#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nk7 n THR 2 N 0.00 -1.21 -1.71 2.03 -1.04 -1.26 -4.81 114.28 106.29 3nk7 n THR 2 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3nk7 n THR 2 Cb 0.00 -2.07 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 3nk7 n THR 2 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3nk7 n GLU 3 N -3.94 2.53 -1.68 -2.82 -0.00 -1.26 -4.75 120.64 108.72 3nk7 n GLU 3 Ca -0.01 0.91 -0.64 0.00 -0.00 0.00 0.00 57.16 57.42 3nk7 n GLU 3 Cb 0.54 -2.71 -0.09 0.00 -0.00 0.00 0.00 31.44 29.18 3nk7 n GLU 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3nk7 n PRO 4 N 3.28 0.15 -0.33 3.44 -0.02 -1.26 -4.79 135.00 135.47 3nk7 n PRO 4 Ca 0.14 0.06 0.28 0.00 -2.02 0.00 0.00 63.50 61.96 3nk7 n PRO 4 Cb 0.33 -1.58 0.61 0.00 -0.02 0.00 0.00 33.50 32.84 3nk7 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nk7 h ALA 5 N 4.76 2.58 0.00 3.55 0.00 -2.02 -2.39 119.26 125.75 3nk7 h ALA 5 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3nk7 h ALA 5 Cb 1.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3nk7 h ALA 5 CO 0.90 -0.98 0.00 0.82 0.00 0.00 0.00 179.25 179.98 3nk7 h ILE 6 N 0.23 0.00 -3.10 0.00 2.04 -1.97 -3.44 117.51 111.28 3nk7 h ILE 6 Ca 0.60 -0.41 -0.56 0.00 1.00 0.00 0.00 64.86 65.50 3nk7 h ILE 6 Cb 1.85 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 39.22 3nk7 h ILE 6 CO -0.20 0.00 0.71 -0.63 0.00 0.00 0.00 178.15 178.02 3nk7 s ILE 7 N -3.55 4.40 -0.15 -0.67 1.01 -0.90 -4.47 121.20 116.87 3nk7 s ILE 7 Ca 0.02 1.70 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 3nk7 s ILE 7 Cb 0.09 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3nk7 s ILE 7 CO 0.49 -0.03 1.93 -0.89 0.00 0.00 0.00 174.94 176.44 3nk7 s THR 8 N 2.41 3.25 -0.17 2.92 2.01 0.40 -4.78 115.64 121.69 3nk7 s THR 8 Ca 0.53 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.82 3nk7 s THR 8 Cb -0.22 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 3nk7 s THR 8 CO 0.19 -0.11 -0.16 0.59 -0.69 0.00 0.00 174.62 174.43 3nk7 n ASN 9 N 9.34 2.46 -4.78 3.53 5.03 -1.26 -1.65 115.26 127.94 3nk7 n ASN 9 Ca 0.23 -0.04 -0.37 0.00 0.87 0.00 0.00 54.58 55.27 3nk7 n ASN 9 Cb 0.44 -0.31 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 3nk7 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nk7 s ALA 10 N -2.34 3.03 -0.61 5.41 0.00 -1.26 -4.91 121.76 121.09 3nk7 s ALA 10 Ca -0.23 0.80 0.25 0.00 0.00 0.00 0.00 51.96 52.78 3nk7 s ALA 10 Cb 0.07 -3.32 0.74 0.00 0.00 0.00 0.00 23.12 20.61 3nk7 s ALA 10 CO 0.38 -0.40 1.74 0.66 0.00 0.00 0.00 175.76 178.14 3nk7 h SER 11 N 2.27 0.00 -0.41 0.00 4.64 -2.02 -3.29 113.55 114.73 3nk7 h SER 11 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3nk7 h SER 11 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3nk7 h SER 11 CO 0.61 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.04 3nk7 n ASP 12 N -2.49 3.98 -4.66 4.97 10.43 -1.26 -4.26 116.55 123.26 3nk7 n ASP 12 Ca 0.05 -2.57 -0.37 0.00 2.57 0.00 0.00 54.79 54.46 3nk7 n ASP 12 Cb 0.43 -0.47 0.06 0.00 1.84 0.00 0.00 41.12 42.97 3nk7 n ASP 12 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3nk7 n PRO 13 N 0.30 0.98 -0.36 -0.24 -0.02 -1.24 -4.72 135.00 129.70 3nk7 n PRO 13 Ca 0.20 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3nk7 n PRO 13 Cb 0.78 -2.32 0.10 0.00 -0.02 0.00 0.00 33.50 32.04 3nk7 n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nk7 n ALA 14 N -1.83 0.11 -0.13 3.55 0.00 -1.26 -1.52 120.51 119.43 3nk7 n ALA 14 Ca 0.15 1.03 -0.10 0.00 0.00 0.00 0.00 53.44 54.52 3nk7 n ALA 14 Cb 0.48 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 3nk7 n ALA 14 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3nk7 h VAL 15 N 0.00 1.21 0.10 0.00 -1.51 -1.97 1.23 116.25 115.30 3nk7 h VAL 15 Ca 0.42 -0.68 0.02 0.00 -1.23 0.00 0.00 66.70 65.23 3nk7 h VAL 15 Cb 0.66 0.95 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 3nk7 h VAL 15 CO -0.98 0.24 -0.43 -0.61 -1.23 0.00 0.00 177.57 174.56 3nk7 h GLN 16 N 0.45 -0.62 -0.38 5.19 5.75 -1.66 0.41 115.11 124.24 3nk7 h GLN 16 Ca 0.12 0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3nk7 h GLN 16 Cb 0.24 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3nk7 h GLN 16 CO -0.00 -0.41 0.10 -0.09 -2.65 0.00 0.00 178.83 175.77 3nk7 h ARG 17 N -0.65 0.56 -0.37 1.69 2.43 -0.90 0.16 114.38 117.31 3nk7 h ARG 17 Ca 0.02 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3nk7 h ARG 17 Cb 0.68 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3nk7 h ARG 17 CO -0.26 0.51 0.13 0.97 -1.51 0.00 0.00 179.97 179.81 3nk7 h ILE 18 N 0.55 1.15 -0.03 1.20 2.10 0.21 0.46 117.51 123.15 3nk7 h ILE 18 Ca 0.13 -0.48 -0.23 0.00 1.08 0.00 0.00 64.86 65.35 3nk7 h ILE 18 Cb 0.19 0.73 0.01 0.00 -1.09 0.00 0.00 36.82 36.66 3nk7 h ILE 18 CO -0.01 0.18 -0.93 0.40 -1.08 0.00 0.00 178.15 176.72 3nk7 h ILE 19 N 0.52 1.34 -0.66 2.19 2.04 0.14 -2.61 117.51 120.47 3nk7 h ILE 19 Ca 0.13 -2.29 0.08 0.00 1.00 0.00 0.00 64.86 63.78 3nk7 h ILE 19 Cb 0.13 2.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 3nk7 h ILE 19 CO -0.01 0.70 0.33 0.44 0.00 0.00 0.00 178.15 179.61 3nk7 h ASP 20 N 0.33 0.45 -0.35 1.72 3.32 -0.36 -2.80 116.42 118.73 3nk7 h ASP 20 Ca -0.08 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.09 3nk7 h ASP 20 Cb 1.56 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.99 3nk7 h ASP 20 CO 0.17 0.28 -0.27 0.58 -1.72 0.00 0.00 179.24 178.28 3nk7 h VAL 21 N 0.59 0.32 -0.05 -1.35 2.07 -0.54 0.42 116.25 117.71 3nk7 h VAL 21 Ca 0.32 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 3nk7 h VAL 21 Cb 0.29 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3nk7 h VAL 21 CO -0.23 0.00 0.03 0.71 0.02 0.00 0.00 177.57 178.10 3nk7 h THR 22 N -0.23 1.04 -0.65 2.57 1.35 -1.44 -1.81 112.91 113.75 3nk7 h THR 22 Ca 0.17 -0.11 0.13 0.00 -0.55 0.00 0.00 66.41 66.05 3nk7 h THR 22 Cb 0.49 1.02 -0.10 0.00 -1.73 0.00 0.00 68.15 67.83 3nk7 h THR 22 CO -0.48 0.04 0.11 0.11 -0.25 0.00 0.00 175.52 175.05 3nk7 h LYS 23 N 0.04 0.21 -0.04 4.72 1.57 -0.95 0.33 116.57 122.45 3nk7 h LYS 23 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3nk7 h LYS 23 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3nk7 h LYS 23 CO -0.00 0.14 0.00 0.72 -0.57 0.00 0.00 179.45 179.74 3nk7 n HIS 24 N -5.18 0.05 -1.95 -1.35 8.25 0.13 -5.11 115.22 110.06 3nk7 n HIS 24 Ca 0.11 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 3nk7 n HIS 24 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3nk7 n HIS 24 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3nk7 n SER 25 N -0.52 -2.86 0.00 0.41 7.64 0.12 -5.04 113.62 113.36 3nk7 n SER 25 Ca 0.15 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.25 3nk7 n SER 25 Cb 0.13 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 3nk7 n SER 25 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3nk7 n ILE 29 N 1.84 0.00 -2.09 0.44 5.41 -1.26 -4.80 119.36 118.90 3nk7 n ILE 29 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3nk7 n ILE 29 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3nk7 n ILE 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3nk7 n LYS 30 N 0.00 3.30 -4.17 0.38 5.02 -1.26 -4.94 118.16 116.49 3nk7 n LYS 30 Ca 0.00 -3.15 -0.16 0.00 -2.02 0.00 0.00 58.31 52.98 3nk7 n LYS 30 Cb 0.00 -3.08 -0.13 0.00 -0.02 0.00 0.00 35.03 31.80 3nk7 n LYS 30 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3nk7 s THR 31 N 1.56 0.69 0.31 -0.18 -4.23 -1.26 -0.26 115.64 112.28 3nk7 s THR 31 Ca 0.43 -0.84 0.10 0.00 -1.18 0.00 0.00 61.69 60.20 3nk7 s THR 31 Cb 0.11 -0.67 -0.06 0.00 1.34 0.00 0.00 72.50 73.22 3nk7 s THR 31 CO -0.03 -0.14 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.91 3nk7 s THR 32 N -0.90 2.48 -0.13 3.99 2.01 0.21 -4.85 115.64 118.44 3nk7 s THR 32 Ca -0.03 -2.22 -0.14 0.00 0.31 0.00 0.00 61.69 59.61 3nk7 s THR 32 Cb -0.07 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 3nk7 s THR 32 CO 0.01 -0.29 0.31 -0.22 -0.69 0.00 0.00 174.62 173.74 3nk7 s LEU 33 N -3.60 4.29 -0.08 4.42 2.96 -1.26 -0.25 118.68 125.16 3nk7 s LEU 33 Ca 0.32 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 3nk7 s LEU 33 Cb -0.01 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.28 3nk7 s LEU 33 CO 0.17 0.15 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.52 3nk7 s ILE 34 N 0.15 1.71 0.10 6.68 1.01 0.60 -4.97 121.20 126.49 3nk7 s ILE 34 Ca 0.18 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.08 3nk7 s ILE 34 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3nk7 s ILE 34 CO 0.06 0.48 -0.10 -1.61 0.00 0.00 0.00 174.94 173.77 3nk7 s GLU 35 N 0.40 2.15 0.00 2.79 2.02 -1.26 -0.52 118.70 124.27 3nk7 s GLU 35 Ca -0.16 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3nk7 s GLU 35 Cb -0.17 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.75 3nk7 s GLU 35 CO 0.06 0.51 0.00 -0.25 0.02 0.00 0.00 175.26 175.61 3nk7 n ASP 36 N 0.76 0.00 -0.03 -0.19 8.00 -0.53 -4.32 116.55 120.24 3nk7 n ASP 36 Ca -0.14 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 3nk7 n ASP 36 Cb 0.52 0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 3nk7 n ASP 36 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3nk7 h THR 37 N 0.00 1.06 -0.05 -3.53 2.02 -1.97 -1.88 112.91 108.56 