#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7k h VAL 31 N 0.00 1.37 -0.64 0.52 2.07 -1.99 -1.41 116.25 116.17 1i7k h VAL 31 Ca 0.00 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.55 1i7k h VAL 31 Cb 0.00 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1i7k h VAL 31 CO 0.00 0.57 0.22 1.23 0.02 0.00 0.00 177.57 179.61 1i7k h GLY 32 N 0.09 1.04 0.91 2.17 0.00 -1.99 -1.45 103.07 103.83 1i7k h GLY 32 Ca -0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1i7k h GLY 32 CO 0.12 0.54 0.09 0.50 0.00 0.00 0.00 176.54 177.79 1i7k h LYS 33 N 0.94 0.30 -0.77 4.80 1.57 -1.98 -1.68 116.57 119.74 1i7k h LYS 33 Ca 0.21 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1i7k h LYS 33 Cb 0.24 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1i7k h LYS 33 CO -0.01 0.33 0.49 -0.09 -0.57 0.00 0.00 179.45 179.60 1i7k h ARG 34 N 0.19 0.93 -0.52 3.15 2.43 -1.03 -0.53 114.38 119.00 1i7k h ARG 34 Ca 0.07 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1i7k h ARG 34 Cb 0.14 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1i7k h ARG 34 CO -0.01 0.61 0.13 -0.07 -1.51 0.00 0.00 179.97 179.12 1i7k h LEU 35 N 0.96 0.74 -0.83 3.80 3.38 -0.80 0.17 115.31 122.73 1i7k h LEU 35 Ca 0.31 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1i7k h LEU 35 Cb 0.02 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1i7k h LEU 35 CO -0.11 0.73 -0.06 1.56 0.09 0.00 0.00 178.44 180.64 1i7k h GLN 36 N 0.77 0.81 -0.37 1.13 4.20 -0.71 -1.07 115.11 119.87 1i7k h GLN 36 Ca 0.17 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1i7k h GLN 36 Cb 0.28 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1i7k h GLN 36 CO -0.00 0.86 -0.29 1.96 -0.67 0.00 0.00 178.83 180.69 1i7k h GLN 37 N 0.74 0.78 -0.50 1.46 4.20 -0.25 -2.24 115.11 119.30 1i7k h GLN 37 Ca 0.13 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1i7k h GLN 37 Cb 0.54 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1i7k h GLN 37 CO 0.03 0.97 0.12 0.93 -0.67 0.00 0.00 178.83 180.21 1i7k h GLU 38 N 0.66 0.76 -0.35 1.46 5.08 -0.17 -0.67 114.58 121.35 1i7k h GLU 38 Ca 0.08 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1i7k h GLU 38 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1i7k h GLU 38 CO 0.07 0.69 0.10 1.25 -1.00 0.00 0.00 179.01 180.11 1i7k h LEU 39 N 0.74 0.53 -0.81 1.33 5.85 -0.94 -1.47 115.31 120.53 1i7k h LEU 39 Ca 0.16 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1i7k h LEU 39 Cb 0.27 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1i7k h LEU 39 CO -0.00 0.61 0.48 0.24 -0.34 0.00 0.00 178.44 179.42 1i7k h MET 40 N 0.42 1.11 -0.29 1.25 2.86 -0.99 0.31 114.93 119.60 1i7k h MET 40 Ca 0.11 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1i7k h MET 40 Cb 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1i7k h MET 40 CO -0.00 0.80 0.19 1.15 1.06 0.00 0.00 176.91 180.10 1i7k h THR 41 N 1.12 1.07 -0.47 2.22 2.02 -0.97 -1.64 112.91 116.25 1i7k h THR 41 Ca 0.29 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1i7k h THR 41 Cb -0.02 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1i7k h THR 41 CO -0.05 0.07 0.28 0.25 0.37 0.00 0.00 175.52 176.44 1i7k h LEU 42 N 0.38 0.46 -0.54 2.58 5.85 -0.66 -2.16 115.31 121.22 1i7k h LEU 42 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1i7k h LEU 42 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1i7k h LEU 42 CO -0.03 0.33 0.27 0.24 -0.34 0.00 0.00 178.44 178.92 1i7k h MET 43 N 0.57 0.77 -0.00 1.25 2.86 -0.58 -3.01 114.93 116.79 1i7k h MET 43 Ca 0.19 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1i7k h MET 43 Cb 0.01 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1i7k h MET 43 CO -0.08 0.62 -0.09 -1.33 1.06 0.00 0.00 176.91 177.09 1i7k n MET 44 N -4.59 0.38 0.09 1.72 2.81 -0.65 -3.69 117.12 113.19 1i7k n MET 44 Ca 0.03 -0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 55.79 1i7k n MET 44 Cb 0.11 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 1i7k n MET 44 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1i7k h SER 45 N 0.20 0.00 -3.35 7.83 0.02 -1.24 -3.48 113.55 113.53 1i7k h SER 45 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1i7k h SER 45 Cb 0.38 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.95 1i7k h SER 45 CO 0.00 0.85 -0.49 0.61 -1.14 0.00 0.00 176.83 176.66 1i7k n GLY 46 N 1.21 -0.35 3.75 -3.77 0.00 -1.24 -4.95 105.19 99.84 1i7k n GLY 46 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1i7k n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i7k s ASP 47 N -2.54 6.78 0.29 1.61 1.01 -1.26 -4.96 116.67 117.60 1i7k s ASP 47 Ca 0.16 2.57 -0.29 0.00 0.71 0.00 0.00 52.55 55.70 1i7k s ASP 47 Cb -0.07 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1i7k s ASP 47 CO 0.20 -0.59 1.17 -0.75 0.21 0.00 0.00 175.17 175.41 1i7k s LYS 48 N -0.66 4.54 0.00 8.23 2.36 -1.26 -3.64 119.74 129.30 1i7k s LYS 48 Ca 0.55 1.95 0.00 0.00 -2.55 0.00 0.00 55.97 55.92 1i7k s LYS 48 Cb -0.39 -3.15 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 1i7k s LYS 48 CO 0.44 0.07 0.00 0.41 1.55 0.00 0.00 175.35 177.82 