#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 1.26 -0.58 0.52 2.07 -1.94 -2.37 116.25 115.21 1i7k h VAL 31 Ca 0.00 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1i7k h VAL 31 Cb 0.00 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1i7k h VAL 31 CO 0.00 0.33 0.20 1.23 0.02 0.00 0.00 177.57 179.35 1i7k h GLY 32 N 0.46 0.93 1.03 2.17 0.00 -1.98 -0.20 103.07 105.48 1i7k h GLY 32 Ca 0.10 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1i7k h GLY 32 CO 0.02 0.47 0.04 1.70 0.00 0.00 0.00 176.54 178.78 1i7k h LYS 33 N 0.85 0.94 -0.34 4.80 1.63 -1.97 -1.28 116.57 121.20 1i7k h LYS 33 Ca 0.20 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1i7k h LYS 33 Cb 0.22 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1i7k h LYS 33 CO -0.01 0.93 0.07 -0.09 -3.45 0.00 0.00 179.45 176.90 1i7k h ARG 34 N 0.82 0.55 -0.80 1.90 9.65 -0.96 -2.25 114.38 123.29 1i7k h ARG 34 Ca 0.16 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 1i7k h ARG 34 Cb 0.48 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 1i7k h ARG 34 CO 0.02 0.61 0.43 -0.07 2.80 0.00 0.00 179.97 183.76 1i7k h LEU 35 N 0.39 1.00 -0.77 3.80 3.38 -0.82 -0.81 115.31 121.49 1i7k h LEU 35 Ca 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1i7k h LEU 35 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1i7k h LEU 35 CO 0.00 0.82 0.33 1.56 0.09 0.00 0.00 178.44 181.24 1i7k h GLN 36 N 1.11 1.14 -0.72 1.13 4.20 -1.14 -1.18 115.11 119.66 1i7k h GLN 36 Ca 0.28 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1i7k h GLN 36 Cb 0.05 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1i7k h GLN 36 CO -0.04 0.92 0.39 0.37 -0.67 0.00 0.00 178.83 179.79 1i7k h GLN 37 N 1.11 1.01 -0.54 1.46 4.15 -0.79 -1.69 115.11 119.83 1i7k h GLN 37 Ca 0.26 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.48 1i7k h GLN 37 Cb 0.18 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1i7k h GLN 37 CO -0.03 0.76 0.03 0.93 -1.93 0.00 0.00 178.83 178.58 1i7k h GLU 38 N 0.99 0.90 -0.52 1.69 5.08 -0.65 -1.39 114.58 120.67 1i7k h GLU 38 Ca 0.25 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1i7k h GLU 38 Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1i7k h GLU 38 CO -0.04 0.88 0.16 1.25 -1.00 0.00 0.00 179.01 180.26 1i7k h LEU 39 N 0.83 0.76 -0.40 1.33 5.85 -0.88 -1.06 115.31 121.74 1i7k h LEU 39 Ca 0.16 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i7k h LEU 39 Cb 0.46 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1i7k h LEU 39 CO 0.02 0.77 0.22 0.24 -0.34 0.00 0.00 178.44 179.34 1i7k h MET 40 N 0.71 0.43 -0.27 1.25 2.86 -0.91 -1.67 114.93 117.33 1i7k h MET 40 Ca 0.17 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1i7k h MET 40 Cb 0.28 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1i7k h MET 40 CO -0.00 0.28 -0.31 1.79 1.06 0.00 0.00 176.91 179.73 1i7k h THR 41 N 0.44 1.28 -0.34 2.22 1.35 -1.08 -1.53 112.91 115.26 1i7k h THR 41 Ca 0.16 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1i7k h THR 41 Cb 0.04 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1i7k h THR 41 CO -0.10 0.45 0.21 0.25 -0.25 0.00 0.00 175.52 