3nk7 h THR 37 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3nk7 h THR 37 Cb 0.00 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3nk7 h THR 37 CO 0.00 0.06 -0.01 -0.33 0.37 0.00 0.00 175.52 175.60 3nk7 h GLU 38 N 0.22 0.10 -0.91 6.66 4.39 -1.95 -1.38 114.58 121.70 3nk7 h GLU 38 Ca 0.06 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3nk7 h GLU 38 Cb -0.00 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3nk7 h GLU 38 CO -0.01 0.44 0.59 -1.35 -1.16 0.00 0.00 179.01 177.51 3nk7 h PRO 39 N -0.25 1.21 -1.01 2.33 0.11 -1.70 0.71 132.00 133.41 3nk7 h PRO 39 Ca 0.01 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.06 3nk7 h PRO 39 Cb 0.40 -0.27 -0.06 0.00 0.11 0.00 0.00 31.00 31.19 3nk7 h PRO 39 CO 0.01 0.82 0.66 -0.07 -0.21 0.00 0.00 178.00 179.21 3nk7 h LEU 40 N 1.24 1.12 -0.42 2.35 3.38 -1.22 -0.20 115.31 121.57 3nk7 h LEU 40 Ca 0.33 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3nk7 h LEU 40 Cb -0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 3nk7 h LEU 40 CO -0.07 0.79 -0.64 0.24 0.09 0.00 0.00 178.44 178.85 3nk7 h MET 41 N 1.31 0.55 -0.42 1.13 2.86 -0.39 -1.62 114.93 118.35 3nk7 h MET 41 Ca 0.39 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3nk7 h MET 41 Cb -0.06 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3nk7 h MET 41 CO -0.11 1.01 -0.06 1.49 1.06 0.00 0.00 176.91 180.31 3nk7 h GLU 42 N 0.40 0.77 -0.49 1.72 4.57 -0.54 -1.59 114.58 119.42 3nk7 h GLU 42 Ca -0.01 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3nk7 h GLU 42 Cb 1.21 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3nk7 h GLU 42 CO 0.12 0.88 0.31 0.00 -1.18 0.00 0.00 179.01 179.14 3nk7 h ILE 44 N 0.66 1.19 -0.57 0.00 2.04 -1.28 -1.01 117.51 118.55 3nk7 h ILE 44 Ca 0.18 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3nk7 h ILE 44 Cb -0.05 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3nk7 h ILE 44 CO -0.04 0.22 0.30 -0.09 0.00 0.00 0.00 178.15 178.54 3nk7 h ARG 45 N 0.56 0.57 0.00 2.37 2.43 -0.90 -1.61 114.38 117.79 3nk7 h ARG 45 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3nk7 h ARG 45 Cb 0.16 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3nk7 h ARG 45 CO -0.01 0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 3nk7 n ALA 46 N -2.33 1.69 -0.05 2.80 0.00 0.44 -4.84 120.51 118.21 3nk7 n ALA 46 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3nk7 n ALA 46 Cb 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3nk7 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nk7 n GLY 47 N 0.02 0.98 3.77 0.00 0.00 -0.60 -4.93 105.19 104.42 3nk7 n GLY 47 Ca 0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3nk7 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nk7 s VAL 48 N -2.00 2.75 -0.22 1.61 1.01 -0.44 -4.97 120.40 118.15 3nk7 s VAL 48 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 3nk7 s VAL 48 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3nk7 s VAL 48 CO 0.00 0.18 0.42 0.00 0.00 0.00 0.00 175.10 175.70 3nk7 s GLN 49 N -1.77 4.14 0.00 2.72 0.00 -1.26 -4.59 119.66 118.90 3nk7 s GLN 49 Ca 0.49 0.22 -0.02 0.00 -0.00 0.00 0.00 55.36 56.05 3nk7 s GLN 49 Cb -0.39 -3.57 -0.04 0.00 0.00 0.00 0.00 33.01 29.01 3nk7 s GLN 49 CO 0.52 -0.12 0.18 -0.06 0.00 0.00 0.00 175.29 175.82 3nk7 s PHE 50 N 1.56 3.53 -0.11 9.60 0.40 -1.26 -0.97 117.98 130.72 3nk7 s PHE 50 Ca 0.19 0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.94 3nk7 s PHE 50 Cb -0.15 -1.81 -0.24 0.00 0.51 0.00 0.00 43.02 41.33 3nk7 s PHE 50 CO 0.09 0.63 0.39 -0.89 0.70 0.00 0.00 175.22 176.14 3nk7 n ILE 51 N 0.83 1.60 -3.63 0.64 5.41 0.08 -4.95 119.36 119.33 3nk7 n ILE 51 Ca -0.10 -0.75 -0.04 0.00 1.00 0.00 0.00 62.75 62.85 3nk7 n ILE 51 Cb 0.52 -1.12 -0.05 0.00 -0.71 0.00 0.00 39.64 38.28 3nk7 n ILE 51 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3nk7 s GLU 52 N -2.56 0.19 -0.05 0.38 2.12 -1.21 -4.61 118.70 112.96 3nk7 s GLU 52 Ca -0.13 0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.34 3nk7 s GLU 52 Cb 0.07 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 3nk7 s GLU 52 CO 0.79 -0.05 -0.19 0.08 -0.54 0.00 0.00 175.26 175.36 3nk7 s VAL 53 N -0.70 2.67 0.05 3.70 1.01 -0.48 -1.11 120.40 125.54 3nk7 s VAL 53 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3nk7 s VAL 53 Cb -0.02 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3nk7 s VAL 53 CO -0.08 0.58 -0.17 -0.31 0.00 0.00 0.00 175.10 175.13 3nk7 s TYR 54 N -0.56 1.45 0.11 5.22 1.51 0.19 -1.39 117.35 123.87 3nk7 s TYR 54 Ca 0.08 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.83 3nk7 s TYR 54 Cb -0.11 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3nk7 s TYR 54 CO 0.01 0.07 -0.15 0.20 -1.11 0.00 0.00 175.55 174.56 3nk7 s GLY 55 N -1.25 1.06 0.26 0.71 0.00 -0.92 -0.54 107.32 106.64 3nk7 s GLY 55 Ca 0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 3nk7 s GLY 55 CO 0.02 -1.26 1.29 -0.56 0.00 0.00 0.00 173.10 172.58 3nk7 s SER 56 N -2.20 6.90 0.49 1.64 0.01 -0.28 -1.15 113.70 119.11 3nk7 s SER 56 Ca 0.06 2.49 -0.24 0.00 1.31 0.00 0.00 55.95 59.58 3nk7 s SER 56 Cb -0.07 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 3nk7 s SER 56 CO 0.03 -0.48 1.36 -1.54 0.41 0.00 0.00 173.24 173.01 3nk7 n SER 57 N 1.80 2.83 0.00 2.44 3.41 -0.62 -3.06 113.62 120.42 3nk7 n SER 57 Ca 0.03 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3nk7 n SER 57 Cb 0.43 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 3nk7 n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nk7 n GLY 58 N 0.72 2.98 3.17 5.00 0.00 -1.26 -4.18 105.19 111.63 3nk7 n GLY 58 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3nk7 n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nk7 s THR 59 N -2.65 1.36 0.34 2.61 -1.32 -1.17 -5.12 115.64 109.70 3nk7 s THR 59 Ca 0.00 -0.86 -0.29 0.00 -1.21 0.00 0.00 61.69 59.33 3nk7 s THR 59 Cb 0.00 -1.16 -0.11 0.00 -1.51 0.00 0.00 72.50 69.72 3nk7 s THR 59 CO 0.00 0.29 1.54 -2.84 -2.21 0.00 0.00 174.62 171.40 3nk7 s PRO 60 N -0.67 4.11 0.22 7.08 0.02 -1.26 -4.83 135.00 139.67 3nk7 s PRO 60 Ca 0.06 2.59 -0.26 0.00 0.02 0.00 0.00 61.00 63.41 3nk7 s PRO 60 Cb -0.07 -2.99 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 3nk7 s PRO 60 CO 0.00 -0.59 0.84 -0.51 -0.33 0.00 0.00 177.00 176.42 3nk7 s LEU 61 N -1.39 4.54 0.07 -5.54 1.43 -1.26 -5.00 118.68 111.54 3nk7 s LEU 61 Ca 0.58 1.74 -0.34 0.00 -1.03 0.00 0.00 54.13 55.07 3nk7 s LEU 61 Cb -0.47 -3.53 -0.14 0.00 0.03 0.00 0.00 46.19 42.08 3nk7 s LEU 61 CO 0.57 0.13 1.63 -0.67 0.23 0.00 0.00 176.35 178.24 3nk7 n ASP 62 N 1.30 2.99 -0.26 2.29 2.03 -1.26 -4.85 116.55 118.79 3nk7 n ASP 62 Ca -0.03 1.06 0.04 0.00 0.52 0.00 0.00 54.79 56.37 3nk7 n ASP 62 Cb 0.49 -1.38 0.17 0.00 -0.72 0.00 0.00 41.12 39.68 3nk7 n ASP 62 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3nk7 h PRO 63 N 6.65 0.57 -0.38 -0.67 0.11 -1.99 0.07 132.00 136.36 3nk7 h PRO 63 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3nk7 h PRO 63 Cb 1.27 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3nk7 h PRO 63 CO 0.89 0.38 0.18 0.00 -0.21 0.00 0.00 178.00 179.24 3nk7 h ALA 64 N 1.49 0.46 -0.01 -0.75 0.00 -1.99 0.18 119.26 118.64 3nk7 h ALA 64 Ca 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 3nk7 h ALA 64 Cb 0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nk7 h ALA 64 CO -0.32 -0.20 0.01 1.25 0.00 0.00 0.00 179.25 179.99 3nk7 h LEU 65 N 0.36 0.01 0.20 0.00 5.85 -1.73 0.14 115.31 120.14 3nk7 h LEU 65 Ca 0.16 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3nk7 h LEU 65 Cb 0.09 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3nk7 h LEU 65 CO -0.13 0.05 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.57 3nk7 h LEU 66 N -0.02 -1.09 -0.56 2.25 3.38 -0.84 0.98 115.31 119.40 3nk7 h LEU 66 Ca 0.00 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.18 3nk7 h LEU 66 Cb 0.04 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 3nk7 h LEU 66 CO -0.00 -0.48 -0.42 -0.78 0.09 0.00 0.00 178.44 176.85 3nk7 h ASP 67 N -0.67 -1.44 -0.99 -0.43 3.58 -0.56 0.21 116.42 116.13 3nk7 h ASP 67 Ca 0.01 0.24 0.09 0.00 0.42 0.00 0.00 57.03 57.79 3nk7 h ASP 67 Cb 0.66 0.66 -0.08 0.00 1.72 0.00 0.00 39.33 42.29 3nk7 h ASP 67 CO -0.18 -0.33 0.63 0.25 -2.88 0.00 0.00 179.24 176.73 3nk7 h LEU 68 N -0.23 0.96 -1.04 2.28 6.46 0.09 0.87 115.31 124.71 3nk7 h LEU 68 Ca 0.18 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 3nk7 h LEU 68 Cb 0.56 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 3nk7 h LEU 68 CO -0.67 0.56 -0.46 0.00 -0.62 0.00 0.00 178.44 177.25 3nk7 h ARG 70 N 0.03 0.52 0.20 0.00 0.11 0.71 0.19 114.38 116.14 3nk7 h ARG 70 Ca -0.00 -0.72 0.00 0.00 0.10 0.00 0.00 59.98 59.36 3nk7 h ARG 70 Cb 0.83 0.24 -0.03 0.00 1.11 0.00 0.00 29.97 32.12 3nk7 h ARG 70 CO 0.06 1.32 -0.42 1.96 0.10 0.00 0.00 179.97 182.99 3nk7 h GLN 71 N 0.22 -0.65 -7.42 0.08 4.20 0.14 -3.38 115.11 108.30 3nk7 h GLN 71 Ca -0.17 0.04 -0.49 0.00 0.06 0.00 0.00 58.65 58.09 3nk7 h GLN 71 Cb 1.91 0.15 0.10 0.00 0.30 0.00 0.00 27.48 29.94 3nk7 h GLN 71 CO 0.23 -0.43 0.37 1.03 -0.67 0.00 0.00 178.83 179.36 3nk7 s ARG 72 N -5.23 2.56 -0.93 1.46 1.81 0.99 -4.93 118.95 114.66 3nk7 s ARG 72 Ca -0.14 0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 