1i7k n GLY 49 N 1.09 0.26 3.19 5.54 0.00 -1.26 -4.94 105.19 109.08 1i7k n GLY 49 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1i7k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i7k s ILE 50 N -1.54 1.56 -0.16 -0.61 -1.09 -1.24 -0.75 121.20 117.37 1i7k s ILE 50 Ca 0.00 -0.83 -0.28 0.00 -2.23 0.00 0.00 60.65 57.31 1i7k s ILE 50 Cb 0.00 -1.31 0.07 0.00 -1.58 0.00 0.00 42.46 39.64 1i7k s ILE 50 CO 0.00 0.44 0.69 -0.55 -1.23 0.00 0.00 174.94 174.29 1i7k s SER 51 N -0.33 -0.69 -0.22 3.58 0.15 -0.66 -4.84 113.70 110.68 1i7k s SER 51 Ca 0.04 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 57.49 1i7k s SER 51 Cb -0.09 0.99 0.11 0.00 -1.71 0.00 0.00 66.02 65.32 1i7k s SER 51 CO 0.00 -0.43 0.93 0.00 1.20 0.00 0.00 173.24 174.95 1i7k s ALA 52 N -0.41 -1.91 0.05 5.45 0.00 -1.26 -0.19 121.76 123.48 1i7k s ALA 52 Ca -0.06 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.60 1i7k s ALA 52 Cb -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1i7k s ALA 52 CO 0.05 -0.29 0.11 -0.06 0.00 0.00 0.00 175.76 175.58 1i7k s PHE 53 N -0.28 0.20 0.85 0.00 0.08 -0.98 -5.00 117.98 112.85 1i7k s PHE 53 Ca -0.00 -0.53 -0.12 0.00 0.12 0.00 0.00 56.93 56.40 1i7k s PHE 53 Cb -0.03 -0.14 0.10 0.00 -0.57 0.00 0.00 43.02 42.38 1i7k s PHE 53 CO -0.01 -0.40 1.10 -2.14 -0.10 0.00 0.00 175.22 173.67 1i7k s PRO 54 N -2.86 1.64 0.40 0.24 0.02 -1.26 -1.39 135.00 131.78 1i7k s PRO 54 Ca -0.03 0.62 -0.21 0.00 0.02 0.00 0.00 61.00 61.40 1i7k s PRO 54 Cb 0.00 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 1i7k s PRO 54 CO -0.06 -1.92 0.92 -1.21 -0.33 0.00 0.00 177.00 174.40 1i7k s GLU 55 N -5.11 4.26 0.53 5.54 0.41 -0.33 -4.81 118.70 119.19 1i7k s GLU 55 Ca 0.62 1.10 0.18 0.00 -0.41 0.00 0.00 54.97 56.46 1i7k s GLU 55 Cb -0.16 -2.31 1.35 0.00 -1.78 0.00 0.00 34.13 31.23 1i7k s GLU 55 CO 0.55 0.05 2.15 0.66 -0.49 0.00 0.00 175.26 178.17 1i7k h SER 56 N 2.17 0.00 0.11 -0.19 4.64 -1.96 -2.45 113.55 115.88 1i7k h SER 56 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1i7k h SER 56 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1i7k h SER 56 CO 0.62 0.00 -0.42 -0.90 -0.87 0.00 0.00 176.83 175.26 1i7k n ASP 57 N -4.44 1.49 -3.43 4.97 3.85 -1.26 -4.83 116.55 112.90 1i7k n ASP 57 Ca -0.02 -1.17 -0.18 0.00 -0.71 0.00 0.00 54.79 52.71 1i7k n ASP 57 Cb 0.13 0.36 -0.11 0.00 -1.35 0.00 0.00 41.12 40.15 1i7k n ASP 57 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1i7k s ASN 58 N -2.54 1.61 0.14 -1.12 3.04 -0.92 -4.99 114.94 110.16 1i7k s ASN 58 Ca 0.20 -0.57 0.15 0.00 0.04 0.00 0.00 52.86 52.68 1i7k s ASN 58 Cb 0.18 0.46 0.70 0.00 -1.54 0.00 0.00 41.25 41.05 1i7k s ASN 58 CO 0.57 -0.37 1.47 -0.11 -3.04 0.00 0.00 177.10 175.63 1i7k n LEU 59 N 5.31 0.30 -1.28 3.21 7.94 -1.26 -2.63 117.00 128.60 1i7k n LEU 59 Ca -0.03 0.60 0.10 0.00 -1.11 0.00 0.00 56.01 55.57 1i7k n LEU 59 Cb 0.47 -0.59 0.30 0.00 0.53 0.00 0.00 43.42 44.13 1i7k n LEU 59 CO 0.03 -0.54 0.75 0.49 -1.11 0.00 0.00 177.39 177.01 1i7k n PHE 60 N -1.86 1.01 -3.73 1.96 3.01 -1.26 -4.77 117.46 111.82 1i7k n PHE 60 Ca 0.01 -0.46 -0.20 0.00 1.01 0.00 0.00 57.45 57.80 1i7k n PHE 60 Cb 0.12 -0.07 -0.18 0.00 -0.01 0.00 0.00 39.48 39.34 1i7k n PHE 60 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1i7k s LYS 61 N -1.34 0.19 0.24 -1.08 2.20 -1.08 -1.25 119.74 117.61 1i7k s LYS 61 Ca 0.44 0.25 0.11 0.00 -0.36 0.00 0.00 55.97 56.41 1i7k s LYS 61 Cb 0.25 -0.65 -0.05 0.00 -1.51 0.00 0.00 37.83 35.87 1i7k s LYS 61 CO 0.27 -0.29 -0.20 -1.58 -0.36 0.00 0.00 175.35 173.18 1i7k s TRP 62 N 1.95 2.18 -0.06 4.03 0.52 0.79 -1.18 118.94 127.16 1i7k s TRP 62 Ca 0.03 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1i7k s TRP 62 Cb -0.12 -1.00 -0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1i7k s TRP 62 CO -0.04 0.58 -0.21 0.08 0.02 0.00 0.00 176.95 177.39 1i7k s VAL 63 N -2.29 1.76 0.23 4.03 1.01 -0.49 -0.60 120.40 124.04 1i7k s VAL 63 Ca 0.25 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1i7k s VAL 63 Cb -0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1i7k s VAL 63 CO 0.12 0.49 0.01 -0.83 0.00 0.00 0.00 175.10 174.89 1i7k s GLY 64 N 0.06 1.54 -0.03 4.51 0.00 0.51 -2.31 107.32 111.59 1i7k s GLY 64 Ca -0.07 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1i7k s GLY 64 CO 0.04 -1.65 -0.09 -1.59 0.00 0.00 0.00 173.10 169.81 1i7k s THR 65 N -3.47 0.83 -0.02 0.90 2.01 0.73 -0.30 115.64 116.32 1i7k s THR 65 Ca 0.29 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1i7k s THR 65 Cb 0.06 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 1i7k s THR 65 CO 0.09 0.26 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.53 1i7k s ILE 66 N 0.32 1.00 -0.03 1.82 1.09 0.13 -1.65 121.20 123.88 1i7k s ILE 66 Ca -0.06 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.01 1i7k s ILE 66 Cb -0.10 -0.86 -0.03 0.00 -1.06 0.00 0.00 42.46 40.40 1i7k s ILE 66 CO 0.01 0.30 -0.03 -1.00 -0.10 0.00 0.00 174.94 174.12 1i7k s HIS 67 N -0.00 3.02 0.61 3.97 3.76 0.07 -0.63 115.29 126.09 1i7k s HIS 67 Ca -0.01 0.06 -0.19 0.00 -0.15 0.00 0.00 55.06 54.78 1i7k