176.08 1i7k h LEU 42 N 0.48 0.40 -0.61 3.87 5.85 -0.75 -0.07 115.31 124.47 1i7k h LEU 42 Ca 0.06 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1i7k h LEU 42 Cb 0.78 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1i7k h LEU 42 CO 0.06 0.32 -0.24 0.00 -0.34 0.00 0.00 178.44 178.24 1i7k h MET 43 N 0.44 0.00 0.00 1.25 -0.00 -1.19 -3.03 114.93 112.41 1i7k h MET 43 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.68 1i7k h MET 43 Cb -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.57 1i7k h MET 43 CO -0.02 0.24 -0.69 1.98 -0.00 0.00 0.00 176.91 178.42 1i7k h MET 44 N 0.00 0.00 -0.25 -0.10 1.85 -0.91 -3.27 114.93 112.25 1i7k h MET 44 Ca -0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.93 1i7k h MET 44 Cb 0.96 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 1i7k h MET 44 CO 0.03 0.69 -0.50 0.77 -0.40 0.00 0.00 176.91 177.50 1i7k h SER 45 N 0.00 0.75 -4.99 1.39 0.02 -0.89 -3.48 113.55 106.35 1i7k h SER 45 Ca -0.01 -0.38 -0.41 0.00 -0.84 0.00 0.00 61.79 60.16 1i7k h SER 45 Cb 1.39 -0.21 0.08 0.00 0.14 0.00 0.00 62.40 63.80 1i7k h SER 45 CO 0.09 1.11 -0.64 0.61 -1.14 0.00 0.00 176.83 176.87 1i7k n GLY 46 N 0.21 -0.53 3.69 -3.77 0.00 -1.20 -4.96 105.19 98.62 1i7k n GLY 46 Ca -0.03 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.93 3.29 -0.07 1.61 1.01 -1.26 -4.97 116.67 113.35 1i7k s ASP 47 Ca 0.41 2.07 -0.16 0.00 0.71 0.00 0.00 52.55 55.58 1i7k s ASP 47 Cb -0.18 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 1i7k s ASP 47 CO 0.51 -2.85 0.41 -0.54 0.21 0.00 0.00 175.17 172.91 1i7k s LYS 48 N -4.72 4.14 0.00 8.23 -0.14 -1.26 -4.29 119.74 121.70 1i7k s LYS 48 Ca 0.65 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 1i7k s LYS 48 Cb -0.21 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 1i7k s LYS 48 CO 0.58 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.99 1i7k n GLY 49 N 2.64 0.71 3.15 -3.33 0.00 -1.26 -4.95 105.19 102.14 1i7k n GLY 49 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 1i7k n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i7k s ILE 50 N -2.72 1.07 -0.03 -0.61 -4.36 -1.26 -0.98 121.20 112.31 1i7k s ILE 50 Ca 0.00 -1.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1i7k s ILE 50 Cb 0.00 -1.00 0.07 0.00 1.25 0.00 0.00 42.46 42.78 1i7k s ILE 50 CO 0.00 -0.09 0.67 -0.44 0.24 0.00 0.00 174.94 175.33 1i7k s SER 51 N -1.34 -0.65 -0.21 4.36 0.01 -0.67 -4.84 113.70 110.35 1i7k s SER 51 Ca -0.00 0.66 -0.27 0.00 1.31 0.00 0.00 55.95 57.64 1i7k s SER 51 Cb -0.09 0.54 0.10 0.00 0.21 0.00 0.00 66.02 66.79 1i7k s SER 51 CO 0.02 -0.64 0.89 0.00 0.41 0.00 0.00 173.24 173.92 1i7k s ALA 52 N -1.41 -1.89 0.00 1.44 0.00 -1.26 0.18 121.76 118.82 1i7k s ALA 52 Ca -0.10 1.75 -0.05 0.00 0.00 0.00 0.00 51.96 53.57 1i7k s ALA 52 Cb -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 1i7k s ALA 52 CO 0.08 -0.30 0.09 -0.06 0.00 0.00 0.00 175.76 175.57 1i7k s PHE 53 N -0.27 0.08 0.70 0.00 0.08 -0.77 -4.98 117.98 112.81 1i7k s PHE 53 Ca -0.01 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 56.75 1i7k s PHE 53 Cb -0.03 -0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.36 