54.47 3nk7 s ARG 72 Cb 0.04 -1.97 0.11 0.00 -0.45 0.00 0.00 34.95 32.68 3nk7 s ARG 72 CO 0.48 -1.29 2.52 0.39 -0.68 0.00 0.00 175.30 176.72 3nk7 n GLU 73 N -3.21 3.68 -3.27 3.54 -0.58 -1.25 -4.54 120.64 115.00 3nk7 n GLU 73 Ca 0.07 -3.05 -0.43 0.00 -0.42 0.00 0.00 57.16 53.33 3nk7 n GLU 73 Cb 0.56 -2.41 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 3nk7 n GLU 73 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3nk7 s ILE 74 N -1.84 5.04 0.30 -3.67 1.01 0.68 -5.03 121.20 117.68 3nk7 s ILE 74 Ca 0.55 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 3nk7 s ILE 74 Cb 0.27 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.49 3nk7 s ILE 74 CO -0.16 -0.55 1.42 -2.65 0.00 0.00 0.00 174.94 173.00 3nk7 n PRO 75 N 5.74 2.31 -4.76 2.79 -0.02 -1.26 -4.50 135.00 135.29 3nk7 n PRO 75 Ca -0.07 0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 61.94 3nk7 n PRO 75 Cb 0.46 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 3nk7 n PRO 75 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3nk7 s VAL 76 N -0.53 1.96 0.13 -1.45 1.01 -1.26 -1.39 120.40 118.88 3nk7 s VAL 76 Ca 0.61 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 3nk7 s VAL 76 Cb -0.56 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3nk7 s VAL 76 CO 0.55 0.28 0.30 -0.13 0.00 0.00 0.00 175.10 176.10 3nk7 s ARG 77 N -1.28 1.05 0.08 2.72 0.52 -0.49 -4.97 118.95 116.57 3nk7 s ARG 77 Ca 0.10 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.40 3nk7 s ARG 77 Cb -0.10 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 3nk7 s ARG 77 CO 0.02 -0.38 -0.07 -0.51 0.02 0.00 0.00 175.30 174.38 3nk7 s LEU 78 N -2.88 3.17 -0.09 2.53 1.02 -1.26 -2.16 118.68 119.01 3nk7 s LEU 78 Ca 0.09 -0.28 0.03 0.00 0.02 0.00 0.00 54.13 53.99 3nk7 s LEU 78 Cb 0.03 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.33 3nk7 s LEU 78 CO -0.07 0.20 -0.17 -0.63 0.02 0.00 0.00 176.35 175.71 3nk7 s ILE 79 N -1.18 1.54 0.22 -0.59 1.01 -0.30 -0.45 121.20 121.45 3nk7 s ILE 79 Ca 0.21 -0.70 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3nk7 s ILE 79 Cb -0.11 -1.37 -0.15 0.00 0.01 0.00 0.00 42.46 40.84 3nk7 s ILE 79 CO 0.13 0.45 1.08 -0.67 0.00 0.00 0.00 174.94 175.93 3nk7 n ASP 80 N 3.79 1.24 -0.33 3.58 -0.08 -0.66 -1.59 116.55 122.51 3nk7 n ASP 80 Ca -0.21 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 3nk7 n ASP 80 Cb 0.52 -1.24 0.34 0.00 2.34 0.00 0.00 41.12 43.09 3nk7 n ASP 80 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3nk7 h VAL 81 N 2.34 0.56 -0.45 5.18 -1.51 -1.90 -2.22 116.25 118.25 3nk7 h VAL 81 Ca -0.41 -0.19 0.09 0.00 -1.23 0.00 0.00 66.70 64.96 3nk7 h VAL 81 Cb 1.34 -0.05 -0.08 0.00 -2.13 0.00 0.00 31.29 30.37 3nk7 h VAL 81 CO 0.66 0.10 -0.10 0.28 -1.23 0.00 0.00 177.57 177.28 3nk7 h SER 82 N 0.56 -0.40 -0.08 4.19 0.02 -1.94 -2.52 113.55 113.38 3nk7 h SER 82 Ca 0.60 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.67 3nk7 h SER 82 Cb 1.09 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 3nk7 h SER 82 CO -0.47 -0.14 0.03 0.40 -1.14 0.00 0.00 176.83 175.51 3nk7 h ILE 83 N 0.01 1.16 -0.21 3.27 2.04 -1.75 -2.72 117.51 119.30 3nk7 h ILE 83 Ca 0.22 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3nk7 h ILE 83 Cb 0.33 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3nk7 h ILE 83 CO -0.46 0.13 0.69 0.58 0.00 0.00 0.00 178.15 179.10 3nk7 h VAL 84 N -0.04 0.06 0.00 1.67 2.07 -1.37 0.01 116.25 118.65 3nk7 h VAL 84 Ca 0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.22 3nk7 h VAL 84 Cb 0.19 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3nk7 h VAL 84 CO -0.00 0.00 2.37 0.59 0.02 0.00 0.00 177.57 180.55 3nk7 n ASN 85 N -2.95 4.19 -0.42 0.57 5.03 -1.03 -2.69 115.26 117.97 3nk7 n ASN 85 Ca 0.04 -2.28 0.06 0.00 0.87 0.00 0.00 54.58 53.27 3nk7 n ASN 85 Cb 0.78 -1.01 0.10 0.00 -1.02 0.00 0.00 39.78 38.63 3nk7 n ASN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nk7 n GLN 86 N 4.34 0.85 0.00 3.52 10.64 -0.01 -5.09 117.38 131.63 3nk7 n GLN 86 Ca 0.38 -2.21 0.00 0.00 -1.83 0.00 0.00 57.00 53.34 3nk7 n GLN 86 Cb 0.11 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 3nk7 n GLN 86 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3nk7 n LEU 87 N -0.80 0.00 0.00 2.61 4.77 -1.09 -5.06 117.00 117.42 3nk7 n LEU 87 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3nk7 n LEU 87 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3nk7 n LEU 87 CO -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.05 3nk7 n ALA 94 N -3.00 0.00 -0.01 -1.18 0.00 -1.26 -5.18 120.51 109.88 3nk7 n ALA 94 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3nk7 n ALA 94 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3nk7 n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3nk7 n LYS 95 N 2.21 0.65 -3.90 0.00 4.01 -1.26 -4.80 118.16 115.08 3nk7 n LYS 95 Ca 0.00 -0.06 -0.12 0.00 -0.51 0.00 0.00 58.31 57.62 3nk7 n LYS 95 Cb 0.00 -1.60 -0.14 0.00 -0.51 0.00 0.00 35.03 32.78 3nk7 n LYS 95 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3nk7 s VAL 96 N -3.21 0.04 0.19 -0.18 0.11 -1.26 -1.12 120.40 114.97 3nk7 s VAL 96 Ca -0.07 -0.07 -0.23 0.00 -2.93 0.00 0.00 61.98 58.69 3nk7 s VAL 96 Cb 0.11 -0.05 0.05 0.00 -1.53 0.00 0.00 36.38 34.96 3nk7 s VAL 96 CO 0.86 -0.02 0.67 0.72 -3.33 0.00 0.00 175.10 174.01 3nk7 s PHE 97 N -0.09 -0.39 0.01 1.54 -0.71 0.30 -1.45 117.98 117.19 3nk7 s PHE 97 Ca -0.01 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 3nk7 s PHE 97 Cb -0.01 0.61 -0.01 0.00 -1.21 0.00 0.00 43.02 42.41 3nk7 s PHE 97 CO -0.00 -0.96 -0.02 0.20 -1.34 0.00 0.00 175.22 173.09 3nk7 s GLY 98 N -2.80 0.16 -0.22 1.99 0.00 0.32 0.54 107.32 107.31 3nk7 s GLY 98 Ca 0.05 -0.30 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 3nk7 s GLY 98 CO -0.05 -0.32 0.33 -1.50 0.00 0.00 0.00 173.10 171.56 3nk7 s ILE 99 N -0.64 5.24 0.19 0.90 2.07 -0.27 -0.29 121.20 128.40 3nk7 s ILE 99 Ca -0.06 0.56 0.08 0.00 -1.41 0.00 0.00 60.65 59.82 3nk7 s ILE 99 Cb -0.05 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 3nk7 s ILE 99 CO -0.00 0.27 -0.16 0.00 -1.91 0.00 0.00 174.94 173.13 3nk7 s ALA 100 N 1.30 2.03 -0.10 1.50 0.00 0.65 -0.74 121.76 126.39 3nk7 s ALA 100 Ca 0.16 -1.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 3nk7 s ALA 100 Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3nk7 s ALA 100 CO 0.07 0.15 0.58 1.03 0.00 0.00 0.00 175.76 177.59 3nk7 s ARG 101 N -3.25 4.37 -0.18 0.00 0.52 -0.15 0.65 118.95 120.91 3nk7 s ARG 101 Ca 0.20 0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 55.75 3nk7 s ARG 101 Cb -0.03 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 3nk7 s ARG 101 CO 0.07 0.09 1.70 0.08 0.02 0.00 0.00 175.30 177.25 3nk7 s VAL 102 N 0.80 3.58 1.00 3.52 1.01 0.65 -4.46 120.40 126.49 3nk7 s VAL 102 Ca 0.31 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 3nk7 s VAL 102 Cb -0.16 -3.57 0.19 0.00 0.00 0.00 0.00 36.38 32.84 3nk7 s VAL 102 CO 0.14 -0.22 1.11 -2.84 0.00 0.00 0.00 175.10 173.28 3nk7 s PRO 103 N 4.72 0.38 0.09 2.72 0.02 -1.26 -4.90 135.00 136.77 3nk7 s PRO 103 Ca 0.75 1.30 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 3nk7 s PRO 103 Cb -0.28 -1.67 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 3nk7 s PRO 103 CO 0.31 -2.99 1.25 0.50 -0.33 0.00 0.00 177.00 175.74 3nk7 s ARG 104 N -4.59 4.41 0.06 5.54 3.52 -1.26 -4.90 118.95 121.73 3nk7 s ARG 104 Ca 0.67 1.87 -0.38 0.00 -0.13 0.00 0.00 55.73 57.76 3nk7 s ARG 104 Cb -0.23 -3.31 -0.18 0.00 -1.56 0.00 0.00 34.95 29.67 3nk7 s ARG 104 CO 0.60 -0.29 1.23 -2.30 -0.81 0.00 0.00 175.30 173.73 3nk7 n PRO 105 N 3.78 0.72 -1.06 5.12 -0.02 -1.26 -4.92 135.00 137.36 3nk7 n PRO 105 Ca 0.09 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 3nk7 n PRO 105 Cb 0.45 -1.84 0.12 0.00 -0.02 0.00 0.00 33.50 32.21 3nk7 n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nk7 s ALA 106 N 0.27 1.92 0.18 3.55 0.00 -1.26 -5.06 121.76 121.36 3nk7 s ALA 106 Ca 0.86 0.35 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3nk7 s ALA 106 Cb -1.07 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.68 3nk7 s ALA 106 CO 0.51 -2.16 0.02 -0.98 0.00 0.00 0.00 175.76 173.15 3nk7 s ARG 107 N -4.82 1.14 0.28 0.00 3.03 -1.26 -4.71 118.95 112.61 3nk7 s ARG 107 Ca 0.63 -1.56 0.02 0.00 2.03 0.00 0.00 55.73 56.85 3nk7 s ARG 107 Cb -0.19 -0.22 0.67 0.00 -1.03 0.00 0.00 34.95 34.18 3nk7 s ARG 107 CO 0.57 -0.17 1.69 -0.07 -1.13 0.00 0.00 175.30 176.19 3nk7 h LEU 108 N 2.66 0.20 -0.62 -1.89 4.07 -1.96 0.30 115.31 118.07 3nk7 h LEU 108 Ca -0.37 0.16 0.12 0.00 0.08 0.00 0.00 57.88 57.87 3nk7 h LEU 108 Cb 1.21 0.17 -0.09 0.00 1.08 0.00 0.00 40.66 43.03 3nk7 h LEU 108 CO 0.62 -0.03 0.11 0.00 -1.08 0.00 0.00 178.44 178.06 3nk7 h ALA 109 N 1.70 0.72 -0.88 1.53 0.00 -2.01 -1.31 119.26 119.02 3nk7 h ALA 109 Ca 0.53 0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.79 3nk7 h ALA 109 Cb 0.99 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3nk7 h ALA 109 CO -0.55 -0.33 0.39 -0.44 0.00 0.00 0.00 179.25 178.32 3nk7 h ASP 110 N 0.24 0.34 -0.51 0.00 3.45 -1.34 -1.58 116.42 117.02 3nk7 h ASP 110 Ca 0.33 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.93 3nk7 h ASP 110 Cb 0.51 0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 