s HIS 67 Cb -0.08 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1i7k s HIS 67 CO 0.01 0.42 1.29 0.20 -0.85 0.00 0.00 174.74 175.80 1i7k s GLY 68 N -1.25 2.85 0.37 -2.22 0.00 -0.69 -4.89 107.32 101.49 1i7k s GLY 68 Ca 0.16 1.20 -0.27 0.00 0.00 0.00 0.00 44.72 45.82 1i7k s GLY 68 CO 0.06 1.65 1.22 0.00 0.00 0.00 0.00 173.10 176.03 1i7k s ALA 69 N -1.41 3.28 0.37 3.20 0.00 -1.26 -4.39 121.76 121.55 1i7k s ALA 69 Ca 0.79 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 53.55 1i7k s ALA 69 Cb -0.37 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 1i7k s ALA 69 CO 0.40 -0.58 1.35 0.00 0.00 0.00 0.00 175.76 176.93 1i7k n ALA 70 N 0.37 1.63 -0.11 0.00 0.00 -1.26 -2.24 120.51 118.90 1i7k n ALA 70 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1i7k n ALA 70 Cb 0.45 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1i7k n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7k n GLY 71 N 0.68 1.16 3.87 0.00 0.00 -1.26 -5.02 105.19 104.61 1i7k n GLY 71 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1i7k n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7k s THR 72 N -2.54 3.41 -0.96 2.61 -4.23 -0.95 -4.99 115.64 107.99 1i7k s THR 72 Ca 0.00 -1.33 0.13 0.00 -1.18 0.00 0.00 61.69 59.31 1i7k s THR 72 Cb 0.00 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.78 1i7k s THR 72 CO 0.00 -0.14 1.41 1.33 -0.54 0.00 0.00 174.62 176.68 1i7k n VAL 73 N -1.44 1.15 0.36 2.29 0.24 -1.26 -0.94 118.33 118.73 1i7k n VAL 73 Ca -0.01 0.30 0.10 0.00 -2.04 0.00 0.00 64.34 62.69 1i7k n VAL 73 Cb 0.60 -1.10 0.26 0.00 -1.47 0.00 0.00 33.84 32.13 1i7k n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1i7k n TYR 74 N -1.55 0.63 -1.93 6.34 4.02 -1.26 -4.94 117.16 118.46 1i7k n TYR 74 Ca 0.03 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.90 57.20 1i7k n TYR 74 Cb 0.14 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1i7k n TYR 74 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1i7k s GLU 75 N -1.37 4.01 0.00 -0.72 -1.05 -0.11 -2.01 118.70 117.44 1i7k s GLU 75 Ca 0.38 2.36 0.00 0.00 -0.15 0.00 0.00 54.97 57.55 1i7k s GLU 75 Cb 0.20 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.04 1i7k s GLU 75 CO 0.28 -0.53 0.00 -0.25 0.95 0.00 0.00 175.26 175.70 1i7k n ASP 76 N 0.26 -1.05 -4.71 0.83 10.43 -1.26 -4.92 116.55 116.12 1i7k n ASP 76 Ca 0.03 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.07 1i7k n ASP 76 Cb 0.41 -0.83 -0.08 0.00 1.84 0.00 0.00 41.12 42.47 1i7k n ASP 76 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1i7k s LEU 77 N 0.00 3.60 0.06 0.64 1.43 -0.85 -4.98 118.68 118.58 1i7k s LEU 77 Ca 0.00 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1i7k s LEU 77 Cb 0.00 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1i7k s LEU 77 CO 0.00 0.22 -0.15 0.00 0.23 0.00 0.00 176.35 176.65 1i7k s ARG 78 N -2.04 0.91 0.00 1.70 1.70 -1.26 -1.70 118.95 118.27 1i7k s ARG 78 Ca 0.24 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1i7k s ARG 78 Cb -0.12 -0.95 -0.01 0.00 -0.57 0.00 0.00 34.95 33.30 1i7k s ARG 78 CO 0.16 0.22 -0.05 0.71 -1.08 0.00 0.00 175.30 175.27 1i7k s TYR 79 N -1.09 0.42 0.00 5.89 2.02 0.20 -4.98 117.35 119.82 1i7k s TYR 79 Ca 0.01 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.49 1i7k s TYR 79 Cb -0.09 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1i7k s TYR 79 CO 0.02 -0.02 0.29 0.15 -1.57 0.00 0.00 175.55 174.42 1i7k s LYS 80 N -0.32 3.63 0.05 -0.62 1.02 -1.26 -0.69 119.74 121.54 1i7k s LYS 80 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.00 1i7k s LYS 80 Cb -0.03 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1i7k s LYS 80 CO -0.00 0.65 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.52 1i7k s LEU 81 N -1.64 2.34 0.05 3.17 1.02 0.59 0.10 118.68 124.31 1i7k s LEU 81 Ca 0.27 -0.71 0.03 0.00 0.02 0.00 0.00 54.13 53.74 1i7k s LEU 81 Cb -0.14 -0.03 -0.04 0.00 0.02 0.00 0.00 46.19 46.01 1i7k s LEU 81 CO 0.15 -0.34 0.02 -0.94 0.02 0.00 0.00 176.35 175.25 1i7k s SER 82 N -2.07 5.19 -0.10 2.29 1.04 0.24 -0.36 113.70 119.93 1i7k s SER 82 Ca -0.04 -0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1i7k s SER 82 Cb -0.04 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.77 1i7k s SER 82 CO -0.03 0.22 -0.05 -0.76 0.98 0.00 0.00 173.24 173.60 1i7k s LEU 83 N -1.99 1.04 -0.10 2.42 1.02 0.23 -2.01 118.68 119.29 1i7k s LEU 83 Ca 0.24 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 54.20 1i7k s LEU 83 Cb -0.12 -0.70 0.00 0.00 0.02 0.00 0.00 46.19 45.39 1i7k s LEU 83 CO 0.15 -0.13 -0.23 -1.61 0.02 0.00 0.00 176.35 174.56 1i7k s GLU 84 N 1.70 2.90 -0.42 1.70 2.02 0.04 -0.15 118.70 126.48 1i7k s GLU 84 Ca 0.03 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 1i7k s GLU 84 Cb -0.13 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 31.94 1i7k s GLU 84 CO -0.06 0.15 0.30 -0.06 0.02 0.00 0.00 175.26 175.60 1i7k s PHE 85 N 0.41 3.27 0.95 1.61 0.40 -0.38 -0.45 117.98 123.78 1i7k s PHE 85 Ca -0.18 -1.03 -0.12 0.00 -0.60 0.00 0.00 56.93 55.00 1i7k s PHE 85 Cb -0.18 -2.83 0.16 0.00 0.51 0.00 0.00 43.02 40.69 