1i7k s PHE 53 CO -0.00 -0.23 1.07 -2.14 -0.10 0.00 0.00 175.22 173.82 1i7k s PRO 54 N -1.21 2.82 0.55 0.24 0.02 -1.26 -1.19 135.00 134.97 1i7k s PRO 54 Ca -0.13 1.08 -0.19 0.00 0.02 0.00 0.00 61.00 61.78 1i7k s PRO 54 Cb -0.07 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 1i7k s PRO 54 CO 0.01 -1.20 1.11 -1.21 -0.33 0.00 0.00 177.00 175.38 1i7k s GLU 55 N -4.78 3.35 0.47 5.54 2.02 -0.41 -4.86 118.70 120.03 1i7k s GLU 55 Ca 0.60 1.53 0.20 0.00 0.02 0.00 0.00 54.97 57.32 1i7k s GLU 55 Cb -0.16 -2.01 1.14 0.00 0.10 0.00 0.00 34.13 33.21 1i7k s GLU 55 CO 0.51 -0.84 2.00 0.66 0.02 0.00 0.00 175.26 177.61 1i7k h SER 56 N 1.07 0.00 -0.43 -0.19 4.64 -1.95 -2.61 113.55 114.08 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1i7k h SER 56 CO 0.57 0.19 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 1i7k n ASP 57 N -3.99 4.17 -3.15 4.97 3.85 -1.26 -4.86 116.55 116.28 1i7k n ASP 57 Ca -0.02 -2.63 0.03 0.00 -0.71 0.00 0.00 54.79 51.46 1i7k n ASP 57 Cb 0.27 -0.51 -0.00 0.00 -1.35 0.00 0.00 41.12 39.53 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 -1.30 -1.48 0.57 -1.12 3.04 -0.98 -5.01 114.94 108.66 1i7k s ASN 58 Ca 0.42 -0.08 0.38 0.00 0.04 0.00 0.00 52.86 53.62 1i7k s ASN 58 Cb 0.30 1.91 1.95 0.00 -1.54 0.00 0.00 41.25 43.87 1i7k s ASN 58 CO 0.16 -0.24 2.15 0.25 -3.04 0.00 0.00 177.10 176.38 1i7k h LEU 59 N 7.60 0.00 -0.41 3.21 5.85 -1.89 -2.76 115.31 126.91 1i7k h LEU 59 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1i7k h LEU 59 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1i7k h LEU 59 CO 0.11 0.00 -0.05 0.49 -0.34 0.00 0.00 178.44 178.65 1i7k n PHE 60 N -2.92 0.00 -4.31 1.25 3.01 -1.26 -4.71 117.46 108.53 1i7k n PHE 60 Ca -0.02 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.20 1i7k n PHE 60 Cb 0.13 -0.07 -0.17 0.00 -0.01 0.00 0.00 39.48 39.36 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 -2.20 1.46 0.26 -1.08 2.20 -1.05 -1.09 119.74 118.25 1i7k s LYS 61 Ca 0.37 -0.30 0.11 0.00 -0.36 0.00 0.00 55.97 55.79 1i7k s LYS 61 Cb 0.21 -1.33 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1i7k s LYS 61 CO 0.40 -0.08 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.55 1i7k s TRP 62 N 1.02 2.17 -0.06 4.03 0.52 0.17 -1.28 118.94 125.51 1i7k s TRP 62 Ca -0.08 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.69 1i7k s TRP 62 Cb -0.15 -0.96 0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1i7k s TRP 62 CO -0.00 0.64 -0.15 0.08 0.02 0.00 0.00 176.95 177.53 1i7k s VAL 63 N -2.56 1.35 0.29 4.03 1.01 -0.33 -1.28 120.40 122.90 1i7k s VAL 63 Ca 0.28 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1i7k s VAL 63 Cb -0.04 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1i7k s VAL 63 CO 0.13 0.40 -0.02 -0.83 0.00 0.00 0.00 175.10 174.78 1i7k s GLY 64 N 0.39 1.88 -0.03 4.51 0.00 0.30 -1.85 107.32 112.52 1i7k s GLY 64 Ca -0.11 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 42.70 1i7k s GLY 64 CO 0.04 -1.83 -0.11 -1.59 0.00 0.00 0.00 173.10 169.61 1i7k s THR 65 N -3.11 0.95 -0.03 0.90 2.01 0.13 -0.93 115.64 115.56 1i7k s THR 65 Ca 0.31 