Cb 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3kh1 h LYS 95 CO 0.00 0.23 0.35 0.93 -2.27 0.00 0.00 179.45 178.69 3kh1 h GLU 96 N 0.29 0.81 -0.48 1.90 5.08 -2.01 0.40 114.58 120.56 3kh1 h GLU 96 Ca 0.08 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3kh1 h GLU 96 Cb -0.00 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3kh1 h GLU 96 CO -0.02 0.58 0.01 1.49 -1.00 0.00 0.00 179.01 180.08 3kh1 h GLU 97 N 0.80 0.84 -0.63 2.33 4.22 -1.96 -0.05 114.58 120.13 3kh1 h GLU 97 Ca 0.21 -0.26 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 3kh1 h GLU 97 Cb -0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3kh1 h GLU 97 CO -0.04 0.88 0.25 0.00 -2.18 0.00 0.00 179.01 177.92 3kh1 h ARG 98 N 0.70 0.95 -0.26 1.92 3.08 -0.68 -1.93 114.38 118.16 3kh1 h ARG 98 Ca 0.14 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3kh1 h ARG 98 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3kh1 h ARG 98 CO 0.02 0.81 -0.47 0.93 -1.07 0.00 0.00 179.97 180.19 3kh1 h GLU 99 N 0.89 0.68 -0.46 0.04 5.08 -0.85 -0.20 114.58 119.75 3kh1 h GLU 99 Ca 0.21 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3kh1 h GLU 99 Cb 0.22 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3kh1 h GLU 99 CO -0.02 1.00 0.28 -0.09 -1.00 0.00 0.00 179.01 179.19 3kh1 h ARG 100 N 0.54 0.55 -0.55 2.33 2.43 -0.85 0.20 114.38 119.04 3kh1 h ARG 100 Ca 0.03 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3kh1 h ARG 100 Cb 1.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3kh1 h ARG 100 CO 0.10 0.37 0.07 0.87 -1.51 0.00 0.00 179.97 179.86 3kh1 h LYS 101 N 0.57 0.92 -0.27 0.20 1.57 -1.23 -2.03 116.57 116.30 3kh1 h LYS 101 Ca 0.18 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kh1 h LYS 101 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3kh1 h LYS 101 CO -0.07 0.90 0.15 0.00 -0.57 0.00 0.00 179.45 179.86 3kh1 h ALA 102 N 0.98 0.34 -0.54 3.86 0.00 -0.57 -1.99 119.26 121.34 3kh1 h ALA 102 Ca 0.16 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3kh1 h ALA 102 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kh1 h ALA 102 CO 0.01 -0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.37 3kh1 h ALA 103 N 1.12 0.69 -0.60 0.00 0.00 -0.34 0.12 119.26 120.24 3kh1 h ALA 103 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kh1 h ALA 103 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3kh1 h ALA 103 CO -0.06 0.08 0.37 0.00 0.00 0.00 0.00 179.25 179.64 3kh1 h ALA 104 N 1.22 0.78 -0.04 0.00 0.00 -1.10 -0.22 119.26 119.90 3kh1 h ALA 104 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kh1 h ALA 104 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kh1 h ALA 104 CO -0.07 0.12 -0.05 -0.09 0.00 0.00 0.00 179.25 179.16 3kh1 h ARG 105 N 0.74 0.10 0.27 0.00 2.43 -0.93 -2.43 114.38 114.56 3kh1 h ARG 105 Ca 0.24 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3kh1 h ARG 105 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kh1 h ARG 105 CO -0.10 0.60 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.76 3kh1 h LEU 106 N -0.39 -0.31 -1.91 3.80 3.38 -0.67 -3.05 115.31 116.15 3kh1 h LEU 106 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kh1 h LEU 106 Cb 0.59 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kh1 h LEU 106 CO 0.01 0.18 -0.12 -0.26 0.09 0.00 0.00 178.44 178.34 3kh1 h PHE 107 N -1.02 0.00 0.00 1.13 0.04 -1.23 -1.90 116.94 113.96 3kh1 h PHE 107 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3kh1 h PHE 107 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3kh1 h PHE 107 CO 0.03 0.12 0.00 0.78 -0.60 0.00 0.00 178.31 178.65 3kh1 h GLY 108 N 0.77 0.00 2.00 -1.45 0.00 -1.35 -1.18 103.07 101.87 3kh1 h GLY 108 