3nk7 h ASP 110 CO -0.44 0.03 0.31 0.40 -1.57 0.00 0.00 179.24 177.97 3nk7 h ILE 111 N 0.42 1.15 -0.34 0.35 2.04 -1.28 -2.17 117.51 117.69 3nk7 h ILE 111 Ca 0.54 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.91 3nk7 h ILE 111 Cb 0.99 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3nk7 h ILE 111 CO -0.50 0.16 -0.38 0.00 0.00 0.00 0.00 178.15 177.42 3nk7 h ALA 112 N 1.15 0.69 -0.37 1.87 0.00 -1.20 -3.06 119.26 118.34 3nk7 h ALA 112 Ca 0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3nk7 h ALA 112 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3nk7 h ALA 112 CO -0.03 0.67 -0.20 0.93 0.00 0.00 0.00 179.25 180.61 3nk7 h GLU 113 N 0.67 0.71 0.00 0.00 5.08 -1.32 -2.96 114.58 116.76 3nk7 h GLU 113 Ca 0.06 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3nk7 h GLU 113 Cb 0.94 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3nk7 h GLU 113 CO 0.09 0.86 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.80 3nk7 h ARG 114 N 0.63 0.00 0.00 2.33 2.43 -1.28 -3.49 114.38 115.00 3nk7 h ARG 114 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3nk7 h ARG 114 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3nk7 h ARG 114 CO 0.05 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 3nk7 n GLY 115 N -0.81 -2.82 0.00 2.80 0.00 -1.12 -4.98 105.19 98.26 3nk7 n GLY 115 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3nk7 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nk7 n GLY 116 N -1.38 0.38 3.77 -0.02 0.00 -1.26 -4.07 105.19 102.60 3nk7 n GLY 116 Ca 0.00 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 3nk7 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3nk7 s ASP 117 N -0.11 6.28 -0.21 1.61 1.01 -1.26 -4.40 116.67 119.60 3nk7 s ASP 117 Ca 0.00 2.45 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 3nk7 s ASP 117 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3nk7 s ASP 117 CO 0.00 -0.85 0.12 -0.69 0.21 0.00 0.00 175.17 173.96 3nk7 s VAL 118 N -1.40 5.17 -0.27 -1.27 1.01 0.75 -0.75 120.40 123.64 3nk7 s VAL 118 Ca 0.60 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 3nk7 s VAL 118 Cb -0.33 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3nk7 s VAL 118 CO 0.41 0.41 0.51 -0.69 0.00 0.00 0.00 175.10 175.74 3nk7 s VAL 119 N 0.66 5.07 -0.20 2.92 1.01 -0.64 -0.96 120.40 128.25 3nk7 s VAL 119 Ca 0.06 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 3nk7 s VAL 119 Cb -0.12 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3nk7 s VAL 119 CO 0.01 0.06 -0.06 -0.69 0.00 0.00 0.00 175.10 174.43 3nk7 s VAL 120 N 2.31 3.33 -0.14 2.92 1.01 -0.23 -0.33 120.40 129.27 3nk7 s VAL 120 Ca 0.21 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3nk7 s VAL 120 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3nk7 s VAL 120 CO 0.10 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 3nk7 s LEU 121 N 1.27 4.34 -0.45 3.92 1.43 0.35 -0.99 118.68 128.56 3nk7 s LEU 121 Ca 0.03 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3nk7 s LEU 121 Cb -0.14 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.12 3nk7 s LEU 121 CO -0.02 0.35 0.21 -0.62 0.23 0.00 0.00 176.35 176.50 3nk7 s ASP 122 N -0.67 4.10 0.00 2.29 2.15 -0.12 -0.65 116.67 123.77 3nk7 s ASP 122 Ca 0.13 -2.64 0.00 0.00 0.43 0.00 0.00 52.55 50.47 3nk7 s ASP 122 Cb -0.12 -1.35 0.00 0.00 -0.30 0.00 0.00 42.92 41.16 3nk7 s ASP 122 CO 0.03 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 3nk7 n GLY 123 N 3.57 0.52 3.68 2.66 0.00 0.21 -3.41 105.19 112.42 3nk7 n GLY 123 Ca 0.06 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3nk7 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nk7 s VAL 124 N -2.00 4.53 0.00 1.61 1.01 -1.26 -4.48 120.40 119.81 3nk7 s VAL 124 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3nk7 s VAL 124 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3nk7 s VAL 124 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.37 3nk7 n LYS 125 N 5.31 1.34 -2.20 2.72 5.02 -1.26 -4.25 118.16 124.84 3nk7 n LYS 125 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3nk7 n LYS 125 Cb 0.47 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 3nk7 n LYS 125 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3nk7 s ILE 126 N -1.58 3.80 0.35 -0.18 1.01 -1.26 -4.90 121.20 118.43 3nk7 s ILE 126 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 60.65 61.58 3nk7 s ILE 126 Cb 0.00 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.75 3nk7 s ILE 126 CO 0.00 -0.43 1.88 0.58 0.00 0.00 0.00 174.94 176.97 3nk7 h VAL 127 N 6.25 1.19 -0.97 2.92 2.07 -1.95 0.25 116.25 126.02 3nk7 h VAL 127 Ca -0.31 -0.80 0.10 0.00 0.82 0.00 0.00 66.70 66.50 3nk7 h VAL 127 Cb 1.14 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 3nk7 h VAL 127 CO 1.03 0.27 0.62 1.23 0.02 0.00 0.00 177.57 180.73 3nk7 h GLY 128 N 0.81 1.49 0.74 2.17 0.00 -1.90 0.32 103.07 106.71 3nk7 h GLY 128 Ca 0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3nk7 h GLY 128 CO 0.02 0.22 -0.05 3.43 0.00 0.00 0.00 176.54 180.15 3nk7 h ASN 129 N 1.00 0.29 -0.56 0.19 2.35 -0.97 -1.87 115.58 116.02 3nk7 h ASN 129 Ca 0.45 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3nk7 h ASN 129 Cb 0.38 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3nk7 h ASN 129 CO -0.21 0.62 0.35 0.40 -1.65 0.00 0.00 177.43 176.94 3nk7 h ILE 130 N -0.04 1.08 -0.25 2.81 2.04 -0.79 -1.57 117.51 120.79 3nk7 h ILE 130 Ca 0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3nk7 h ILE 130 Cb 0.51 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3nk7 h ILE 130 CO 0.02 0.13 0.08 1.23 0.00 0.00 0.00 178.15 179.61 3nk7 h GLY 131 N 0.69 0.42 0.76 5.37 0.00 -0.93 -1.12 103.07 108.26 3nk7 h GLY 131 Ca 0.22 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.36 3nk7 h GLY 131 CO -0.08 0.23 0.56 0.00 0.00 0.00 0.00 176.54 177.24 3nk7 h ALA 132 N 0.92 1.20 -0.43 3.60 0.00 -1.16 -2.41 119.26 120.97 3nk7 h ALA 132 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3nk7 h ALA 132 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3nk7 h ALA 132 CO -0.00 0.33 -0.03 0.82 0.00 0.00 0.00 179.25 180.37 3nk7 h ILE 133 N 1.03 1.24 -0.60 0.00 2.04 -0.96 -1.10 117.51 119.16 3nk7 h ILE 133 Ca 0.38 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3nk7 h ILE 133 Cb 0.13 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3nk7 h ILE 133 CO -0.16 0.35 0.40 0.58 0.00 0.00 0.00 178.15 179.32 3nk7 h VAL 134 N 0.67 1.16 -0.18 1.67 2.07 -0.80 0.04 116.25 120.88 3nk7 h VAL 134 Ca 0.13 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 3nk7 h VAL 134 Cb 0.46 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3nk7 h VAL 134 CO 0.02 0.15 -0.08 -0.09 0.02 0.00 0.00 177.57 177.60 3nk7 h ARG 135 N 0.82 0.36 -0.16 1.57 2.43 -1.13 -1.65 114.38 116.63 3nk7 h ARG 135 Ca 0.22 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3nk7 h ARG 135 Cb -0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3nk7 h ARG 135 CO -0.05 0.66 0.06 1.15 -1.51 0.00 0.00 179.97 180.29 3nk7 h THR 136 N 0.05 0.98 -0.95 0.20 2.02 -1.11 -1.19 112.91 112.90 3nk7 h THR 136 Ca 0.04 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3nk7 h THR 136 Cb 0.55 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 3nk7 h THR 136 CO 0.02 0.03 0.61 0.28 0.37 0.00 0.00 175.52 176.83 3nk7 h SER 137 N 0.15 0.97 0.24 4.18 0.02 -0.89 0.11 113.55 118.32 3nk7 h SER 137 Ca 0.07 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3nk7 h SER 137 Cb 0.03 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3nk7 h SER 137 CO -0.06 0.61 -0.11 0.25 -1.14 0.00 0.00 176.83 176.38 3nk7 h LEU 138 N 1.10 -0.27 -1.77 5.07 5.85 -1.10 -0.30 115.31 123.89 3nk7 h LEU 138 Ca 0.42 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3nk7 h LEU 138 Cb 0.18 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3nk7 h LEU 138 CO -0.18 0.09 0.15 0.00 -0.34 0.00 0.00 178.44 178.17 3nk7 h ALA 139 N -0.03 1.84 -0.68 1.25 0.00 -0.87 -2.17 119.26 118.59 3nk7 h ALA 139 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3nk7 h ALA 139 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3nk7 h ALA 139 CO 0.05 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.74 3nk7 n LEU 140 N -4.50 3.71 0.00 0.00 4.77 0.35 -4.96 117.00 116.37 3nk7 n LEU 140 Ca 0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 3nk7 n LEU 140 Cb 0.07 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3nk7 n LEU 140 CO 0.35 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3nk7 n GLY 141 N 1.60 0.61 3.77 -0.72 0.00 -0.81 -4.63 105.19 105.00 3nk7 n GLY 141 Ca 0.23 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3nk7 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nk7 s ALA 142 N -2.00 2.51 0.21 4.61 0.00 -0.14 -4.67 121.76 122.28 3nk7 s ALA 142 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3nk7 s ALA 142 Cb 0.00 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.94 3nk7 s ALA 142 CO 0.00 -1.17 1.52 0.00 0.00 0.00 0.00 175.76 176.11 3nk7 h ALA 143 N 0.38 0.75 0.00 0.00 0.00 -1.09 -3.45 119.26 115.85 3nk7 h ALA 143 Ca -0.48 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3nk7 h ALA 143 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3nk7 h ALA 143 CO 0.55 