1i7k s PHE 85 CO 0.08 -0.74 1.12 -1.25 0.70 0.00 0.00 175.22 175.13 1i7k s PRO 86 N 1.57 0.84 0.48 0.24 0.04 -1.26 -4.90 135.00 132.01 1i7k s PRO 86 Ca 0.03 0.39 0.20 0.00 0.04 0.00 0.00 61.00 61.66 1i7k s PRO 86 Cb -0.22 -1.80 1.23 0.00 0.04 0.00 0.00 34.50 33.75 1i7k s PRO 86 CO 0.06 -2.42 1.98 0.66 0.04 0.00 0.00 177.00 177.31 1i7k h SER 87 N -1.67 0.18 0.16 6.66 4.64 -1.98 -1.69 113.55 119.86 1i7k h SER 87 Ca -0.52 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1i7k h SER 87 Cb 1.33 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1i7k h SER 87 CO 0.60 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1i7k n GLY 88 N -1.58 -1.05 3.77 -0.77 0.00 -1.26 -4.86 105.19 99.43 1i7k n GLY 88 Ca 0.11 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1i7k n GLY 88 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i7k s TYR 89 N -2.17 2.80 -2.18 1.61 5.04 -0.64 -0.77 117.35 121.05 1i7k s TYR 89 Ca 0.41 1.54 0.23 0.00 -2.44 0.00 0.00 57.07 56.81 1i7k s TYR 89 Cb 0.21 -3.32 1.09 0.00 0.35 0.00 0.00 41.96 40.29 1i7k s TYR 89 CO 0.38 -1.48 1.73 -0.35 -1.34 0.00 0.00 175.55 174.50 1i7k n PRO 90 N -0.86 1.36 -0.14 4.97 -0.04 -1.26 -4.81 135.00 134.22 1i7k n PRO 90 Ca 0.09 -0.54 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1i7k n PRO 90 Cb 0.50 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1i7k n PRO 90 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1i7k h TYR 91 N 1.16 0.93 -2.84 0.54 5.03 -1.65 -3.33 116.97 116.81 1i7k h TYR 91 Ca 0.00 -0.21 -0.64 0.00 2.58 0.00 0.00 58.73 60.47 1i7k h TYR 91 Cb 0.25 -0.22 -0.06 0.00 1.55 0.00 0.00 36.73 38.25 1i7k h TYR 91 CO 0.04 0.95 -0.42 -0.80 -1.32 0.00 0.00 178.16 176.61 1i7k s ASN 92 N -6.46 6.46 0.67 -2.11 -0.87 0.05 -4.78 114.94 107.90 1i7k s ASN 92 Ca -0.12 0.51 -0.14 0.00 -1.57 0.00 0.00 52.86 51.54 1i7k s ASN 92 Cb 0.11 -2.07 0.01 0.00 -0.02 0.00 0.00 41.25 39.27 1i7k s ASN 92 CO 0.83 0.29 1.10 0.00 -2.57 0.00 0.00 177.10 176.75 1i7k s ALA 93 N -1.24 2.47 0.72 0.60 0.00 -1.26 -3.89 121.76 119.15 1i7k s ALA 93 Ca 0.25 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1i7k s ALA 93 Cb -0.13 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1i7k s ALA 93 CO 0.14 -1.31 1.08 -1.25 0.00 0.00 0.00 175.76 174.42 1i7k s PRO 94 N -4.25 2.72 -0.25 0.00 0.04 -1.26 -4.70 135.00 127.29 1i7k s PRO 94 Ca 0.65 0.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1i7k s PRO 94 Cb -0.19 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1i7k s PRO 94 CO 0.44 -1.19 0.38 0.99 0.04 0.00 0.00 177.00 177.66 1i7k s THR 95 N -3.16 5.18 -0.12 1.26 2.01 0.40 -4.91 115.64 116.30 1i7k s THR 95 Ca 0.59 0.61 0.03 0.00 0.31 0.00 0.00 61.69 63.22 1i7k s THR 95 Cb -0.13 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1i7k s THR 95 CO 0.54 0.18 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.76 1i7k s VAL 96 N 1.87 1.84 0.02 3.82 1.01 -1.26 -0.78 120.40 126.92 1i7k s VAL 96 Ca 0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1i7k s VAL 96 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1i7k s VAL 96 CO 0.09 0.51 -0.03 -0.54 0.00 0.00 0.00 175.10 175.13 1i7k s LYS 97 N 0.77 0.33 0.17 2.72 1.02 -0.85 -4.38 119.74 119.51 1i7k s LYS 97 Ca -0.10 -0.65 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 1i7k s LYS 97 Cb -0.16 0.12 -0.07 0.00 -0.52 0.00 0.00 37.83 37.19 1i7k s LYS 97 CO 0.01 -0.05 1.10 -0.06 -0.92 0.00 0.00 175.35 175.42 1i7k s PHE 98 N -1.61 3.59 -0.16 3.18 0.08 -0.39 -0.59 117.98 122.07 1i7k s PHE 98 Ca -0.15 1.59 0.17 0.00 0.12 0.00 0.00 56.93 58.66 1i7k s PHE 98 Cb -0.09 -3.28 -0.25 0.00 -0.57 0.00 0.00 43.02 38.84 1i7k s PHE 98 CO -0.02 -0.62 0.22 1.28 -0.10 0.00 0.00 175.22 175.98 1i7k n LEU 99 N 2.49 0.19 -4.74 -0.37 4.77 0.12 -4.48 117.00 114.97 1i7k n LEU 99 Ca 0.03 0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.72 1i7k n LEU 99 Cb 0.46 0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.90 1i7k n LEU 99 CO 0.54 0.45 0.23 -0.89 -1.33 0.00 0.00 177.39 176.38 1i7k s THR 100 N -2.57 5.09 0.17 -5.08 2.01 -1.10 -4.97 115.64 109.20 1i7k s THR 100 Ca -0.09 1.09 -0.33 0.00 0.31 0.00 0.00 61.69 62.66 1i7k s THR 100 Cb 0.07 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.57 1i7k s THR 100 CO 0.83 0.36 1.52 -2.65 -0.69 0.00 0.00 174.62 173.99 1i7k n PRO 101 N 3.31 2.04 -3.92 4.92 -0.02 -1.26 -4.82 135.00 135.25 1i7k n PRO 101 Ca -0.07 0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 61.87 1i7k n PRO 101 Cb 0.51 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1i7k n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i7k s TYR 103 N 1.63 3.17 -0.19 0.00 5.04 -1.26 -4.82 117.35 120.91 1i7k s TYR 103 Ca 0.03 0.43 -0.29 0.00 -2.44 0.00 0.00 57.07 54.80 1i7k s TYR 103 Cb -0.14 -3.09 0.12 0.00 0.35 0.00 0.00 41.96 39.21 1i7k s TYR 103 CO -0.08 -0.57 1.00 -1.58 -1.34 0.00 0.00 175.55 172.97 1i7k s HIS 104 N 2.68 -0.41 0.41 4.97 2.46 -1.26 -5.02 115.29 119.10 1i7k s HIS 104 Ca 0.25 0.81 0.17 0.00 0.47 0.00 0.00 55.06 56.76 1i7k s HIS 104 Cb -0.15 0.42 1.07 0.00 -0.13 0.00 0.00 32.58 33.79 1i7k s