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3kh1 h GLY 108 CO 0.02 0.00 -0.29 1.41 0.00 0.00 0.00 176.54 177.68 3kh1 h LEU 109 N 0.00 0.00-10.37 3.11 3.38 -1.24 -3.45 115.31 106.74 3kh1 h LEU 109 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3kh1 h LEU 109 Cb 0.09 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.93 3kh1 h LEU 109 CO 0.00 0.29 0.38 -0.76 0.09 0.00 0.00 178.44 178.44 3kh1 s LEU 110 N -7.43 3.05 0.71 1.67 1.43 -0.44 -4.50 118.68 113.16 3kh1 s LEU 110 Ca -0.02 1.49 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 3kh1 s LEU 110 Cb 0.13 -4.35 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 3kh1 s LEU 110 CO 0.66 -1.39 0.97 -2.65 0.23 0.00 0.00 176.35 174.17 3kh1 n PRO 111 N -3.09 0.56 -0.27 1.29 -0.02 -1.26 -4.47 135.00 127.75 3kh1 n PRO 111 Ca 0.07 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3kh1 n PRO 111 Cb 0.54 -2.22 0.34 0.00 -0.02 0.00 0.00 33.50 32.14 3kh1 n PRO 111 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kh1 h PRO 112 N -0.15 0.77 -0.26 0.52 0.11 -1.94 0.14 132.00 131.18 3kh1 h PRO 112 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kh1 h PRO 112 Cb 1.34 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kh1 h PRO 112 CO 0.47 0.51 0.16 0.38 -0.21 0.00 0.00 178.00 179.31 3kh1 h ASP 113 N 0.79 0.30 0.27 -2.05 2.03 -2.00 -2.05 116.42 113.71 3kh1 h ASP 113 Ca 0.42 -0.03 -0.18 0.00 -0.73 0.00 0.00 57.03 56.51 3kh1 h ASP 113 Cb 0.52 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 3kh1 h ASP 113 CO -0.18 0.24 -0.71 1.56 -1.03 0.00 0.00 179.24 179.12 3kh1 h GLN 114 N 0.33 0.38 -0.39 4.15 4.20 -1.61 -2.01 115.11 120.16 3kh1 h GLN 114 Ca 0.09 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.53 3kh1 h GLN 114 Cb -0.01 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3kh1 h GLN 114 CO -0.02 0.94 0.17 0.00 -0.67 0.00 0.00 178.83 179.26 3kh1 h ALA 115 N 0.97 0.47 -0.43 3.87 0.00 -0.59 0.96 119.26 124.51 3kh1 h ALA 115 Ca -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kh1 h ALA 115 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kh1 h ALA 115 CO 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 3kh1 h ALA 116 N 1.22 0.58 0.08 0.00 0.00 -1.30 -2.12 119.26 117.72 3kh1 h ALA 116 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kh1 h ALA 116 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kh1 h ALA 116 CO -0.14 0.40 -0.04 1.49 0.00 0.00 0.00 179.25 180.97 3kh1 h GLU 117 N 0.62 -0.10 -0.00 0.00 4.81 -0.97 -1.27 114.58 117.66 3kh1 h GLU 117 Ca 0.12 0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.14 3kh1 h GLU 117 Cb 0.53 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3kh1 h GLU 117 CO 0.03 0.02 -0.91 1.88 -0.73 0.00 0.00 179.01 179.30 3kh1 h TYR 118 N -0.19 0.53 -0.45 0.92 -1.99 -0.85 -1.03 116.97 113.91 3kh1 h TYR 118 Ca -0.01 -0.29 0.01 0.00 2.00 0.00 0.00 58.73 60.44 3kh1 h TYR 118 Cb 0.16 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 3kh1 h TYR 118 CO -0.04 1.10 0.28 0.77 -0.00 0.00 0.00 178.16 180.27 3kh1 h SER 119 N 0.21 0.48 -0.39 3.88 0.02 -1.35 -1.21 113.55 115.19 3kh1 h SER 119 Ca -0.07 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 3kh1 h SER 119 Cb 1.54 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3kh1 h SER 119 CO 0.15 0.35 -0.07 0.00 -1.14 0.00 0.00 176.83 176.11 3kh1 h ALA 120 N 1.18 1.00 -0.71 3.77 0.00 -1.08 -0.70 119.26 122.72 3kh1 h ALA 120 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kh1 h ALA 120 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3kh1 h ALA 120 CO -0.06 0.60 0.23 1.25 0.00 0.00 0.00 179.25 181.28 3kh1 h LEU 121 N 0.75 1.02 -0.25 0.00 5.85 -0.79 0.11 115.31 122.00 3kh1 h LEU 121 