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1i7k s THR 65 Cb 0.05 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 1i7k s THR 65 CO 0.13 0.29 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.53 1i7k s ILE 66 N 0.15 1.51 -0.05 1.82 1.01 -0.20 -1.67 121.20 123.75 1i7k s ILE 66 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1i7k s ILE 66 Cb -0.09 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1i7k s ILE 66 CO 0.01 0.43 0.01 -1.00 0.00 0.00 0.00 174.94 174.39 1i7k s HIS 67 N -0.28 3.16 0.67 3.97 3.76 -0.15 -0.28 115.29 126.14 1i7k s HIS 67 Ca 0.03 0.17 -0.17 0.00 -0.15 0.00 0.00 55.06 54.95 1i7k s HIS 67 Cb -0.09 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1i7k s HIS 67 CO 0.00 0.48 1.21 0.20 -0.85 0.00 0.00 174.74 175.79 1i7k s GLY 68 N -1.17 2.52 0.30 -2.22 0.00 -0.45 -4.93 107.32 101.37 1i7k s GLY 68 Ca 0.16 0.93 -0.22 0.00 0.00 0.00 0.00 44.72 45.59 1i7k s GLY 68 CO 0.06 1.33 0.86 0.00 0.00 0.00 0.00 173.10 175.35 1i7k s ALA 69 N -1.82 3.26 0.50 3.20 0.00 -1.26 -4.47 121.76 121.17 1i7k s ALA 69 Ca 0.76 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 1i7k s ALA 69 Cb -0.30 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1i7k s ALA 69 CO 0.40 0.23 1.41 0.00 0.00 0.00 0.00 175.76 177.81 1i7k n ALA 70 N 0.39 1.89 -0.83 0.00 0.00 -1.26 -2.52 120.51 118.17 1i7k n ALA 70 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1i7k n ALA 70 Cb 0.51 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 0.64 0.72 3.60 0.00 0.00 -1.26 -4.99 105.19 103.89 1i7k n GLY 71 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 1.66 -0.61 2.61 -4.23 -1.05 -5.02 115.64 106.35 1i7k s THR 72 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1i7k s THR 72 Cb 0.00 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.22 1i7k s THR 72 CO 0.00 0.00 1.62 1.33 -0.54 0.00 0.00 174.62 177.03 1i7k n VAL 73 N -0.94 0.92 0.61 2.29 0.24 -1.26 -1.90 118.33 118.30 1i7k n VAL 73 Ca -0.06 0.28 0.10 0.00 -2.04 0.00 0.00 64.34 62.61 1i7k n VAL 73 Cb 0.67 -1.17 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 -2.02 0.51 -1.67 6.34 4.02 -1.26 -4.86 117.16 118.21 1i7k n TYR 74 Ca 0.02 -0.25 -0.44 0.00 -0.01 0.00 0.00 57.90 57.22 1i7k n TYR 74 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1i7k n TYR 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1i7k n GLU 75 N 0.91 1.98 -0.90 -0.72 2.13 -0.80 -1.35 120.64 121.89 1i7k n GLU 75 Ca 0.17 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1i7k n GLU 75 Cb 0.44 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1i7k n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1i7k n ASP 76 N 1.37 -1.85 -4.72 4.31 8.00 -1.26 -4.96 116.55 117.43 1i7k n ASP 76 Ca 0.08 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 1i7k n ASP 76 Cb 0.34 -1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 40.18 1i7k n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i7k s LEU 77 N 0.00 3.58 0.06 0.64 1.43 -0.46 -4.98 118.68 118.95 1i7k s LEU 77 Ca 0.00 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1i7k s LEU 77 Cb 0.00 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1i7k