HIS 104 CO 0.14 -0.32 1.83 -1.35 -2.47 0.00 0.00 174.74 172.57 1i7k h PRO 105 N 3.09 0.42 -0.47 2.88 0.11 -1.84 -2.80 132.00 133.38 1i7k h PRO 105 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1i7k h PRO 105 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1i7k h PRO 105 CO 0.25 0.28 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 1i7k n ASN 106 N -4.55 5.12 -4.18 -2.05 4.13 -1.26 -0.19 115.26 112.29 1i7k n ASN 106 Ca 0.21 -2.95 -0.25 0.00 1.68 0.00 0.00 54.58 53.27 1i7k n ASN 106 Cb 0.73 -0.64 -0.15 0.00 -1.54 0.00 0.00 39.78 38.18 1i7k n ASN 106 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i7k s VAL 107 N -2.76 1.41 0.10 2.41 1.01 -1.05 -1.32 120.40 120.19 1i7k s VAL 107 Ca 0.51 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1i7k s VAL 107 Cb 0.39 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1i7k s VAL 107 CO 0.14 0.36 0.12 -0.90 0.00 0.00 0.00 175.10 174.82 1i7k n ASP 108 N 2.54 0.65 0.25 3.32 5.68 -0.81 -4.21 116.55 123.98 1i7k n ASP 108 Ca -0.15 -1.30 0.17 0.00 -0.50 0.00 0.00 54.79 53.01 1i7k n ASP 108 Cb 0.54 -0.06 0.72 0.00 -1.14 0.00 0.00 41.12 41.19 1i7k n ASP 108 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1i7k h THR 109 N 0.17 0.00 -0.01 2.12 1.35 -1.94 -2.20 112.91 112.39 1i7k h THR 109 Ca -0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1i7k h THR 109 Cb 0.23 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1i7k h THR 109 CO 0.08 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 175.07 1i7k n GLN 110 N -2.87 1.22 -0.46 4.72 1.13 -1.26 -4.91 117.38 114.94 1i7k n GLN 110 Ca 0.00 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.19 1i7k n GLN 110 Cb 0.24 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1i7k n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i7k n GLY 111 N 1.35 0.76 3.77 1.08 0.00 -0.83 -4.74 105.19 106.57 1i7k n GLY 111 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1i7k n GLY 111 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i7k s ASN 112 N -2.29 5.99 -0.11 1.61 0.02 -1.26 -1.27 114.94 117.63 1i7k s ASN 112 Ca 0.00 2.31 0.03 0.00 -1.02 0.00 0.00 52.86 54.18 1i7k s ASN 112 Cb 0.00 -2.60 -0.00 0.00 0.02 0.00 0.00 41.25 38.67 1i7k s ASN 112 CO 0.00 -1.04 -0.21 -0.63 0.02 0.00 0.00 177.10 175.23 1i7k s ILE 113 N -1.58 2.28 -0.57 0.60 1.01 -1.26 -1.92 121.20 119.75 1i7k s ILE 113 Ca 0.66 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 1i7k s ILE 113 Cb -0.28 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.38 1i7k s ILE 113 CO 0.34 0.55 0.70 -0.55 0.00 0.00 0.00 174.94 175.98 1i7k s SER 114 N 0.38 6.19 -0.15 3.58 0.15 -0.43 -4.97 113.70 118.46 1i7k s SER 114 Ca -0.16 -1.27 -0.04 0.00 0.70 0.00 0.00 55.95 55.18 1i7k s SER 114 Cb -0.17 -2.31 0.07 0.00 -1.71 0.00 0.00 66.02 61.90 1i7k s SER 114 CO 0.07 -1.08 0.24 -0.22 1.20 0.00 0.00 173.24 173.45 1i7k s LEU 115 N 2.77 -0.22 0.24 3.45 2.96 -1.26 -4.92 118.68 121.70 1i7k s LEU 115 Ca 0.13 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1i7k s LEU 115 Cb -0.22 0.54 0.42 0.00 0.50 0.00 0.00 46.19 47.43 1i7k s LEU 115 CO 0.08 -0.27 1.63 -2.24 -1.32 0.00 0.00 176.35 174.23 1i7k h ASP 116 N 8.31 -0.40 0.21 3.68 2.03 -1.98 0.12 116.42 128.38 1i7k h ASP 116 Ca -0.15 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1i7k h ASP 116 Cb 1.13 0.36 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1i7k h ASP 116 CO 0.18 -0.19 0.00 0.16 -1.03 0.00 0.00 179.24 178.36 1i7k h ILE 117 N 0.08 0.00 -0.01 4.15 3.07 -1.96 0.17 117.51 123.01 1i7k h ILE 117 Ca 0.41 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 66.74 1i7k h ILE 117 Cb 0.71 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 1i7k h ILE 117 CO -0.68 0.00 -0.43 0.18 -1.05 0.00 0.00 178.15 176.16 1i7k n LEU 118 N -2.41 0.94 0.00 0.16 4.77 0.02 -2.88 117.00 117.61 1i7k n LEU 118 Ca -0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1i7k n LEU 118 Cb 0.09 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1i7k n LEU 118 CO 0.14 0.19 0.00 0.29 -1.33 0.00 0.00 177.39 176.68 1i7k n LYS 119 N -0.96 0.00 0.17 3.23 5.02 0.46 -4.82 118.16 121.26 1i7k n LYS 119 Ca 0.09 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1i7k n LYS 119 Cb 0.35 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.72 1i7k n LYS 119 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1i7k h GLU 120 N 0.00 0.04 -0.57 1.97 9.09 -1.83 -3.08 114.58 120.20 1i7k h GLU 120 Ca 0.00 -0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 1i7k h GLU 120 Cb 0.00 -0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.03 1i7k h GLU 120 CO 0.00 0.39 0.13 1.63 0.05 0.00 0.00 179.01 181.20 1i7k n LYS 121 N -4.12 3.64 -2.03 1.06 4.76 -0.46 -4.98 118.16 116.03 1i7k n LYS 121 Ca -0.02 -3.07 -0.42 0.00 -2.87 0.00 0.00 58.31 51.94 1i7k n LYS 121 Cb 0.39 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 1i7k n LYS 121 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1i7k s TRP 122 N -2.94 3.07 -0.07 2.13 -0.11 -1.14 -4.56 118.94 115.32 1i7k s TRP 122 Ca 0.51 0.97 0.05 0.00 1.22 0.00 0.00 56.10 58.85 1i7k