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3kh1 h LEU 121 Cb 0.56 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3kh1 h LEU 121 CO 0.03 0.95 0.06 -0.25 -0.34 0.00 0.00 178.44 178.90 3kh1 h TRP 122 N 1.04 0.43 -0.30 1.25 7.01 -1.01 -1.32 115.95 123.04 3kh1 h TRP 122 Ca 0.23 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 3kh1 h TRP 122 Cb 0.29 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 3kh1 h TRP 122 CO 0.02 0.50 -0.01 1.96 -2.79 0.00 0.00 178.44 178.12 3kh1 h GLN 123 N 0.23 0.45 -0.55 2.65 1.08 -0.76 -1.37 115.11 116.84 3kh1 h GLN 123 Ca 0.08 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3kh1 h GLN 123 Cb 0.29 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3kh1 h GLN 123 CO 0.00 0.49 0.25 1.49 -0.95 0.00 0.00 178.83 180.11 3kh1 h GLU 124 N 0.44 0.81 -0.40 1.46 4.81 -0.52 -0.95 114.58 120.23 3kh1 h GLU 124 Ca 0.10 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3kh1 h GLU 124 Cb 0.30 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3kh1 h GLU 124 CO 0.01 0.68 0.20 -0.92 -0.73 0.00 0.00 179.01 178.24 3kh1 h TYR 125 N 0.75 0.36 -0.33 0.92 3.20 -0.62 -2.63 116.97 118.62 3kh1 h TYR 125 Ca 0.19 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3kh1 h TYR 125 Cb 0.15 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3kh1 h TYR 125 CO 0.00 0.18 -0.07 0.93 -1.64 0.00 0.00 178.16 177.56 3kh1 h GLU 126 N 0.40 0.54 0.00 1.82 4.39 -0.85 -2.63 114.58 118.25 3kh1 h GLU 126 Ca 0.17 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3kh1 h GLU 126 Cb 0.09 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3kh1 h GLU 126 CO -0.13 0.62 -0.31 0.00 -1.16 0.00 0.00 179.01 178.04 3kh1 h ALA 127 N 1.42 1.01 -6.65 3.43 0.00 -0.87 -3.47 119.26 114.12 3kh1 h ALA 127 Ca 0.10 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 3kh1 h ALA 127 Cb 0.44 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 3kh1 h ALA 127 CO 0.02 0.38 -0.85 2.89 0.00 0.00 0.00 179.25 181.69 3kh1 n ARG 128 N -3.47 -3.25 -0.05 0.00 1.85 -0.99 -4.86 116.66 105.90 3kh1 n ARG 128 Ca -0.00 0.38 -0.06 0.00 -1.00 0.00 0.00 57.85 57.18 3kh1 n ARG 128 Cb 0.48 -4.86 -0.05 0.00 -1.05 0.00 0.00 32.46 26.97 3kh1 n ARG 128 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3kh1 n GLU 129 N -4.42 1.35 -1.50 2.89 0.00 -1.26 -4.60 120.64 113.11 3kh1 n GLU 129 Ca -0.08 0.03 -0.31 0.00 0.00 0.00 0.00 57.16 56.81 3kh1 n GLU 129 Cb 0.57 -1.20 0.07 0.00 0.00 0.00 0.00 31.44 30.88 3kh1 n GLU 129 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3kh1 s THR 130 N -2.20 3.55 0.19 6.31 -4.23 -1.26 -4.81 115.64 113.20 3kh1 s THR 130 Ca -0.09 0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 3kh1 s THR 130 Cb 0.03 -3.20 0.10 0.00 1.34 0.00 0.00 72.50 70.78 3kh1 s THR 130 CO 0.27 -0.66 1.75 0.00 -0.54 0.00 0.00 174.62 175.44 3kh1 h ALA 131 N -0.94 0.64 -0.44 3.99 0.00 -1.96 -0.88 119.26 119.67 3kh1 h ALA 131 Ca -0.45 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3kh1 h ALA 131 Cb 1.24 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3kh1 h ALA 131 CO 0.57 -0.21 0.20 -0.44 0.00 0.00 0.00 179.25 179.36 3kh1 h ASP 132 N 0.36 0.58 -0.50 0.00 3.32 -1.92 -2.24 116.42 116.03 3kh1 h ASP 132 Ca 0.25 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3kh1 h ASP 132 Cb 0.28 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kh1 h ASP 132 CO -0.26 0.56 0.11 0.00 -1.72 0.00 0.00 179.24 177.94 3kh1 h ALA 133 N 1.04 1.17 -0.42 3.45 0.00 -1.76 -0.98 119.26 121.76 3kh1 h ALA 133 Ca 0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3kh1 h ALA 133 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kh1 h ALA 133 CO -0.02 0.56 -0.21 0.00 0.00 0.00 0.00 179.25 179.59 3kh1 h ARG 134 N 