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.92 3nk7 n GLY 144 N 0.30 -0.69 2.97 0.00 0.00 -1.24 -4.26 105.19 102.26 3nk7 n GLY 144 Ca -0.03 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 3nk7 n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nk7 s ILE 145 N -2.00 0.90 -0.24 -0.61 1.01 -0.47 -1.62 121.20 118.16 3nk7 s ILE 145 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3nk7 s ILE 145 Cb 0.00 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3nk7 s ILE 145 CO 0.00 0.31 0.11 -0.69 0.00 0.00 0.00 174.94 174.67 3nk7 s VAL 146 N 0.83 4.83 -0.34 2.92 1.01 0.55 -0.60 120.40 129.60 3nk7 s VAL 146 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3nk7 s VAL 146 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3nk7 s VAL 146 CO 0.02 0.34 0.16 -0.76 0.00 0.00 0.00 175.10 174.85 3nk7 s LEU 147 N 1.31 4.39 -0.19 3.92 1.43 0.97 -0.49 118.68 130.03 3nk7 s LEU 147 Ca 0.06 -0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 52.24 3nk7 s LEU 147 Cb -0.15 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3nk7 s LEU 147 CO 0.05 -0.31 -0.09 -0.69 0.23 0.00 0.00 176.35 175.55 3nk7 s VAL 148 N 1.53 3.16 -0.70 -1.59 1.01 0.17 -1.70 120.40 122.28 3nk7 s VAL 148 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3nk7 s VAL 148 Cb -0.19 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3nk7 s VAL 148 CO 0.05 0.47 0.34 0.47 0.00 0.00 0.00 175.10 176.44 3nk7 n ASP 149 N 4.33 -3.75 0.01 3.32 8.00 -1.26 0.67 116.55 127.87 3nk7 n ASP 149 Ca -0.18 -0.16 0.12 0.00 0.71 0.00 0.00 54.79 55.27 3nk7 n ASP 149 Cb 0.51 -2.57 0.20 0.00 -0.02 0.00 0.00 41.12 39.25 3nk7 n ASP 149 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3nk7 n SER 150 N -0.30 0.56 -1.70 -2.24 3.41 -1.26 -3.98 113.62 108.10 3nk7 n SER 150 Ca -0.04 -0.27 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 3nk7 n SER 150 Cb 0.55 0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.76 3nk7 n SER 150 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3nk7 n ASP 151 N -1.57 -5.46 -4.86 4.04 8.00 -1.26 -4.60 116.55 110.84 3nk7 n ASP 151 Ca 0.05 0.37 -0.35 0.00 0.71 0.00 0.00 54.79 55.57 3nk7 n ASP 151 Cb 0.35 -4.66 -0.06 0.00 -0.02 0.00 0.00 41.12 36.74 3nk7 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3nk7 s LEU 152 N -4.80 4.35 -0.13 0.64 1.43 -1.26 -4.99 118.68 113.92 3nk7 s LEU 152 Ca 0.00 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 3nk7 s LEU 152 Cb 0.00 -3.06 -0.23 0.00 0.03 0.00 0.00 46.19 42.93 3nk7 s LEU 152 CO 0.00 0.16 0.31 0.00 0.23 0.00 0.00 176.35 177.05 3nk7 n ALA 153 N 0.93 1.29 -2.97 4.21 0.00 -1.26 -4.97 120.51 117.74 3nk7 n ALA 153 Ca -0.07 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.39 3nk7 n ALA 153 Cb 0.52 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 3nk7 n ALA 153 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3nk7 s THR 154 N -2.55 0.09 -0.76 0.00 -1.32 -1.26 -5.03 115.64 104.80 3nk7 s THR 154 Ca -0.16 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 59.86 3nk7 s THR 154 Cb 0.07 -0.98 0.23 0.00 -1.51 0.00 0.00 72.50 70.30 3nk7 s THR 154 CO 0.77 -0.39 1.70 2.30 -2.21 0.00 0.00 174.62 176.78 3nk7 n ILE 155 N 0.47 0.45 1.50 5.08 -5.35 -1.26 -3.16 119.36 117.09 3nk7 n ILE 155 Ca -0.18 -0.24 0.14 0.00 -0.27 0.00 0.00 62.75 62.20 3nk7 n ILE 155 Cb 0.60 -0.46 0.75 0.00 -1.74 0.00 0.00 39.64 38.79 3nk7 n ILE 155 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nk7 n ALA 156 N -1.75 2.44 -1.58 -1.28 0.00 -1.26 -4.49 120.51 112.59 3nk7 n ALA 156 Ca 0.05 -0.15 -0.57 0.00 0.00 0.00 0.00 53.44 52.77 3nk7 n ALA 156 Cb 0.42 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 3nk7 n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3nk7 n ASP 157 N -1.15 0.99 0.28 0.00 4.64 -1.19 -4.74 116.55 115.38 3nk7 n ASP 157 Ca 0.17 1.14 0.15 0.00 -1.38 0.00 0.00 54.79 54.86 3nk7 n ASP 157 Cb 0.16 -1.04 0.82 0.00 -1.04 0.00 0.00 41.12 40.02 3nk7 n ASP 157 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3nk7 h ARG 158 N 4.25 0.00 -0.65 -0.67 3.08 -1.94 -1.30 114.38 117.14 3nk7 h ARG 158 Ca -0.49 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.49 3nk7 h ARG 158 Cb 1.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 3nk7 h ARG 158 CO 0.77 0.07 0.10 0.00 -1.07 0.00 0.00 179.97 179.84 3nk7 h ARG 159 N 0.00 1.06 -0.14 0.04 3.08 -1.96 -2.25 114.38 114.20 3nk7 h ARG 159 Ca -0.00 -0.28 -0.23 0.00 0.07 0.00 0.00 59.98 59.54 3nk7 h ARG 159 Cb 0.24 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3nk7 h ARG 159 CO 0.01 0.97 -0.80 1.25 -1.07 0.00 0.00 179.97 180.33 3nk7 h LEU 160 N 1.00 0.95 -0.55 3.04 5.85 -1.59 0.25 115.31 124.26 3nk7 h LEU 160 Ca 0.20 -0.64 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3nk7 h LEU 160 Cb 0.43 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3nk7 h LEU 160 CO 0.01 1.44 0.23 -0.07 -0.34 0.00 0.00 178.44 179.71 3nk7 h LEU 161 N 0.53 0.27 -0.13 2.25 3.38 -1.30 0.29 115.31 120.61 3nk7 h LEU 161 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3nk7 h LEU 161 Cb 1.44 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3nk7 h LEU 161 CO 0.17 0.18 0.01 -0.09 0.09 0.00 0.00 178.44 178.80 3nk7 h ARG 162 N 0.43 0.23 -0.49 1.13 2.43 -1.36 -1.87 114.38 114.88 3nk7 h ARG 162 Ca 0.26 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3nk7 h ARG 162 Cb 0.26 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3nk7 h ARG 162 CO -0.24 0.43 0.01 0.00 -1.51 0.00 0.00 179.97 178.66 3nk7 h ALA 163 N 0.79 1.10 -0.00 2.80 0.00 -0.62 -2.06 119.26 121.27 3nk7 h ALA 163 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3nk7 h ALA 163 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3nk7 h ALA 163 CO 0.00 0.58 -0.01 -1.13 0.00 0.00 0.00 179.25 178.69 3nk7 n SER 164 N -4.22 0.33 -4.13 0.00 3.41 1.00 -3.96 113.62 106.05 3nk7 n SER 164 Ca 0.03 -1.02 -0.35 0.00 -0.26 0.00 0.00 58.87 57.27 3nk7 n SER 164 Cb 0.30 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3nk7 n SER 164 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3nk7 n ARG 165 N -0.78 -3.78 -0.84 4.33 1.74 -0.77 -1.48 116.66 115.08 3nk7 n ARG 165 Ca 0.22 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3nk7 n ARG 165 Cb 0.18 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 3nk7 n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nk7 n GLY 166 N -1.46 0.54 0.17 -0.13 0.00 -0.74 -4.07 105.19 99.50 3nk7 n GLY 166 Ca 0.07 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3nk7 n GLY 166 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nk7 n TYR 167 N -2.84 0.00 0.31 1.61 4.01 -0.55 -4.15 117.16 115.56 3nk7 n TYR 167 Ca 0.00 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.94 3nk7 n TYR 167 Cb 0.00 -0.13 1.02 0.00 -0.31 0.00 0.00 39.34 39.92 3nk7 n TYR 167 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3nk7 h VAL 168 N 0.84 0.13 -0.26 -0.72 3.04 -1.89 -0.20 116.25 117.19 3nk7 h VAL 168 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3nk7 h VAL 168 Cb 0.54 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 3nk7 h VAL 168 CO 0.00 0.02 0.00 0.49 -1.01 0.00 0.00 177.57 177.07 3nk7 n PHE 169 N -3.24 0.33 0.15 3.17 3.72 -1.26 -4.52 117.46 115.81 3nk7 n PHE 169 Ca -0.02 -0.19 0.09 0.00 -0.05 0.00 0.00 57.45 57.27 3nk7 n PHE 169 Cb 0.14 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.75 3nk7 n PHE 169 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3nk7 h SER 170 N 3.86 0.00 -5.25 4.37 0.02 -1.29 -3.46 113.55 111.79 3nk7 h SER 170 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3nk7 h SER 170 Cb 0.87 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.27 3nk7 h SER 170 CO 0.00 0.16 -0.62 -1.48 -1.14 0.00 0.00 176.83 173.75 3nk7 s LEU 171 N -5.99 2.18 -0.12 5.07 2.34 -1.26 -5.04 118.68 115.86 3nk7 s LEU 171 Ca 0.03 -0.97 -0.32 0.00 0.06 0.00 0.00 54.13 52.93 3nk7 s LEU 171 Cb 0.07 0.37 -0.10 0.00 -0.56 0.00 0.00 46.19 45.98 3nk7 s LEU 171 CO 0.73 -0.65 2.02 -2.65 -1.06 0.00 0.00 176.35 174.75 3nk7 n PRO 172 N 0.05 2.15 -4.09 1.48 -0.02 -1.26 -4.94 135.00 128.36 3nk7 n PRO 172 Ca -0.13 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 3nk7 n PRO 172 Cb 0.62 -2.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 3nk7 n PRO 172 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3nk7 s VAL 173 N 5.58 1.98 -0.10 -1.45 1.01 -1.26 -1.37 120.40 124.78 3nk7 s VAL 173 Ca 0.96 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3nk7 s VAL 173 Cb -0.57 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3nk7 s VAL 173 CO 0.45 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 175.08 3nk7 s VAL 174 N 1.30 1.94 -0.14 2.92 1.01 0.23 -4.54 120.40 123.12 3nk7 s VAL 174 Ca 0.03 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 3nk7 s VAL 174 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 3nk7 s VAL 174 CO -0.11 0.53 0.98 -0.76 0.00 0.00 0.00 175.10 175.73 3nk7 s LEU 175 N 0.46 4.20 0.18 3.92 1.43 -1.26 -0.02 118.68 127.59 3nk7 s LEU 175 Ca -0.16 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3nk7 s LEU 175 Cb -0.17 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3nk7 s LEU 175 CO 0.07 -0.48 0.12 0.00 0.23 0.00 0.00 176.35 176.29 3nk7 s ALA 176 N 2.26 0.99 0.23 4.21 0.00 -0.69 -4.93 121.76 123.82 3nk7 s ALA 176 Ca 0.45 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3nk7 s ALA 176 Cb -0.17 1.19 -0.05 0.00 0.00 0.00 0.00 23.12 24.09 3nk7 s ALA 176 CO 0.15 -0.57 0.46 -0.51 0.00 0.00 0.00 175.76 175.29 3nk7 s ASP 177 N -3.11 6.44 0.30 0.00 -0.00 -1.26 -4.20 116.67 114.83 3nk7 s ASP 177 Ca 0.33 0.58 0.05 0.00 -0.00 0.00 0.00 52.55 53.51 3nk7 s ASP 177 Cb 0.07 -2.09 0.72 0.00 -0.00 0.00 0.00 42.92 41.62 3nk7 s ASP 177 CO 0.08 -0.09 1.76 -0.09 -0.00 0.00 0.00 175.17 176.84 3nk7 h ARG 178 N 2.05 0.68 0.28 8.23 2.43 -1.95 -0.60 114.38 125.50 3nk7 h ARG 178 Ca -0.47 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3nk7 h ARG 178 Cb 1.