s TRP 122 Cb 0.41 -3.80 -0.00 0.00 -1.50 0.00 0.00 33.47 28.57 1i7k s TRP 122 CO 0.12 -2.69 -0.22 0.45 -4.62 0.00 0.00 176.95 169.99 1i7k s SER 123 N 0.55 2.78 0.00 5.86 0.15 -1.26 -5.01 113.70 116.77 1i7k s SER 123 Ca 0.61 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1i7k s SER 123 Cb -0.41 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1i7k s SER 123 CO 0.40 0.18 0.99 0.00 1.20 0.00 0.00 173.24 176.01 1i7k n ALA 124 N 3.26 1.09 0.93 5.45 0.00 -1.25 -1.45 120.51 128.54 1i7k n ALA 124 Ca -0.19 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1i7k n ALA 124 Cb 0.52 -1.02 0.32 0.00 0.00 0.00 0.00 19.45 19.28 1i7k n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i7k n LEU 125 N -1.46 0.43 -4.76 0.00 4.77 -1.26 -4.90 117.00 109.83 1i7k n LEU 125 Ca 0.00 0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.73 1i7k n LEU 125 Cb 0.01 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1i7k n LEU 125 CO 0.01 0.07 0.74 -0.31 -1.33 0.00 0.00 177.39 176.57 1i7k s TYR 126 N -3.02 3.71 0.51 -1.77 2.02 -0.53 -5.06 117.35 113.20 1i7k s TYR 126 Ca 0.11 1.77 0.08 0.00 -0.37 0.00 0.00 57.07 58.66 1i7k s TYR 126 Cb 0.17 -3.18 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1i7k s TYR 126 CO 0.67 -0.22 0.55 0.16 -1.57 0.00 0.00 175.55 175.15 1i7k s ASP 127 N -1.00 5.01 0.29 2.29 -4.77 -1.26 -4.99 116.67 112.24 1i7k s ASP 127 Ca 0.44 -0.90 -0.02 0.00 -3.30 0.00 0.00 52.55 48.77 1i7k s ASP 127 Cb -0.30 0.03 0.42 0.00 -1.09 0.00 0.00 42.92 41.98 1i7k s ASP 127 CO 0.38 -1.05 1.95 0.58 0.70 0.00 0.00 175.17 177.73 1i7k h VAL 128 N 0.60 1.19 -0.55 2.11 2.07 -1.97 -2.34 116.25 117.35 1i7k h VAL 128 Ca -0.36 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1i7k h VAL 128 Cb 1.29 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1i7k h VAL 128 CO 0.50 0.21 0.35 -0.09 0.02 0.00 0.00 177.57 178.56 1i7k h ARG 129 N 1.16 0.70 -0.78 1.57 2.43 -1.95 -0.96 114.38 116.54 1i7k h ARG 129 Ca 0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1i7k h ARG 129 Cb -0.06 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 1i7k h ARG 129 CO -0.09 0.46 0.49 1.15 -1.51 0.00 0.00 179.97 180.47 1i7k h THR 130 N 0.72 1.21 -0.29 0.20 2.02 -1.83 -0.62 112.91 114.32 1i7k h THR 130 Ca 0.21 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1i7k h THR 130 Cb -0.05 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1i7k h THR 130 CO -0.06 0.21 0.11 0.40 0.37 0.00 0.00 175.52 176.55 1i7k h ILE 131 N 1.06 1.18 -0.43 3.11 2.04 -1.08 -0.84 117.51 122.55 1i7k h ILE 131 Ca 0.28 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1i7k h ILE 131 Cb -0.08 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1i7k h ILE 131 CO -0.06 0.19 0.11 -0.07 0.00 0.00 0.00 178.15 178.33 1i7k h LEU 132 N 0.31 0.65 -0.85 1.44 3.38 -0.98 -1.65 115.31 117.61 1i7k h LEU 132 Ca 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1i7k h LEU 132 Cb 0.20 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1i7k h LEU 132 CO -0.01 0.71 0.41 -0.07 0.09 0.00 0.00 178.44 179.58 1i7k h LEU 133 N 0.56 1.10 -0.71 1.67 3.38 -1.05 -0.27 115.31 119.99 1i7k h LEU 133 Ca 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1i7k h LEU 133 Cb 0.31 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1i7k h LEU 133 CO 0.00 0.92 0.25 0.28 0.09 0.00 0.00 178.44 179.98 1i7k h SER 134 N 1.20 1.01 -0.26 -0.43 0.02 -0.91 0.23 113.55 114.41 1i7k h SER 134 Ca 0.29 -0.19 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1i7k h SER 134 Cb 0.11 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1i7k h SER 134 CO -0.04 0.93 -0.52 0.40 -1.14 0.00 0.00 176.83 176.47 1i7k h ILE 135 N 1.03 1.28 -0.84 3.27 2.04 -1.07 -1.37 117.51 121.85 1i7k h ILE 135 Ca 0.23 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1i7k h ILE 135 Cb 0.26 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1i7k h ILE 135 CO -0.01 0.56 0.50 -0.61 0.00 0.00 0.00 178.15 178.59 1i7k h GLN 136 N 0.66 1.15 -0.52 2.37 4.15 -0.72 -2.23 115.11 119.96 1i7k h GLN 136 Ca 0.02 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1i7k h GLN 136 Cb 1.12 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1i7k h GLN 136 CO 0.11 0.82 0.09 1.03 -1.93 0.00 0.00 178.83 178.95 1i7k h SER 137 N 1.16 0.77 -0.51 -0.69 0.87 -0.80 -2.98 113.55 111.37 1i7k h SER 137 Ca 0.30 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1i7k h SER 137 Cb -0.03 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1i7k h SER 137 CO -0.06 0.78 0.21 0.25 -0.53 0.00 0.00 176.83 177.49 1i7k h LEU 138 N 0.78 0.74 -0.49 2.23 5.85 -0.66 -1.89 115.31 121.87 1i7k h LEU 138 Ca 0.17 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1i7k h LEU 138 Cb 0.34 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1i7k h LEU 138 CO 0.00 0.68 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.59 1i7k h LEU 139 N 0.80 -0.47 0.00 2.25 3.38 -1.30 -2.44 115.31 117.53 1i7k h LEU 139 Ca 0.19 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1i7k h LEU 139 Cb 0.18 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1i7k h LEU 139 CO -0.02 -0.17 -0.29 1.23 0.09 0.00 0.00 178.44 179.28 1i7k h GLY 140 N -0.01 0.00 -6.37 0.83 0.00 -1.57 -3.40 103.07 92.55 1i7k h GLY 140 Ca 0.24 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.98 1i7k h GLY 140 CO -0.51 0.00 -0.92 -2.21 0.00 0.00 0.00 176.54 172.90 1i7k n GLU 141 N -2.23 0.71 -1.18 4.80 2.13 -0.75 -4.99 120.64 119.13 1i7k n GLU 141 Ca 0.04 -3.48 -0.31 0.00 0.66 0.00 0.00 57.16 54.07 1i7k n GLU 141 Cb 0.44 -1.70 0.10 0.00 0.27 0.00 0.00 31.44 30.56 1i7k n GLU 141 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1i7k s PRO 142 N -0.63 2.06 -0.81 5.31 0.04 -1.14 -4.64 135.00 135.18 1i7k s PRO 142 Ca 0.33 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.43 1i7k s PRO 142 Cb 0.07 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.94 1i7k s PRO 142 CO -0.16 -1.79 0.76 1.21 0.04 0.00 0.00 177.00 177.06 1i7k s ASN 143 N -3.30 6.72 0.00 6.66 2.47 -1.26 -4.88 114.94 121.34 1i7k s ASN 143 Ca 0.62 -2.60 0.26 0.00 0.42 0.00 0.00 52.86 51.56 1i7k s ASN 143 Cb -0.18 -2.22 1.39 0.00 -1.45 0.00 0.00 41.25 38.79 1i7k s ASN 143 CO 0.56 -0.62 1.91 2.30 -3.72 0.00 0.00 177.10 177.54 1i7k n ILE 144 N 4.13 0.03 0.06 -5.21 -5.35 -1.26 -3.52 119.36 108.23 1i7k n ILE 144 Ca 0.12 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.42 1i7k n ILE 144 Cb 0.47 -0.14 -0.13 0.00 -1.74 0.00 0.00 39.64 38.09 1i7k n ILE 144 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1i7k h ASP 145 N 0.73 0.10 -2.65 7.28 3.58 -1.99 -3.39 116.42 120.09 1i7k h ASP 145 Ca 0.00 -0.12 -0.60 0.00 0.42 0.00 0.00 57.03 56.73 1i7k h ASP 145 Cb 0.16 -0.03 -0.40 0.00 1.72 0.00 0.00 39.33 40.77 1i7k h ASP 145 CO 0.00 1.09 -0.79 -0.24 -2.88 0.00 0.00 179.24 176.43 1i7k n SER 146 N -3.35 1.30 -4.93 2.28 2.88 -1.23 -5.12 113.62 105.45 1i7k n SER 146 Ca -0.05 -2.81 -0.25 0.00 -1.33 0.00 0.00 58.87 54.43 1i7k n SER 146 Cb 0.98 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 63.80 1i7k n SER 146 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1i7k s PRO 147 N -0.81 3.07 -0.15 -1.46 0.04 -1.26 -4.92 135.00 129.52 1i7k s PRO 147 Ca 0.30 -0.15 0.11 0.00 0.04 0.00 0.00 61.00 61.31 1i7k s PRO 147 Cb 0.02 -2.39 -0.17 0.00 0.04 0.00 0.00 34.50 31.99 1i7k s PRO 147 CO -0.17 -0.46 0.02 1.28 0.04 0.00 0.00 177.00 177.71 1i7k n LEU 148 N -2.35 0.38 -4.06 -3.56 4.77 0.73 -4.73 117.00 108.19 1i7k n LEU 148 Ca 0.03 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 1i7k n LEU 148 Cb 0.57 0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.79 1i7k n LEU 148 CO 0.51 0.42 0.02 0.21 -1.33 0.00 0.00 177.39 177.22 1i7k s ASN 149 N -4.92 5.09 0.28 -1.43 3.84 -0.15 -4.87 114.94 112.80 1i7k s ASN 149 Ca -0.09 -3.02 0.01 0.00 0.21 0.00 0.00 52.86 49.96 1i7k s ASN 149 Cb 0.05 -1.81 0.54 0.00 -0.55 0.00 0.00 41.25 39.48 1i7k s ASN 149 CO 0.58 -0.31 1.85 0.74 -2.79 0.00 0.00 177.10 177.16 1i7k h THR 150 N 5.15 0.95 -0.42 -5.21 2.02 -1.84 -0.42 112.91 113.14 1i7k h THR 150 Ca -0.00 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1i7k h THR 150 Cb 0.92 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1i7k h THR 150 CO 0.72 0.19 0.20 -0.74 0.37 0.00 0.00 175.52 176.25 1i7k h HIS 151 N 1.02 0.61 -0.51 3.16 -0.00 -1.97 -1.43 115.15 116.02 1i7k h HIS 151 Ca 0.48 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.71 1i7k h HIS 151 Cb 0.44 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 1i7k h HIS 151 CO -0.00 0.50 -0.11 0.00 -0.00 0.00 0.00 177.93 178.32 1i7k h ALA 152 N 1.04 0.70 -0.76 5.26 0.00 -1.73 -1.28 119.26 122.50 1i7k h ALA 152 Ca 0.14 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1i7k h ALA 152 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1i7k h ALA 152 CO -0.02 0.61 0.50 0.00 0.00 0.00 0.00 179.25 180.34 1i7k h ALA 153 N 0.91 1.56 -0.04 0.00 0.00 -0.79 -0.89 119.26 120.01 1i7k h ALA 153 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1i7k h ALA 153 Cb 0.67 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1i7k h ALA 153 CO 0.05 0.36 -0.05 0.93 0.00 0.00 0.00 179.25 180.53 1i7k h GLU 154 N 0.92 0.10 0.00 0.00 5.08 -0.88 -3.20 114.58 116.60 1i7k h GLU 154 Ca 0.31 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1i7k h GLU 154 Cb 0.07 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1i7k h GLU 154 CO -0.09 0.61 -0.11 1.25 -1.00 0.00 0.00 179.01 179.66 1i7k h LEU 155 N -0.39 0.00 -2.04 1.33 5.85 -0.95 -3.00 115.31 116.11 1i7k h LEU 155 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1i7k h LEU 155 Cb 0.60 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1i7k h LEU 155 CO 0.01 0.11 0.38 -0.25 -0.34 0.00 0.00 178.44 178.35 1i7k h TRP 156 N 0.00 0.00 0.00 1.25 2.91 -1.16 0.36 115.95 119.31 1i7k h TRP 156 Ca -0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1i7k h TRP 156 Cb 0.38 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1i7k h TRP 156 CO 0.00 0.00 -0.16 0.87 -1.03 0.00 0.00 178.44 178.12 1i7k h LYS 157 N 0.00 0.00 -3.21 2.65 1.57 -1.71 -3.31 116.57 112.56 1i7k h LYS 157 Ca 0.19 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.31 1i7k h LYS 157 Cb 0.94 