0.82 0.84 -0.25 0.00 3.08 -1.01 0.32 114.38 118.19 3kh1 h ARG 134 Ca 0.18 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 3kh1 h ARG 134 Cb 0.33 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3kh1 h ARG 134 CO 0.00 0.97 -0.25 0.35 -1.07 0.00 0.00 179.97 179.97 3kh1 h PHE 135 N 0.73 0.73 -0.11 3.04 3.57 -1.14 -0.79 116.94 122.98 3kh1 h PHE 135 Ca 0.10 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.42 3kh1 h PHE 135 Cb 0.73 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3kh1 h PHE 135 CO 0.04 0.94 -0.25 0.00 -2.23 0.00 0.00 178.31 176.81 3kh1 h ALA 136 N 0.68 -0.25 -0.74 2.41 0.00 -1.07 -1.89 119.26 118.39 3kh1 h ALA 136 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kh1 h ALA 136 Cb 0.82 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3kh1 h ALA 136 CO 0.06 -0.72 0.37 0.22 0.00 0.00 0.00 179.25 179.19 3kh1 h ASP 137 N -0.32 0.95 -0.52 0.00 3.58 -0.86 -1.67 116.42 117.57 3kh1 h ASP 137 Ca 0.09 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3kh1 h ASP 137 Cb 0.46 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3kh1 h ASP 137 CO -0.29 0.79 0.33 0.00 -2.88 0.00 0.00 179.24 177.19 3kh1 h ALA 138 N 1.36 0.67 -0.56 -0.78 0.00 -0.81 -0.76 119.26 118.37 3kh1 h ALA 138 Ca 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3kh1 h ALA 138 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kh1 h ALA 138 CO -0.04 0.14 0.07 -0.07 0.00 0.00 0.00 179.25 179.35 3kh1 h LEU 139 N 0.71 0.91 -1.06 0.00 3.38 -1.00 0.40 115.31 118.64 3kh1 h LEU 139 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3kh1 h LEU 139 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3kh1 h LEU 139 CO -0.04 0.95 0.19 -0.78 0.09 0.00 0.00 178.44 178.85 3kh1 h ASP 140 N 0.83 0.79 1.25 -0.43 3.58 -0.95 -1.98 116.42 119.51 3kh1 h ASP 140 Ca 0.17 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 3kh1 h ASP 140 Cb 0.44 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 3kh1 h ASP 140 CO 0.01 0.74 -0.76 0.03 -2.88 0.00 0.00 179.24 176.39 3kh1 h ARG 141 N 0.84 0.00 -0.24 0.28 2.47 -0.91 -3.33 114.38 113.49 3kh1 h ARG 141 Ca 0.19 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.81 3kh1 h ARG 141 Cb 0.23 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 3kh1 h ARG 141 CO -0.01 0.68 -0.27 1.25 0.56 0.00 0.00 179.97 182.17 3kh1 h LEU 142 N 0.00 0.65 -0.74 3.04 5.85 -0.56 -3.35 115.31 120.20 3kh1 h LEU 142 Ca -0.02 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.29 3kh1 h LEU 142 Cb 1.55 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 3kh1 h LEU 142 CO 0.09 1.01 0.40 -0.61 -0.34 0.00 0.00 178.44 178.98 3kh1 h GLN 143 N 0.30 0.68 0.00 1.25 -0.00 -1.48 -0.56 115.11 115.29 3kh1 h GLN 143 Ca 0.03 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 3kh1 h GLN 143 Cb 0.84 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 28.16 3kh1 h GLN 143 CO 0.07 0.45 -0.14 -1.35 0.00 0.00 0.00 178.83 177.86 3kh1 h PRO 144 N 0.70 0.00 -0.29 -2.39 0.11 -1.75 -0.83 132.00 127.55 3kh1 h PRO 144 Ca 0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.40 3kh1 h PRO 144 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3kh1 h PRO 144 CO -0.23 0.14 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.58 3kh1 h LEU 145 N 0.00 0.54 -0.46 2.35 3.38 -1.27 0.04 115.31 119.89 3kh1 h LEU 145 Ca -0.00 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3kh1 h LEU 145 Cb 0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3kh1 h LEU 145 CO 0.02 0.76 0.25 -0.07 0.09 0.00 0.00 178.44 179.49 3kh1 h LEU 146 N 0.31 0.39 0.05 1.67 3.38 -0.87 -0.64 115.31 119.61 3kh1 h LEU 146 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kh1 h LEU 146 