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3nk7 h ARG 178 CO 0.68 0.45 -0.13 0.93 -1.51 0.00 0.00 179.97 180.39 3nk7 h GLU 179 N 0.70 -0.36 -0.21 0.20 4.39 -2.00 -2.67 114.58 114.64 3nk7 h GLU 179 Ca 0.56 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3nk7 h GLU 179 Cb 0.90 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3nk7 h GLU 179 CO -0.40 -0.01 0.14 1.05 -1.16 0.00 0.00 179.01 178.63 3nk7 h GLU 180 N -0.79 0.27 0.22 2.33 4.11 -1.79 -1.45 114.58 117.49 3nk7 h GLU 180 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 3nk7 h GLU 180 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3nk7 h GLU 180 CO 0.06 0.18 -0.11 0.00 0.07 0.00 0.00 179.01 179.22 3nk7 h ALA 181 N 1.87 -0.30 -0.95 1.06 0.00 -1.11 0.94 119.26 120.77 3nk7 h ALA 181 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3nk7 h ALA 181 Cb -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3nk7 h ALA 181 CO -0.02 -0.60 0.59 0.28 0.00 0.00 0.00 179.25 179.50 3nk7 h VAL 182 N -0.43 1.26 -0.58 0.00 2.07 -1.22 -1.96 116.25 115.38 3nk7 h VAL 182 Ca -0.03 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3nk7 h VAL 182 Cb 0.33 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 3nk7 h VAL 182 CO 0.05 0.26 0.31 0.28 0.02 0.00 0.00 177.57 178.49 3nk7 h SER 183 N 1.31 0.73 -0.32 0.57 0.02 -1.05 -1.58 113.55 113.23 3nk7 h SER 183 Ca 0.34 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3nk7 h SER 183 Cb -0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3nk7 h SER 183 CO -0.07 0.62 0.16 0.15 -1.14 0.00 0.00 176.83 176.56 3nk7 h PHE 184 N 0.79 0.46 -0.44 3.45 3.57 -0.27 -2.23 116.94 122.26 3nk7 h PHE 184 Ca 0.20 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3nk7 h PHE 184 Cb 0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3nk7 h PHE 184 CO -0.01 0.40 0.29 -0.07 -2.23 0.00 0.00 178.31 176.68 3nk7 h LEU 185 N 0.39 0.52 0.03 0.59 3.38 -1.17 -2.83 115.31 116.21 3nk7 h LEU 185 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3nk7 h LEU 185 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3nk7 h LEU 185 CO -0.02 0.39 -0.09 -0.09 0.09 0.00 0.00 178.44 178.72 3nk7 h ARG 186 N 0.60 -0.12 -0.11 1.13 2.43 -1.02 -0.80 114.38 116.48 3nk7 h ARG 186 Ca 0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3nk7 h ARG 186 Cb -0.05 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3nk7 h ARG 186 CO -0.03 -0.08 0.00 -0.40 -1.51 0.00 0.00 179.97 177.94 3nk7 n ASP 187 N -2.93 0.11 -0.07 -3.80 3.85 -0.86 0.28 116.55 113.13 3nk7 n ASP 187 Ca -0.01 -1.26 0.03 0.00 -0.71 0.00 0.00 54.79 52.84 3nk7 n ASP 187 Cb 0.07 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 39.77 3nk7 n ASP 187 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3nk7 n ASN 188 N -0.38 0.63 -2.28 -1.12 3.02 -1.01 -5.01 115.26 109.12 3nk7 n ASN 188 Ca 0.00 -0.82 -0.14 0.00 -0.03 0.00 0.00 54.58 53.59 3nk7 n ASN 188 Cb 0.03 0.73 0.04 0.00 -0.61 0.00 0.00 39.78 39.97 3nk7 n ASN 188 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3nk7 n ASP 189 N -0.72 -4.55 -4.37 6.41 9.92 0.14 -4.98 116.55 118.39 3nk7 n ASP 189 Ca 0.02 -0.30 -0.45 0.00 -0.53 0.00 0.00 54.79 53.53 3nk7 n ASP 189 Cb 0.11 -3.16 -0.06 0.00 -0.64 0.00 0.00 41.12 37.38 3nk7 n ASP 189 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3nk7 s ILE 190 N -3.16 5.14 0.25 0.53 1.01 -0.42 -5.04 121.20 119.50 3nk7 s ILE 190 Ca 0.33 -1.13 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 3nk7 s ILE 190 Cb -0.15 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 3nk7 s ILE 190 CO 0.41 -0.76 1.63 0.00 0.00 0.00 0.00 174.94 176.22 3nk7 s ALA 191 N 1.87 3.82 0.10 9.38 0.00 -1.26 -4.61 121.76 131.04 3nk7 s ALA 191 Ca 0.06 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.62 3nk7 s ALA 191 Cb -0.25 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3nk7 s ALA 191 CO 0.06 -0.94 0.06 -0.48 0.00 0.00 0.00 175.76 174.46 3nk7 s LEU 192 N 0.22 3.68 0.04 0.00 0.05 -1.26 -1.54 118.68 119.87 3nk7 s LEU 192 Ca 0.68 -0.09 0.05 0.00 0.05 0.00 0.00 54.13 54.82 3nk7 s LEU 192 Cb -0.48 -2.37 -0.02 0.00 -2.05 0.00 0.00 46.19 41.27 3nk7 s LEU 192 CO 0.41 0.16 -0.16 -0.04 -0.55 0.00 0.00 176.35 176.17 3nk7 s MET 193 N -2.46 1.02 -0.18 1.48 -1.94 0.09 -0.49 119.30 116.82 3nk7 s MET 193 Ca 0.28 -0.82 -0.05 0.00 -1.71 0.00 0.00 55.69 53.39 3nk7 s MET 193 Cb -0.12 -1.07 -0.03 0.00 2.01 0.00 0.00 34.83 35.63 3nk7 s MET 193 CO 0.21 0.26 0.00 0.08 -0.01 0.00 0.00 175.02 175.56 3nk7 s VAL 194 N -0.88 4.12 0.02 -6.03 1.01 -0.43 -1.33 120.40 116.90 3nk7 s VAL 194 Ca 0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3nk7 s VAL 194 Cb -0.08 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3nk7 s VAL 194 CO 0.02 0.46 1.16 -0.76 0.00 0.00 0.00 175.10 175.97 3nk7 s LEU 195 N 0.63 4.35 -0.03 3.92 2.01 -0.58 -0.66 118.68 128.32 3nk7 s LEU 195 Ca -0.00 1.91 -0.29 0.00 0.01 0.00 0.00 54.13 55.75 3nk7 s LEU 195 Cb -0.14 -3.57 0.08 0.00 0.01 0.00 0.00 46.19 42.57 3nk7 s LEU 195 CO 0.02 -0.46 0.75 -0.62 1.01 0.00 0.00 176.35 177.05 3nk7 s ASP 196 N 1.15 -0.56 0.28 2.29 3.68 0.72 -4.70 116.67 119.53 3nk7 s ASP 196 Ca 0.57 0.47 -0.30 0.00 2.13 0.00 0.00 52.55 55.42 3nk7 s ASP 196 Cb -0.27 0.49 -0.11 0.00 -1.45 0.00 0.00 42.92 41.58 3nk7 s ASP 196 CO 0.27 -0.62 1.53 0.42 0.13 0.00 0.00 175.17 176.91 3nk7 s THR 197 N -1.78 2.27 0.00 1.71 -4.23 -1.26 -2.69 115.64 109.66 3nk7 s THR 197 Ca -0.06 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3nk7 s THR 197 Cb -0.00 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.69 3nk7 s THR 197 CO 0.03 0.04 0.00 0.47 -0.54 0.00 0.00 174.62 174.62 3nk7 n ASP 198 N 2.13 -0.69 -4.71 3.99 10.43 -1.26 -5.03 116.55 121.40 3nk7 n ASP 198 Ca 0.07 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.07 3nk7 n ASP 198 Cb 0.38 -0.12 0.09 0.00 1.84 0.00 0.00 41.12 43.32 3nk7 n ASP 198 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3nk7 n GLY 199 N -2.23 0.34 0.13 0.44 0.00 -1.10 -4.96 105.19 97.82 3nk7 n GLY 199 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 3nk7 n GLY 199 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3nk7 h ASP 200 N 0.07 0.19 -3.35 1.61 2.03 -1.79 -3.38 116.42 111.79 3nk7 h ASP 200 Ca -0.49 -0.14 -0.59 0.00 -0.73 0.00 0.00 57.03 55.08 3nk7 h ASP 200 Cb 1.33 -0.06 -0.10 0.00 -0.83 0.00 0.00 39.33 39.67 3nk7 h ASP 200 CO 0.51 0.90 -0.23 -0.22 -1.03 0.00 0.00 179.24 179.16 3nk7 s LEU 201 N -7.50 4.23 0.45 0.15 2.96 -0.31 -4.95 118.68 113.70 3nk7 s LEU 201 Ca -0.02 0.61 -0.23 0.00 -0.22 0.00 0.00 54.13 54.26 3nk7 s LEU 201 Cb 0.11 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 3nk7 s LEU 201 CO 0.81 0.02 1.19 -0.83 -1.32 0.00 0.00 176.35 176.22 3nk7 s GLY 202 N 0.68 2.82 0.58 7.98 0.00 -1.26 -1.09 107.32 117.02 3nk7 s GLY 202 Ca 0.20 1.00 0.34 0.00 0.00 0.00 0.00 44.72 46.26 3nk7 s GLY 202 CO 0.07 1.48 2.16 -0.24 0.00 0.00 0.00 173.10 176.57 3nk7 h VAL 203 N 1.97 0.27 0.00 1.40 3.04 -1.53 -1.06 116.25 120.34 3nk7 h VAL 203 Ca -0.49 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3nk7 h VAL 203 Cb 1.25 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 3nk7 h VAL 203 CO 0.61 0.05 0.00 0.29 -1.01 0.00 0.00 177.57 177.50 3nk7 n LYS 204 N -3.37 0.01 0.00 4.17 5.02 -1.26 -1.78 118.16 120.95 3nk7 n LYS 204 Ca -0.02 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.65 3nk7 n LYS 204 Cb 0.19 -1.52 0.20 0.00 -0.02 0.00 0.00 35.03 33.88 3nk7 n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3nk7 n ASP 205 N -1.54 2.52 -0.04 4.39 8.00 -0.40 -4.51 116.55 124.96 3nk7 n ASP 205 Ca 0.04 -1.82 -0.01 0.00 0.71 0.00 0.00 54.79 53.70 3nk7 n ASP 205 Cb 0.18 0.03 0.26 0.00 -0.02 0.00 0.00 41.12 41.57 3nk7 n ASP 205 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3nk7 h LEU 206 N 3.90 0.58 -1.96 0.64 5.85 -1.47 -2.16 115.31 120.69 3nk7 h LEU 206 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3nk7 h LEU 206 Cb 0.85 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3nk7 h LEU 206 CO 0.00 0.63 0.00 1.23 -0.34 0.00 0.00 178.44 179.96 3nk7 h GLY 207 N 0.88 0.00 1.22 3.75 0.00 -1.78 -3.14 103.07 104.00 3nk7 h GLY 207 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3nk7 h GLY 207 CO 0.01 0.00 0.10 -0.55 0.00 0.00 0.00 176.54 176.10 3nk7 h ASP 208 N 0.00 0.92 -2.67 0.19 3.32 -1.71 -3.41 116.42 113.06 3nk7 h ASP 208 Ca 0.00 -0.20 -0.57 0.00 0.02 0.00 0.00 57.03 56.28 3nk7 h ASP 208 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3nk7 h ASP 208 CO 0.00 0.91 1.22 -0.60 -1.72 0.00 0.00 179.24 179.06 3nk7 s ARG 209 N -5.18 3.56 0.24 3.56 3.52 -1.19 -4.90 