s LEU 77 CO 0.00 0.15 -0.07 0.00 0.23 0.00 0.00 176.35 176.66 1i7k s ARG 78 N -2.49 0.61 0.01 1.70 1.70 -1.26 -1.34 118.95 117.88 1i7k s ARG 78 Ca 0.27 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 1i7k s ARG 78 Cb -0.11 -0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 34.01 1i7k s ARG 78 CO 0.20 0.03 -0.05 0.71 -1.08 0.00 0.00 175.30 175.11 1i7k s TYR 79 N -2.05 0.43 0.01 5.89 2.02 0.62 -4.98 117.35 119.29 1i7k s TYR 79 Ca -0.04 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1i7k s TYR 79 Cb -0.05 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 1i7k s TYR 79 CO -0.01 -0.03 0.29 0.15 -1.57 0.00 0.00 175.55 174.37 1i7k s LYS 80 N -0.45 3.61 0.04 -0.62 1.02 -1.26 -1.04 119.74 121.04 1i7k s LYS 80 Ca -0.01 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1i7k s LYS 80 Cb -0.04 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1i7k s LYS 80 CO -0.00 0.64 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.50 1i7k s LEU 81 N -1.73 2.29 0.04 3.17 1.02 -0.11 0.04 118.68 123.40 1i7k s LEU 81 Ca 0.28 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.86 1i7k s LEU 81 Cb -0.13 -0.06 -0.04 0.00 0.02 0.00 0.00 46.19 45.98 1i7k s LEU 81 CO 0.16 -0.28 -0.04 -0.94 0.02 0.00 0.00 176.35 175.27 1i7k s SER 82 N -1.76 4.78 -0.13 2.29 1.04 0.43 -0.54 113.70 119.81 1i7k s SER 82 Ca -0.09 -0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1i7k s SER 82 Cb -0.08 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 64.96 1i7k s SER 82 CO -0.01 0.24 -0.08 -0.76 0.98 0.00 0.00 173.24 173.60 1i7k s LEU 83 N -1.81 1.35 -0.17 2.42 1.02 -0.40 -1.51 118.68 119.57 1i7k s LEU 83 Ca 0.21 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 1i7k s LEU 83 Cb -0.11 -0.91 -0.00 0.00 0.02 0.00 0.00 46.19 45.19 1i7k s LEU 83 CO 0.12 -0.12 -0.14 -1.61 0.02 0.00 0.00 176.35 174.62 1i7k s GLU 84 N 1.66 3.22 -0.07 1.70 2.02 -0.16 -0.65 118.70 126.42 1i7k s GLU 84 Ca 0.04 -0.74 -0.16 0.00 0.02 0.00 0.00 54.97 54.14 1i7k s GLU 84 Cb -0.13 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 1i7k s GLU 84 CO -0.09 -0.03 0.40 -0.06 0.02 0.00 0.00 175.26 175.51 1i7k s PHE 85 N 0.95 3.60 0.73 1.61 0.40 -0.25 -0.45 117.98 124.57 1i7k s PHE 85 Ca -0.03 0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 57.06 1i7k s PHE 85 Cb -0.15 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.03 1i7k s PHE 85 CO -0.02 0.40 1.08 -1.25 0.70 0.00 0.00 175.22 176.13 1i7k s PRO 86 N -0.19 2.63 0.51 0.24 0.04 -1.26 -4.94 135.00 132.02 1i7k s PRO 86 Ca 0.23 0.78 0.20 0.00 0.04 0.00 0.00 61.00 62.25 1i7k s PRO 86 Cb -0.15 -1.97 1.32 0.00 0.04 0.00 0.00 34.50 33.74 1i7k s PRO 86 CO 0.10 -1.27 2.11 0.66 0.04 0.00 0.00 177.00 178.64 1i7k h SER 87 N -0.84 0.00 -0.49 6.66 4.64 -1.98 -2.45 113.55 119.09 1i7k h SER 87 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1i7k h SER 87 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1i7k h SER 87 CO 0.59 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1i7k n GLY 88 N -1.19 1.94 3.73 -0.77 0.00 -1.26 -4.96 105.19 102.68 1i7k n GLY 88 Ca -0.03 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1i7k