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kh1 h LEU 146 CO 0.02 0.28 -0.03 -0.74 0.09 0.00 0.00 178.44 178.07 3kh1 h HIS 147 N 0.51 -0.07 -0.81 1.13 2.76 -1.12 -1.62 115.15 115.93 3kh1 h HIS 147 Ca 0.19 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3kh1 h HIS 147 Cb 0.05 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 3kh1 h HIS 147 CO -0.08 0.05 0.42 -0.91 -1.30 0.00 0.00 177.93 176.11 3kh1 h ASN 148 N -0.17 1.02 -0.36 3.26 2.35 -0.85 -0.60 115.58 120.22 3kh1 h ASN 148 Ca -0.01 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3kh1 h ASN 148 Cb 0.15 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3kh1 h ASN 148 CO 0.01 0.83 0.08 0.15 -1.65 0.00 0.00 177.43 176.85 3kh1 h PHE 149 N 1.14 0.62 -0.58 1.19 3.04 -1.01 0.23 116.94 121.57 3kh1 h PHE 149 Ca 0.28 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.14 3kh1 h PHE 149 Cb 0.06 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 3kh1 h PHE 149 CO 0.01 0.62 0.32 1.49 -2.02 0.00 0.00 178.31 178.73 3kh1 h GLU 150 N 0.44 0.79 -0.67 1.11 4.57 -0.83 -2.62 114.58 117.37 3kh1 h GLU 150 Ca 0.11 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3kh1 h GLU 150 Cb 0.33 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 3kh1 h GLU 150 CO 0.00 0.58 0.00 0.25 -1.18 0.00 0.00 179.01 178.66 3kh1 n THR 151 N -4.39 1.51 -3.69 0.32 -2.24 -0.27 -4.96 114.28 100.55 3kh1 n THR 151 Ca 0.05 -1.06 -0.23 0.00 -2.27 0.00 0.00 64.05 60.54 3kh1 n THR 151 Cb 0.10 0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.57 3kh1 n THR 151 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kh1 n GLU 152 N 1.20 -5.78 -1.75 -0.78 1.02 -0.45 -2.90 120.64 111.21 3kh1 n GLU 152 Ca 0.24 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 3kh1 n GLU 152 Cb 0.78 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 3kh1 n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kh1 n GLY 153 N -1.58 0.73 0.28 0.62 0.00 0.70 -4.65 105.19 101.29 3kh1 n GLY 153 Ca -0.17 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.29 3kh1 n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kh1 h GLY 154 N 0.00 0.00 0.00 -0.02 0.00 -1.68 -0.56 103.07 100.81 3kh1 h GLY 154 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3kh1 h GLY 154 CO 0.00 0.00 -2.45 2.41 0.00 0.00 0.00 176.54 176.50 3kh1 n THR 155 N -3.76 1.45 0.01 4.70 -1.04 -1.26 -4.41 114.28 109.96 3kh1 n THR 155 Ca -0.02 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.38 3kh1 n THR 155 Cb 0.15 -1.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 3kh1 n THR 155 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 3kh1 h TRP 156 N -0.25 -0.22 0.23 -1.42 6.55 -1.84 -2.99 115.95 116.01 3kh1 h TRP 156 Ca -0.59 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.25 3kh1 h TRP 156 Cb 1.80 0.11 0.00 0.00 -0.86 0.00 0.00 29.16 30.21 3kh1 h TRP 156 CO -0.00 -0.14 -0.11 0.87 -1.05 0.00 0.00 178.44 178.01 3kh1 h LYS 157 N -0.12 -0.30 0.00 0.49 1.57 -1.32 0.11 116.57 117.00 3kh1 h LYS 157 Ca 0.07 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3kh1 h LYS 157 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kh1 h LYS 157 CO -0.16 -0.16 0.00 -0.35 -0.57 0.00 0.00 179.45 178.22 3kh1 n PRO 158 N -5.20 0.19 -0.26 3.15 -0.04 -1.22 -2.02 135.00 129.60 3kh1 n PRO 158 Ca -0.09 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 3kh1 n PRO 158 Cb 0.16 -1.92 0.23 0.00 -0.04 0.00 0.00 33.50 31.93 3kh1 n PRO 158 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kh1 n HIS 159 N -2.29 0.69 -3.03 0.54 8.25 -1.04 -4.98 115.22 113.37 3kh1 n HIS 159 Ca 0.01 -0.47 -0.22 0.00 -0.26 0.00 0.00 57.72 56.77 3kh1 n HIS 159 Cb 0.17 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.30 