118.95 118.55 3nk7 s ARG 209 Ca -0.11 1.61 -0.05 0.00 -0.13 0.00 0.00 55.73 57.05 3nk7 s ARG 209 Cb 0.15 -4.14 0.25 0.00 -1.56 0.00 0.00 34.95 29.65 3nk7 s ARG 209 CO 0.83 -1.59 1.77 0.00 -0.81 0.00 0.00 175.30 175.50 3nk7 h ALA 210 N 11.98 1.08 -2.46 6.12 0.00 -1.90 -3.46 119.26 130.62 3nk7 h ALA 210 Ca -0.35 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 53.86 3nk7 h ALA 210 Cb 1.17 -0.25 0.08 0.00 0.00 0.00 0.00 17.79 18.78 3nk7 h ALA 210 CO 1.01 0.62 0.36 -0.51 0.00 0.00 0.00 179.25 180.72 3nk7 s ASP 211 N -6.50 5.22 0.83 0.00 1.01 -1.26 -5.03 116.67 110.94 3nk7 s ASP 211 Ca -0.11 0.93 -0.11 0.00 0.71 0.00 0.00 52.55 53.98 3nk7 s ASP 211 Cb 0.15 -1.69 0.09 0.00 1.01 0.00 0.00 42.92 42.48 3nk7 s ASP 211 CO 0.83 -1.43 1.10 0.00 0.21 0.00 0.00 175.17 175.88 3nk7 s ARG 212 N -5.33 1.81 0.19 8.23 1.70 -1.26 -5.03 118.95 119.24 3nk7 s ARG 212 Ca 0.58 1.21 -0.12 0.00 -0.47 0.00 0.00 55.73 56.94 3nk7 s ARG 212 Cb -0.11 -1.84 0.00 0.00 -0.57 0.00 0.00 34.95 32.43 3nk7 s ARG 212 CO 0.49 -1.97 0.38 0.00 -1.08 0.00 0.00 175.30 173.12 3nk7 s MET 213 N -4.84 1.28 -0.13 3.89 0.23 -1.26 -4.53 119.30 113.93 3nk7 s MET 213 Ca 0.63 -1.11 -0.05 0.00 -1.03 0.00 0.00 55.69 54.13 3nk7 s MET 213 Cb -0.19 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 3nk7 s MET 213 CO 0.57 -0.50 0.05 0.00 -2.03 0.00 0.00 175.02 173.11 3nk7 s ALA 214 N -3.95 3.44 -0.15 3.16 0.00 -0.59 -0.18 121.76 123.49 3nk7 s ALA 214 Ca 0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3nk7 s ALA 214 Cb 0.02 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3nk7 s ALA 214 CO 0.01 0.46 -0.07 -0.51 0.00 0.00 0.00 175.76 175.64 3nk7 s LEU 215 N -0.48 3.01 -0.12 0.00 2.01 -0.14 -0.73 118.68 122.23 3nk7 s LEU 215 Ca 0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 54.13 53.99 3nk7 s LEU 215 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 46.19 44.34 3nk7 s LEU 215 CO 0.02 0.15 -0.07 -0.69 1.01 0.00 0.00 176.35 176.77 3nk7 s VAL 216 N 0.47 3.68 -0.04 -1.59 1.01 -0.44 -1.06 120.40 122.42 3nk7 s VAL 216 Ca -0.06 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3nk7 s VAL 216 Cb -0.15 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3nk7 s VAL 216 CO 0.03 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.12 3nk7 s PHE 217 N -0.08 1.89 0.49 5.22 0.08 -0.16 -1.52 117.98 123.89 3nk7 s PHE 217 Ca 0.01 -0.48 0.08 0.00 0.12 0.00 0.00 56.93 56.66 3nk7 s PHE 217 Cb -0.13 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 3nk7 s PHE 217 CO 0.03 -0.12 0.56 0.20 -0.10 0.00 0.00 175.22 175.79 3nk7 s GLY 218 N -0.19 2.01 1.11 4.36 0.00 -1.26 -0.94 107.32 112.40 3nk7 s GLY 218 Ca 0.01 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.74 3nk7 s GLY 218 CO 0.01 -1.69 1.18 -1.35 0.00 0.00 0.00 173.10 171.25 3nk7 s SER 219 N -4.38 1.77 0.00 1.64 1.04 -1.22 -4.73 113.70 107.81 3nk7 s SER 219 Ca 0.52 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.48 3nk7 s SER 219 Cb -0.05 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.33 3nk7 s SER 219 CO 0.31 -3.59 0.27 -1.84 0.98 0.00 0.00 173.24 169.37 3nk7 n GLU 220 N -4.39 0.00 0.00 4.02 0.28 -1.26 -3.01 120.64 116.28 3nk7 n GLU 220 Ca 0.13 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 3nk7 n GLU 220 Cb 0.59 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.70 3nk7 n GLU 220 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3nk7 n LYS 221 N -0.44 0.00 -0.27 3.44 2.85 -1.26 -4.29 118.16 118.18 3nk7 n LYS 221 Ca 0.00 0.17 -0.02 0.00 -1.05 0.00 0.00 58.31 57.41 3nk7 n LYS 221 Cb 0.00 -0.69 0.10 0.00 -0.65 0.00 0.00 35.03 33.80 3nk7 n LYS 221 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3nk7 h GLY 222 N 0.00 1.12 0.00 2.58 0.00 -1.96 -3.49 103.07 101.31 3nk7 h GLY 222 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3nk7 h GLY 222 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.41 3nk7 n GLY 223 N -1.31 -1.79 3.84 4.60 0.00 -1.17 -4.89 105.19 104.49 3nk7 n GLY 223 Ca 0.09 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 3nk7 n GLY 223 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nk7 s PRO 224 N 0.00 4.01 0.20 1.61 0.05 -1.26 -3.60 135.00 136.01 3nk7 s PRO 224 Ca 0.00 0.56 -0.03 0.00 0.05 0.00 0.00 61.00 61.58 3nk7 s PRO 224 Cb 0.00 -2.80 0.05 0.00 0.05 0.00 0.00 34.50 31.80 3nk7 s PRO 224 CO 0.00 0.39 0.16 -1.13 0.05 0.00 0.00 177.00 176.47 3nk7 n SER 225 N 0.45 -1.45 0.05 6.66 3.41 -1.26 -4.89 113.62 116.59 3nk7 n SER 225 Ca -0.02 -0.49 -0.11 0.00 -0.26 0.00 0.00 58.87 57.98 3nk7 n SER 225 Cb 0.52 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 3nk7 n SER 225 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3nk7 h GLY 226 N -0.98 0.12 -0.18 5.00 0.00 -1.98 -3.24 103.07 101.81 3nk7 h GLY 226 Ca -0.06 -0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.07 3nk7 h GLY 226 CO 0.04 0.27 -0.20 1.41 0.00 0.00 0.00 176.54 178.06 3nk7 h LEU 227 N 0.03 -0.70 -0.27 3.11 3.38 -1.98 -1.17 115.31 117.71 3nk7 h LEU 227 Ca -0.16 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3nk7 h LEU 227 Cb 1.92 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 43.07 3nk7 h LEU 227 CO 0.13 -0.23 -0.08 -0.26 0.09 0.00 0.00 178.44 178.09 3nk7 h PHE 228 N -0.07 0.59 0.00 1.13 0.04 -1.94 -2.80 116.94 113.89 3nk7 h PHE 228 Ca 0.25 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3nk7 h PHE 228 Cb 0.46 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3nk7 h PHE 228 CO -0.50 0.75 0.17 0.37 -0.60 0.00 0.00 178.31 178.49 3nk7 h GLN 229 N 0.27 0.00 0.03 1.51 5.75 -1.43 -0.46 115.11 120.78 3nk7 h GLN 229 Ca 0.06 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.22 3nk7 h GLN 229 Cb 0.57 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 3nk7 h GLN 229 CO 0.03 0.00 -2.03 0.39 -2.65 0.00 0.00 178.83 174.57 3nk7 n GLU 230 N -2.62 0.68 0.00 1.69 1.02 -0.50 -4.19 120.64 116.73 3nk7 n GLU 230 Ca -0.02 0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 3nk7 n GLU 230 Cb 0.21 -1.68 0.37 0.00 -0.02 0.00 0.00 31.44 30.32 3nk7 n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nk7 n ALA 231 N -2.80 3.12 -1.71 0.62 0.00 -0.62 -4.95 120.51 114.16 3nk7 n ALA 231 Ca -0.28 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3nk7 n ALA 231 Cb 1.07 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.28 3nk7 n ALA 231 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3nk7 n SER 232 N -1.54 2.93 -1.34 0.00 2.88 -0.28 -4.69 113.62 111.59 3nk7 n SER 232 Ca 0.06 1.20 0.06 0.00 -1.33 0.00 0.00 58.87 58.86 3nk7 n SER 232 Cb 0.34 -1.51 0.27 0.00 -0.75 0.00 0.00 64.21 62.56 3nk7 n SER 232 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nk7 n ALA 233 N 0.29 3.20 0.00 -1.46 0.00 0.36 -4.98 120.51 117.92 3nk7 n ALA 233 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3nk7 n ALA 233 Cb 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3nk7 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nk7 n GLY 234 N 0.65 3.68 3.51 0.00 0.00 -1.26 -4.97 105.19 106.80 3nk7 n GLY 234 Ca 0.19 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 3nk7 n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3nk7 s THR 235 N -2.00 3.13 -0.05 2.61 -4.23 -1.26 -1.31 115.64 112.53 3nk7 s THR 235 Ca 0.00 -0.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 3nk7 s THR 235 Cb 0.00 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 3nk7 s THR 235 CO 0.00 0.40 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.55 3nk7 s VAL 236 N -0.92 1.94 0.01 2.29 1.01 0.17 -1.16 120.40 123.75 3nk7 s VAL 236 Ca 0.15 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3nk7 s VAL 236 Cb -0.11 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3nk7 s VAL 236 CO 0.05 0.54 -0.25 -0.55 0.00 0.00 0.00 175.10 174.90 3nk7 s SER 237 N -0.17 2.93 -0.29 3.32 0.15 -0.25 -0.20 113.70 119.18 3nk7 s SER 237 Ca -0.02 -0.51 -0.10 0.00 0.70 0.00 0.00 55.95 56.02 3nk7 s SER 237 Cb -0.13 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 3nk7 s SER 237 CO 0.03 0.27 0.17 -0.63 1.20 0.00 0.00 173.24 174.28 3nk7 s ILE 238 N -0.69 5.01 0.28 6.45 1.01 -1.26 -1.21 121.20 130.79 3nk7 s ILE 238 Ca 0.10 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 3nk7 s ILE 238 Cb -0.10 -3.43 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3nk7 s ILE 238 CO 0.00 0.21 1.53 -2.65 0.00 0.00 0.00 174.94 174.03 3nk7 n PRO 239 N 5.03 2.47 -4.53 2.79 -0.02 -1.26 -4.97 135.00 134.51 3nk7 n PRO 239 Ca -0.14 0.88 -0.25 0.00 -2.02 0.00 0.00 63.50 61.96 3nk7 n PRO 239 Cb 0.51 -2.61 -0.09 0.00 -0.02 0.00 0.00 33.50 31.29 3nk7 n PRO 239 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3nk7 s MET 240 N -0.48 1.87 0.19 -0.52 -1.94 -1.26 -5.04 119.30 112.12 3nk7 s MET 240 Ca 0.65 -2.12 -0.10 0.00 -1.71 0.00 0.00 55.69 52.41 3nk7 s MET 240 Cb -0.55 -0.85 0.11 0.00 2.01 0.00 0.00 34.83 35.55 3nk7 s MET 240 CO 0.49 -0.35 1.75 1.25 -0.01 0.00 0.00 175.02 178.15 3nk7 h LEU 241 N 1.84 0.92 -7.98 -0.03 6.46 -1.98 -3.44 115.31 111.11 3nk7 h LEU 241 Ca -0.39 -0.16 -0.15 0.00 -0.12 0.00 0.00 57.88 57.06 3nk7 h LEU 241 Cb 1.27 -0.24 -0.19 0.00 -0.73 0.00 0.00 40.66 40.77 3nk7 h LEU 241 CO 0.64 0.83 -0.63 -0.55 -0.62 0.00 0.00 178.44 178.11 3nk7 s SER 242 N -6.17 0.24 0.00 1.25 0.15 -1.26 -5.05 113.70 102.86 3nk7 s SER 242 Ca -0.13 -0.56 0.19 0.00 0.70 0.00 0.00 55.95 56.16 3nk7 s SER 242 Cb 0.14 0.16 1.13 0.00 -1.71 0.00 0.00 66.02 65.74 3nk7 s SER 242 CO 0.81 -0.40 1.73 -1.54 1.20 0.00 0.00 173.24 175.04 3nk7 n SER 243 N 1.16 0.04 -0.12 5.45 3.41 -1.26 -2.93 113.62 119.35 3nk7 n SER 243 Ca -0.21 -1.41 0.11 0.00 -0.26 0.00 0.00 58.87 57.10 3nk7 n SER 243 Cb 0.57 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3nk7 n SER 243 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3nk7 n THR 244 N -0.77 0.00 -1.90 6.66 -2.24 -1.26 -4.96 114.28 109.80 3nk7 n THR 244 Ca 0.14 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.57 3nk7 n THR 244 Cb 0.07 0.95 0.10 0.00 -2.10 0.00 0.00 70.33 69.35 3nk7 n THR 244 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3nk7 s GLU 245 N -2.86 1.80 -0.01 -0.78 2.02 -1.15 -5.10 118.70 112.62 3nk7 s GLU 245 Ca 0.11 0.