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.86 1i7k h LYS 157 CO -0.00 0.16 -0.37 1.21 -0.57 0.00 0.00 179.45 179.88 1i7k s ASN 158 N -6.18 5.30 0.24 0.86 3.84 0.12 -4.98 114.94 114.14 1i7k s ASN 158 Ca -0.02 -3.73 -0.14 0.00 0.21 0.00 0.00 52.86 49.19 1i7k s ASN 158 Cb 0.12 -1.76 0.30 0.00 -0.55 0.00 0.00 41.25 39.37 1i7k s ASN 158 CO 0.60 -0.14 1.57 1.55 -2.79 0.00 0.00 177.10 177.90 1i7k h PRO 159 N 5.76 -0.03 -0.23 0.43 0.13 -1.74 0.59 132.00 136.92 1i7k h PRO 159 Ca 0.13 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.31 1i7k h PRO 159 Cb 0.79 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1i7k h PRO 159 CO 0.77 -0.02 -0.04 1.15 -0.23 0.00 0.00 178.00 179.63 1i7k h THR 160 N -0.03 0.79 -0.76 1.56 2.02 -1.93 0.72 112.91 115.28 1i7k h THR 160 Ca 0.37 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1i7k h THR 160 Cb 0.62 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1i7k h THR 160 CO -0.89 0.00 0.33 0.00 0.37 0.00 0.00 175.52 175.33 1i7k h ALA 161 N 1.22 0.99 0.40 6.16 0.00 -1.37 -2.24 119.26 124.42 1i7k h ALA 161 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1i7k h ALA 161 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1i7k h ALA 161 CO -0.22 0.59 -0.19 0.35 0.00 0.00 0.00 179.25 179.78 1i7k h PHE 162 N 1.10 -0.50 -0.80 0.00 3.57 0.15 -2.23 116.94 118.22 1i7k h PHE 162 Ca 0.26 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.94 1i7k h PHE 162 Cb 0.18 0.17 -0.13 0.00 2.79 0.00 0.00 35.95 38.96 1i7k h PHE 162 CO 0.02 -0.25 0.16 0.87 -2.23 0.00 0.00 178.31 176.87 1i7k h LYS 163 N -0.64 0.21 0.06 1.11 1.79 0.48 0.72 116.57 120.30 1i7k h LYS 163 Ca -0.06 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1i7k h LYS 163 Cb 0.47 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1i7k h LYS 163 CO 0.09 0.14 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.35 1i7k h LYS 164 N 0.21 -0.07 -0.43 3.15 3.64 -1.17 -0.79 116.57 121.11 1i7k h LYS 164 Ca 0.47 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.77 1i7k h LYS 164 Cb 0.86 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1i7k h LYS 164 CO -0.60 -0.03 -0.08 -0.92 -2.27 0.00 0.00 179.45 175.56 1i7k h TYR 165 N -0.10 0.81 -0.20 1.91 5.03 -0.71 -1.56 116.97 122.16 1i7k h TYR 165 Ca -0.01 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.17 1i7k h TYR 165 Cb 0.08 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1i7k h TYR 165 CO -0.07 0.80 0.13 1.25 -1.32 0.00 0.00 178.16 178.95 1i7k h LEU 166 N 0.69 0.23 -0.49 2.82 5.85 -0.62 0.14 115.31 123.94 1i7k h LEU 166 Ca 0.12 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1i7k h LEU 166 Cb 0.54 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1i7k h LEU 166 CO 0.03 0.18 -0.01 1.56 -0.34 0.00 0.00 178.44 179.86 1i7k h GLN 167 N 0.27 0.87 0.42 1.25 4.20 -1.04 0.20 115.11 121.28 1i7k h GLN 167 Ca 0.07 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1i7k h GLN 167 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1i7k h GLN 167 CO -0.02 0.92 -0.28 1.49 -0.67 0.00 0.00 178.83 180.28 1i7k h GLU 168 N 0.73 -0.65 -0.53 1.46 4.57 -1.03 0.26 114.58 119.39 1i7k h GLU 168 Ca 0.14 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1i7k h GLU 168 Cb 0.53 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1i7k h GLU 168 CO 0.03 -0.43 0.29 0.00 -1.18 0.00 0.00 179.01 177.71 1i7k h THR 169 N -0.67 1.18 -0.50 0.32 1.03 -0.63 -2.68 112.91 110.95 1i7k h THR 169 Ca -0.04 -0.46 0.01 0.00 -0.01 0.00 0.00 66.41 65.91 1i7k h THR 169 Cb 0.56 0.52 -0.03 0.00 -1.07 0.00 0.00 68.15 68.13 1i7k h THR 169 CO 0.03 0.19 0.32 0.22 -0.01 0.00 0.00 175.52 176.28 1i7k h TYR 170 N 0.71 0.60 -0.99 0.00 3.20 -0.39 -2.12 116.97 117.98 1i7k h TYR 170 Ca 0.19 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.27 1i7k h TYR 170 Cb 0.05 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 38.03 1i7k h TYR 170 CO -0.01 0.36 0.61 1.03 -1.64 0.00 0.00 178.16 178.51 1i7k h SER 171 N 0.64 0.70 -0.03 -2.11 0.87 -0.16 0.39 113.55 113.85 1i7k h SER 171 Ca 0.19 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1i7k h SER 171 Cb -0.03 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1i7k h SER 171 CO -0.07 0.25 0.02 0.29 -0.53 0.00 0.00 176.83 176.80 1i7k n LYS 172 N -4.70 1.07 -0.13 2.24 4.01 -0.80 -2.72 118.16 117.14 1i7k n LYS 172 Ca 0.22 -0.11 0.02 0.00 -0.51 0.00 0.00 58.31 57.94 1i7k n LYS 172 Cb 0.61 -1.18 0.03 0.00 -0.51 0.00 0.00 35.03 33.98 1i7k n LYS 172 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1i7k n GLN 173 N 0.32 1.14 -3.00 1.97 1.13 0.14 -4.89 117.38 114.19 1i7k n GLN 173 Ca 0.02 -1.38 -0.16 0.00 -1.94 0.00 0.00 57.00 53.55 1i7k n GLN 173 Cb 0.47 -0.87 -0.02 0.00 0.11 0.00 0.00 30.24 29.92 1i7k n GLN 173 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1i7k n VAL 174 N -0.48 -0.43 -1.44 5.09 0.24 -1.10 -5.05 118.33 115.17 1i7k n VAL 174 Ca 0.04 -2.53 0.00 0.00 -2.04 0.00 0.00 64.34 59.81 1i7k n VAL 174 Cb 0.51 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1i7k n VAL 174 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10