3kh1 n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kh1 n GLY 160 N 1.09 -0.52 3.77 -1.41 0.00 -0.65 -4.95 105.19 102.52 3kh1 n GLY 160 Ca 0.18 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 3kh1 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh1 s VAL 161 N -3.15 3.60 0.34 1.61 1.01 -0.07 -5.03 120.40 118.72 3kh1 s VAL 161 Ca 0.30 1.46 0.09 0.00 0.00 0.00 0.00 61.98 63.83 3kh1 s VAL 161 Cb -0.14 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3kh1 s VAL 161 CO 0.37 0.24 0.02 0.42 0.00 0.00 0.00 175.10 176.14 3kh1 s THR 162 N -1.35 2.65 0.25 3.92 -4.23 -1.26 -3.66 115.64 111.96 3kh1 s THR 162 Ca 0.49 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3kh1 s THR 162 Cb -0.28 -2.80 0.22 0.00 1.34 0.00 0.00 72.50 70.97 3kh1 s THR 162 CO 0.35 -0.20 1.80 -0.09 -0.54 0.00 0.00 174.62 175.94 3kh1 h ARG 163 N 1.80 0.72 -0.60 3.99 2.43 -0.96 -2.28 114.38 119.49 3kh1 h ARG 163 Ca -0.43 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.81 3kh1 h ARG 163 Cb 1.25 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 3kh1 h ARG 163 CO 0.67 0.48 0.09 0.00 -1.51 0.00 0.00 179.97 179.70 3kh1 h ALA 164 N 1.47 0.68 -0.30 2.80 0.00 -1.88 0.43 119.26 122.45 3kh1 h ALA 164 Ca 0.41 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 3kh1 h ALA 164 Cb 0.42 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kh1 h ALA 164 CO -0.27 -0.33 -0.40 0.87 0.00 0.00 0.00 179.25 179.12 3kh1 h LYS 165 N 0.22 0.73 -0.09 0.00 6.56 -1.83 -2.10 116.57 120.05 3kh1 h LYS 165 Ca 0.31 -0.38 -0.09 0.00 -1.06 0.00 0.00 60.65 59.44 3kh1 h LYS 165 Cb 0.48 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3kh1 h LYS 165 CO -0.43 0.99 -0.28 0.28 -2.06 0.00 0.00 179.45 177.95 3kh1 h VAL 166 N 0.60 1.40 -0.68 0.50 2.07 -1.07 -3.18 116.25 115.89 3kh1 h VAL 166 Ca 0.05 -1.63 0.08 0.00 0.82 0.00 0.00 66.70 66.02 3kh1 h VAL 166 Cb 0.94 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 3kh1 h VAL 166 CO 0.09 0.47 0.45 0.44 0.02 0.00 0.00 177.57 179.03 3kh1 h ASP 167 N -0.11 0.55 -0.01 0.57 3.32 -0.10 -0.99 116.42 119.65 3kh1 h ASP 167 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kh1 h ASP 167 Cb 0.90 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 3kh1 h ASP 167 CO 0.06 0.34 0.01 0.11 -1.72 0.00 0.00 179.24 178.04 3kh1 h LYS 168 N 0.61 0.00 0.00 3.56 6.56 -1.35 -2.39 116.57 123.56 3kh1 h LYS 168 Ca 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 3kh1 h LYS 168 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3kh1 h LYS 168 CO -0.10 0.00 -0.91 -0.07 -2.06 0.00 0.00 179.45 176.31 3kh1 h LEU 169 N 0.00 0.00 -1.44 2.94 3.38 -1.26 -3.39 115.31 115.55 3kh1 h LEU 169 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3kh1 h LEU 169 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3kh1 h LEU 169 CO -0.00 0.01 0.45 -0.07 0.09 0.00 0.00 178.44 178.93 3kh1 h LEU 170 N 0.00 0.59 -2.28 1.67 3.38 -1.29 -0.57 115.31 116.81 3kh1 h LEU 170 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kh1 h LEU 170 Cb 0.97 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kh1 h LEU 170 CO 0.00 0.38 -0.05 -0.65 0.09 0.00 0.00 178.44 178.21 3kh1 h PRO 171 N 0.67 0.00 -0.09 1.13 0.11 -1.76 -0.63 132.00 131.44 3kh1 h PRO 171 Ca 0.30 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 3kh1 h PRO 171 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3kh1 h PRO 171 CO -0.10 0.05 -0.42 0.00 -0.21 0.00 0.00 178.00 177.31 3kh1 h ARG 172 N 0.00 0.19 -0.06 1.05 3.08 -1.39 -0.59 114.38 116.67 3kh1 h ARG 172 Ca -0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 3kh1 h ARG 172 Cb 0.13 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3kh1 h ARG 172 CO 0.01 0.59 -0.45 0.82 -1.07 0.00 0.00 179.97 179.86 3kh1 h ILE 173 N 0.16 1.41 -0.93 2.04 2.04 -1.20 -3.18 117.51 117.85 3kh1 h ILE 173 Ca 0.01 -1.86 0.09 0.00 1.00 0.00 0.00 64.86 64.11 3kh1 h ILE 173 Cb 0.82 2.37 -0.07 0.00 -0.74 0.00 0.00 36.82 39.20 3kh1 h ILE 173 CO 0.06 0.54 0.60 -0.08 0.00 0.00 0.00 178.15 179.27 3kh1 h GLU 174 N -0.07 0.93 0.00 2.37 4.57 -1.23 -1.28 114.58 119.88 3kh1 h GLU 174 Ca -0.04 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3kh1 h GLU 174 Cb 1.12 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3kh1 h GLU 174 CO 0.09 0.62 -0.11 0.00 -1.18 0.00 0.00 179.01 178.43 3kh1 h ALA 175 N 1.53 1.73 0.00 2.92 0.00 -1.08 -2.67 119.26 121.69 3kh1 h ALA 175 Ca 0.43 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 3kh1 h ALA 175 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3kh1 h ALA 175 CO -0.19 0.13 -1.56 0.78 0.00 0.00 0.00 179.25 178.42 3kh1 h GLY 176 N 0.36 0.00 -5.48 0.00 0.00 -1.27 -3.45 103.07 93.23 3kh1 h GLY 176 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3kh1 h GLY 176 CO 0.01 0.00 0.19 -0.45 0.00 0.00 0.00 176.54 176.29 3kh1 s SER 177 N -6.10 -0.68 0.30 0.19 0.15 -0.65 -4.40 113.70 102.50 3kh1 s SER 177 Ca -0.04 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.58 3kh1 s SER 177 Cb 0.08 1.66 0.46 0.00 -1.71 0.00 0.00 66.02 66.51 3kh1 s SER 177 CO 0.82 -0.14 1.91 0.11 1.20 0.00 0.00 173.24 177.14 3kh1 h LYS 178 N 7.25 0.92 -0.14 5.44 1.79 -1.83 -0.23 116.57 129.77 3kh1 h LYS 178 Ca -0.19 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 3kh1 h LYS 178 Cb 1.14 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3kh1 h LYS 178 CO 0.11 0.70 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.99 3kh1 h ARG 179 N 0.93 0.32 -0.25 3.15 9.65 -1.92 -1.07 114.38 125.19 3kh1 h ARG 179 Ca 0.23 -0.16 -0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3kh1 h ARG 179 Cb 0.07 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 3kh1 h ARG 179 CO -0.03 0.68 -0.21 -0.07 2.80 0.00 0.00 179.97 183.14 3kh1 h LEU 180 N -0.04 0.46 -0.52 3.80 3.38 -1.86 -1.57 115.31 118.96 3kh1 h LEU 180 Ca 0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kh1 h LEU 180 Cb 0.61 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3kh1 h LEU 180 CO 0.03 0.67 0.31 1.23 0.09 0.00 0.00 178.44 180.77 3kh1 h GLY 181 N 0.98 0.73 1.04 0.83 0.00 -0.86 -0.22 103.07 105.56 3kh1 h GLY 181 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3kh1 h GLY 181 CO 0.04 0.19 0.16 0.00 0.00 0.00 0.00 176.54 176.94 3kh1 h ALA 182 N 1.23 0.85 -0.29 3.60 0.00 -0.89 -0.16 119.26 123.60 3kh1 h ALA 182 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kh1 h ALA 182 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kh1 h ALA 182 CO -0.09 0.57 0.18 -0.92 0.00 0.00 0.00 179.25 178.99 3kh1 h TYR 183 N 0.96 0.37 -0.56 0.00 5.03 -1.03 -2.08 116.97 119.65 3kh1 h TYR 183 Ca 0.20 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 3kh1 h TYR 183 Cb 0.36 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 3kh1 h TYR 183 CO 0.03 0.24 0.31 0.00 -1.32 0.00 0.00 178.16 177.42 3kh1 h ALA 184 N 1.09 0.72 -0.38 1.82 0.00 -0.65 -0.64 119.26 121.23 3kh1 h ALA 184 Ca 0.10 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kh1 h ALA 184 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3kh1 h ALA 184 CO -0.02 0.23 0.20 0.00 0.00 0.00 0.00 179.25 179.66 3kh1 h ARG 185 N 0.75 0.39 -0.56 0.00 3.08 -0.86 -0.57 114.38 116.61 3kh1 h ARG 185 Ca 0.20 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3kh1 h ARG 185 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kh1 h ARG 185 CO -0.03 0.26 0.09 0.00 -1.07 0.00 0.00 179.97 179.22 3kh1 h ALA 186 N 1.19 1.10 -0.52 0.04 0.00 -1.12 -1.72 119.26 118.22 3kh1 h ALA 186 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kh1 h ALA 186 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kh1 h ALA 186 CO -0.10 0.59 0.24 1.25 0.00 0.00 0.00 179.25 181.24 3kh1 h LEU 187 N 0.85 0.68 -0.52 0.00 6.46 -0.61 -1.88 115.31 120.28 3kh1 h LEU 187 Ca 0.18 -0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.69 3kh1 h LEU 187 Cb 0.38 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 3kh1 h LEU 187 CO 0.01 0.63 -0.11 0.58 -0.62 0.00 0.00 178.44 178.93 3kh1 h VAL 188 N 0.69 1.27 -0.47 1.05 2.07 -0.84 0.21 116.25 120.22 3kh1 h VAL 188 Ca 0.18 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 3kh1 h VAL 188 Cb 0.13 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3kh1 h VAL 188 CO -0.02 0.44 0.16 0.44 0.02 0.00 0.00 177.57 178.61 3kh1 h ASP 189 N 0.87 0.68 -0.48 0.57 3.32 -1.25 -0.92 116.42 119.21 3kh1 h ASP 189 Ca 0.14 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3kh1 h ASP 189 Cb 0.67 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3kh1 h ASP 189 CO 0.05 0.69 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.08 3kh1 h GLU 190 N 0.63 0.95 -0.62 3.56 4.57 -1.11 -1.31 114.58 121.25 3kh1 h GLU 190 Ca 0.15 -0.33 0.07 0.00 -1.18 0.00 0.00 59.36 58.08 3kh1 h GLU 190 Cb 0.24 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 3kh1 h GLU 190 CO -0.01 0.99 0.29 0.00 -1.18 0.00 0.00 179.01 179.11 3kh1 h ALA 191 N 1.03 0.81 -0.29 2.92 0.00 -0.23 0.10 119.26 123.60 3kh1 h ALA 191 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kh1 h ALA 191 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kh1 h ALA 191 CO 0.04 -0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.46 3kh1 h VAL 192 N 0.53 1.27 -0.92 0.00 2.07 -0.98 -0.09 116.25 118.13 3kh1 h VAL 192 Ca 0.29 -1.00 0.11 0.00 0.82 0.00 0.00 66.70 66.93 3kh1 h VAL 192 Cb 0.27 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 3kh1 h VAL 192 CO -0.23 0.32 0.55 -0.09 0.02 0.00 0.00 177.57 178.14 3kh1 h ARG 193 N 0.31 0.85 -0.00 1.57 2.43 -0.80 -1.43 114.38 117.32 3kh1 h ARG 193 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kh1 h ARG 193 Cb 0.48 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3kh1 h ARG 193 CO 0.02 0.56 -0.08 0.54 -1.51 0.00 0.00 179.97 179.50 3kh1 n ARG 194 N -4.70 0.44 -1.02 0.20 1.74 -0.02 -4.93 116.66 108.38 3kh1 n ARG 194 Ca 0.17 -0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 3kh1 n ARG 194 Cb 0.34 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3kh1 n ARG 194 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kh1 n GLY 195 N 1.33 0.46 0.14 -0.13 0.00 -0.54 -4.93 105.19 101.52 3kh1 n GLY 195 Ca 0.13 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.32 3kh1 n GLY 195 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kh1 h TYR 196 N 0.00 0.00 -3.28 1.61 0.05 -1.27 -3.44 116.97 110.63 3kh1 h TYR 196 Ca -0.02 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.28 3kh1 h TYR 196 Cb 0.06 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.44 3kh1 h TYR 196 CO 0.03 0.57 -0.79 -1.17 -1.05 0.00 0.00 178.16 175.75 3kh1 s LEU 197 N -6.65 1.14 0.45 3.88 2.96 -1.16 -4.15 118.68 115.14 3kh1 s LEU 197 Ca 0.02 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 3kh1 s LEU 197 Cb 0.09 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 46.02 3kh1 s LEU 197 CO 0.75 -0.10 1.44 0.00 -1.32 0.00 0.00 176.35 177.11 3kh1 s ALA 198 N 1.47 3.25 -2.00 5.97 0.00 -1.24 -4.34 121.76 124.88 3kh1 s ALA 198 Ca -0.01 1.48 0.17 0.00 0.00 0.00 0.00 51.96 53.61 3kh1 s ALA 198 Cb -0.13 -3.60 1.03 0.00 0.00 0.00 0.00 23.12 20.42 3kh1 s ALA 198 CO -0.04 -1.21 1.43 -0.35 0.00 0.00 0.00 175.76 175.59