n GLY 88 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i7k n TYR 89 N 0.82 2.18 1.58 1.61 9.36 -0.92 -1.55 117.16 130.23 1i7k n TYR 89 Ca 0.19 0.43 0.10 0.00 3.32 0.00 0.00 57.90 61.94 1i7k n TYR 89 Cb 0.65 -2.34 0.44 0.00 -0.63 0.00 0.00 39.34 37.45 1i7k n TYR 89 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1i7k n PRO 90 N -1.07 1.39 -0.28 2.98 -0.04 -1.26 -4.76 135.00 131.97 1i7k n PRO 90 Ca 0.11 -0.58 -0.06 0.00 -0.04 0.00 0.00 63.50 62.92 1i7k n PRO 90 Cb 0.45 -1.33 0.06 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.17 1.17 -3.24 0.54 5.03 -1.66 -3.34 116.97 116.63 1i7k h TYR 91 Ca 0.00 -0.10 -0.65 0.00 2.58 0.00 0.00 58.73 60.56 1i7k h TYR 91 Cb 0.26 -0.35 -0.11 0.00 1.55 0.00 0.00 36.73 38.08 1i7k h TYR 91 CO 0.06 0.90 -0.62 -0.80 -1.32 0.00 0.00 178.16 176.38 1i7k s ASN 92 N -6.33 5.36 0.50 -2.11 0.01 -1.22 -4.79 114.94 106.36 1i7k s ASN 92 Ca -0.12 0.01 -0.20 0.00 -0.71 0.00 0.00 52.86 51.84 1i7k s ASN 92 Cb 0.15 -1.44 -0.08 0.00 0.41 0.00 0.00 41.25 40.30 1i7k s ASN 92 CO 0.83 0.24 1.04 0.00 -1.51 0.00 0.00 177.10 177.70 1i7k s ALA 93 N -1.22 2.85 0.69 0.60 0.00 -1.26 -4.37 121.76 119.05 1i7k s ALA 93 Ca 0.24 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1i7k s ALA 93 Cb -0.12 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1i7k s ALA 93 CO 0.15 -0.39 1.06 -1.25 0.00 0.00 0.00 175.76 175.34 1i7k s PRO 94 N -3.35 2.96 -0.23 0.00 0.04 -1.26 -4.61 135.00 128.55 1i7k s PRO 94 Ca 0.67 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 1i7k s PRO 94 Cb -0.16 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1i7k s PRO 94 CO 0.22 -1.04 0.52 0.99 0.04 0.00 0.00 177.00 177.73 1i7k s THR 95 N -3.13 5.09 -0.10 1.26 2.01 0.41 -4.89 115.64 116.29 1i7k s THR 95 Ca 0.58 0.92 0.04 0.00 0.31 0.00 0.00 61.69 63.54 1i7k s THR 95 Cb -0.13 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 1i7k s THR 95 CO 0.54 0.14 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.68 1i7k s VAL 96 N 1.92 2.03 0.01 3.82 1.01 -1.26 -0.98 120.40 126.95 1i7k s VAL 96 Ca 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1i7k s VAL 96 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1i7k s VAL 96 CO 0.09 0.55 0.03 -0.54 0.00 0.00 0.00 175.10 175.23 1i7k s LYS 97 N 0.31 0.36 0.06 2.72 1.02 -0.57 -4.43 119.74 119.22 1i7k s LYS 97 Ca -0.18 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1i7k s LYS 97 Cb -0.18 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 1i7k s LYS 97 CO 0.08 -0.07 1.01 -0.06 -0.92 0.00 0.00 175.35 175.40 1i7k s PHE 98 N -1.41 3.68 -0.14 3.18 0.08 -0.51 -0.43 117.98 122.43 1i7k s PHE 98 Ca -0.15 1.67 0.01 0.00 0.12 0.00 0.00 56.93 58.58 1i7k s PHE 98 Cb -0.09 -3.15 -0.24 0.00 -0.57 0.00 0.00 43.02 38.97 1i7k s PHE 98 CO -0.00 -0.15 0.29 1.28 -0.10 0.00 0.00 175.22 176.53 1i7k n LEU 99 N 3.37 2.14 -4.69 -0.37 4.77 0.11 -4.43 117.00 117.90 1i7k n LEU 99 Ca 0.05 0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 1i7k n LEU 99 Cb 0.49 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1i7k n LEU 99 CO 0.52 0.75 0.62 -0.89 -1.33 0.00 0.00 177.39 177.07 1i7k s THR 