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.96 3nk7 s GLU 245 Cb 0.17 -1.94 0.04 0.00 0.10 0.00 0.00 34.13 32.50 3nk7 s GLU 245 CO 0.77 -1.70 0.43 -1.54 0.02 0.00 0.00 175.26 173.24 3nk7 s SER 246 N -4.61 -0.33 0.06 -0.19 1.04 -1.26 -5.00 113.70 103.40 3nk7 s SER 246 Ca 0.63 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3nk7 s SER 246 Cb -0.10 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 3nk7 s SER 246 CO 0.49 -0.55 0.21 -0.76 0.98 0.00 0.00 173.24 173.62 3nk7 s LEU 247 N -1.47 4.34 0.26 2.42 1.43 -1.26 -5.07 118.68 119.32 3nk7 s LEU 247 Ca -0.11 0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 3nk7 s LEU 247 Cb -0.03 -2.94 -0.16 0.00 0.03 0.00 0.00 46.19 43.10 3nk7 s LEU 247 CO 0.04 0.17 0.57 -3.20 0.23 0.00 0.00 176.35 174.16 3nk7 n ASN 248 N 0.27 -0.88 -0.26 2.29 2.85 -1.26 -4.79 115.26 113.48 3nk7 n ASN 248 Ca -0.05 1.09 -0.04 0.00 -0.11 0.00 0.00 54.58 55.47 3nk7 n ASN 248 Cb 0.51 -1.02 0.13 0.00 1.24 0.00 0.00 39.78 40.63 3nk7 n ASN 248 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3nk7 h VAL 249 N 1.11 1.24 -0.78 3.44 3.04 -1.95 -1.60 116.25 120.75 3nk7 h VAL 249 Ca -0.32 -0.71 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 3nk7 h VAL 249 Cb 1.42 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.95 3nk7 h VAL 249 CO 0.56 0.30 0.43 -1.28 -1.01 0.00 0.00 177.57 176.57 3nk7 h SER 250 N 1.09 0.97 -0.63 3.17 0.87 -1.90 -0.58 113.55 116.54 3nk7 h SER 250 Ca 0.26 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3nk7 h SER 250 Cb 0.14 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3nk7 h SER 250 CO -0.03 0.79 0.30 0.58 -0.53 0.00 0.00 176.83 177.93 3nk7 h VAL 251 N 1.08 1.22 -0.66 2.23 2.07 -1.81 -2.09 116.25 118.29 3nk7 h VAL 251 Ca 0.28 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3nk7 h VAL 251 Cb 0.03 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3nk7 h VAL 251 CO -0.04 0.26 0.42 0.28 0.02 0.00 0.00 177.57 178.51 3nk7 h SER 252 N 0.87 0.72 -0.70 0.57 0.02 -0.88 -1.86 113.55 112.28 3nk7 h SER 252 Ca 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3nk7 h SER 252 Cb 0.13 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3nk7 h SER 252 CO -0.03 0.51 0.41 0.58 -1.14 0.00 0.00 176.83 177.16 3nk7 h VAL 253 N 0.85 1.21 -0.21 2.27 2.07 -0.74 -1.41 116.25 120.29 3nk7 h VAL 253 Ca 0.25 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3nk7 h VAL 253 Cb -0.04 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3nk7 h VAL 253 CO -0.08 0.22 0.11 1.23 0.02 0.00 0.00 177.57 179.07 3nk7 h GLY 254 N 0.95 0.28 0.92 2.17 0.00 -0.71 -0.49 103.07 106.19 3nk7 h GLY 254 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3nk7 h GLY 254 CO -0.04 0.07 0.10 -2.22 0.00 0.00 0.00 176.54 174.44 3nk7 h ILE 255 N 0.23 1.13 -0.42 2.60 2.04 -1.20 0.29 117.51 122.18 3nk7 h ILE 255 Ca 0.08 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 3nk7 h ILE 255 Cb 0.02 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3nk7 h ILE 255 CO -0.06 0.13 -0.09 0.00 0.00 0.00 0.00 178.15 178.14 3nk7 h ALA 256 N 0.96 0.58 0.00 1.87 0.00 -1.11 -2.14 119.26 119.41 3nk7 h ALA 256 Ca 0.07 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3nk7 h ALA 256 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3nk7 h ALA 256 CO -0.01 0.44 -0.51 -0.07 0.00 0.00 0.00 179.25 179.10 3nk7 h LEU 257 N 0.62 0.00 -0.76 0.00 3.38 -1.01 -2.34 115.31 115.20 3nk7 h LEU 257 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3nk7 h LEU 257 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3nk7 h LEU 257 CO 0.04 0.51 0.36 -0.74 0.09 0.00 0.00 178.44 178.70 3nk7 h HIS 258 N 0.00 1.10 0.00 1.13 2.76 -0.09 -1.80 115.15 118.25 3nk7 h HIS 258 Ca -0.01 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 3nk7 h HIS 258 Cb 0.98 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 3nk7 h HIS 258 CO 0.00 0.81 -0.16 0.93 -1.30 0.00 0.00 177.93 178.21 3nk7 h GLU 259 N 1.07 0.00 -0.12 5.26 4.39 -0.92 -2.40 114.58 121.87 3nk7 h GLU 259 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3nk7 h GLU 259 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3nk7 h GLU 259 CO -0.03 0.16 0.00 0.54 -1.16 0.00 0.00 179.01 178.51 3nk7 n ARG 260 N -3.57 1.95 -0.03 2.33 5.12 -0.90 -3.37 116.66 118.20 3nk7 n ARG 260 Ca -0.01 -1.41 -0.06 0.00 -1.93 0.00 0.00 57.85 54.44 3nk7 n ARG 260 Cb 0.30 -1.46 0.14 0.00 -1.16 0.00 0.00 32.46 30.28 3nk7 n ARG 260 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3nk7 h SER 261 N 3.14 0.61 -0.33 0.55 4.64 -0.80 -1.11 113.55 120.25 3nk7 h SER 261 Ca 0.00 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3nk7 h SER 261 Cb 0.68 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3nk7 h SER 261 CO 0.00 0.87 0.20 0.00 -0.87 0.00 0.00 176.83 177.03 3nk7 h ALA 262 N 1.18 0.41 0.14 5.18 0.00 -1.83 0.30 119.26 124.64 3nk7 h ALA 262 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3nk7 h ALA 262 Cb 0.75 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3nk7 h ALA 262 CO 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 179.25 178.83 3nk7 h ARG 263 N 0.41 -0.54 -0.36 0.00 -0.00 -1.78 -1.43 114.38 110.67 3nk7 h ARG 263 Ca 0.13 0.04 -0.15 0.00 -0.50 0.00 0.00 59.98 59.49 3nk7 h ARG 263 Cb -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.07 3nk7 h ARG 263 CO -0.05 -0.36 -0.37 -0.91 0.00 0.00 0.00 179.97 178.28 3nk7 h ASN 264 N -0.56 0.91 -0.61 7.04 2.35 -1.08 -2.68 115.58 120.96 3nk7 h ASN 264 Ca 0.03 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.41 3nk7 h ASN 264 Cb 0.58 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 3nk7 h ASN 264 CO -0.18 1.18 0.36 -0.26 -1.65 0.00 0.00 177.43 176.88 3nk7 h PHE 265 N 0.71 0.66 -0.41 1.19 0.04 -0.40 0.62 116.94 119.35 3nk7 h PHE 265 Ca 0.06 0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.93 3nk7 h PHE 265 Cb 0.94 -0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.81 3nk7 h PHE 265 CO 0.06 0.36 -0.04 0.00 -0.60 0.00 0.00 178.31 178.08 3nk7 h ALA 266 N 1.28 0.33 -0.47 2.45 0.00 -1.09 0.34 119.26 122.11 3nk7 h ALA 266 Ca 0.25 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3nk7 h ALA 266 Cb 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3nk7 h ALA 266 CO -0.13 -0.42 0.27 0.28 0.00 0.00 0.00 179.25 179.25 3nk7 h VAL 267 N 0.06 1.16 -0.81 0.00 2.07 -1.08 -1.53 116.25 116.11 3nk7 h VAL 267 Ca 0.20 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3nk7 h VAL 267 Cb 0.30 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3nk7 h VAL 267 CO -0.37 0.16 0.40 0.03 0.02 0.00 0.00 177.57 177.80 3nk7 h ARG 268 N 0.62 1.17 -0.50 1.57 2.47 -0.39 -1.87 114.38 117.45 3nk7 h ARG 268 Ca 0.17 -0.17 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3nk7 h ARG 268 Cb 0.02 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.12 3nk7 h ARG 268 CO -0.03 0.90 -0.19 0.00 0.56 0.00 0.00 179.97 181.21 3nk7 h ARG 269 N 1.15 1.01 -0.45 0.04 3.08 -0.77 -1.39 114.38 117.06 3nk7 h ARG 269 Ca 0.28 -0.42 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 3nk7 h ARG 269 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3nk7 h ARG 269 CO -0.04 1.10 -0.22 0.00 -1.07 0.00 0.00 179.97 179.74 3nk7 h ALA 270 N 0.89 0.76 -0.50 0.04 0.00 -1.09 -2.75 119.26 116.62 3nk7 h ALA 270 Ca 0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3nk7 h ALA 270 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3nk7 h ALA 270 CO 0.06 0.66 0.10 0.00 0.00 0.00 0.00 179.25 180.07 3nk7 h ALA 271 N 0.95 1.25 0.00 0.00 0.00 -1.20 -1.77 119.26 118.49 3nk7 h ALA 271 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3nk7 h ALA 271 Cb 0.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3nk7 h ALA 271 CO 0.06 0.52 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 3nk7 h ALA 272 N 1.38 1.47 -0.54 0.00 0.00 -0.97 -1.65 119.26 118.95 3nk7 h ALA 272 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3nk7 h ALA 272 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3nk7 h ALA 272 CO 0.00 0.15 0.08 1.04 0.00 0.00 0.00 179.25 180.52 3nk7 n GLN 273 N -3.91 3.99 0.00 0.00 6.02 -0.67 -5.10 117.38 117.70 3nk7 n GLN 273 Ca -0.02 -2.65 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 3nk7 n GLN 273 Cb 0.21 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.34 3nk7 n GLN 273 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05