100 N -2.55 4.89 0.15 -5.08 2.01 -1.10 -4.97 115.64 108.98 1i7k s THR 100 Ca -0.20 1.77 -0.34 0.00 0.31 0.00 0.00 61.69 63.23 1i7k s THR 100 Cb 0.07 -4.19 -0.15 0.00 0.01 0.00 0.00 72.50 68.24 1i7k s THR 100 CO 0.75 0.09 1.46 -2.65 -0.69 0.00 0.00 174.62 173.58 1i7k n PRO 101 N 4.65 1.76 -4.23 4.92 -0.02 -1.26 -4.78 135.00 136.04 1i7k n PRO 101 Ca 0.05 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.87 1i7k n PRO 101 Cb 0.50 -2.34 -0.17 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.25 3.17 -0.10 0.00 5.04 -1.26 -4.84 117.35 120.61 1i7k s TYR 103 Ca -0.01 -0.18 -0.30 0.00 -2.44 0.00 0.00 57.07 54.14 1i7k s TYR 103 Cb -0.14 -2.88 0.08 0.00 0.35 0.00 0.00 41.96 39.37 1i7k s TYR 103 CO -0.06 -0.63 0.77 -1.58 -1.34 0.00 0.00 175.55 172.71 1i7k s HIS 104 N 2.21 -0.60 0.46 4.97 2.46 -1.26 -5.05 115.29 118.47 1i7k s HIS 104 Ca 0.14 1.09 0.18 0.00 0.47 0.00 0.00 55.06 56.94 1i7k s HIS 104 Cb -0.16 0.40 1.13 0.00 -0.13 0.00 0.00 32.58 33.82 1i7k s HIS 104 CO 0.14 -0.52 1.96 -1.35 -2.47 0.00 0.00 174.74 172.50 1i7k h PRO 105 N 3.13 0.30 -0.48 2.88 0.11 -1.84 -2.74 132.00 133.35 1i7k h PRO 105 Ca -0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1i7k h PRO 105 Cb 1.15 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1i7k h PRO 105 CO 0.33 0.20 0.03 0.09 -0.21 0.00 0.00 178.00 178.44 1i7k n ASN 106 N -4.45 4.93 -4.14 -2.05 4.13 -1.26 0.00 115.26 112.42 1i7k n ASN 106 Ca 0.12 -3.03 -0.26 0.00 1.68 0.00 0.00 54.58 53.10 1i7k n ASN 106 Cb 0.50 -0.65 -0.16 0.00 -1.54 0.00 0.00 39.78 37.94 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 -2.84 1.41 0.12 2.41 1.01 -1.03 -0.96 120.40 120.51 1i7k s VAL 107 Ca 0.50 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1i7k s VAL 107 Cb 0.40 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1i7k s VAL 107 CO 0.13 0.41 0.15 -0.90 0.00 0.00 0.00 175.10 174.89 1i7k n ASP 108 N 3.06 0.64 0.31 3.32 5.68 -0.45 -4.40 116.55 124.70 1i7k n ASP 108 Ca -0.17 -1.34 0.20 0.00 -0.50 0.00 0.00 54.79 52.97 1i7k n ASP 108 Cb 0.53 -0.07 0.99 0.00 -1.14 0.00 0.00 41.12 41.43 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 0.13 0.11 -0.02 2.12 1.35 -1.92 -0.81 112.91 113.87 1i7k h THR 109 Ca -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1i7k h THR 109 Cb 0.26 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1i7k h THR 109 CO 0.09 0.02 -0.08 0.00 -0.25 0.00 0.00 175.52 175.30 1i7k n GLN 110 N -3.20 1.59 -0.73 4.72 1.13 -1.26 -4.92 117.38 114.71 1i7k n GLN 110 Ca -0.02 -1.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.00 1i7k n GLN 110 Cb 0.16 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 1.25 0.65 3.79 1.08 0.00 -0.31 -4.68 105.19 106.97 1i7k n GLY 111 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.06 6.28 -0.09 1.61 0.01 -1.26 -1.42 114.94 118.01 1i7k s ASN 112 Ca 0.00 2.02 0.03 0.00 -0.71 0.00 0.00 52.86 54.20 1i7k s ASN 112 Cb 0.00 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1i7k s ASN 112 CO 0.00 -0.83 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.94 1i7k s ILE 113 N -1.85 2.54 -0.59 0.60 1.01 -1.26 -1.34 121.20 120.30 1i7k s ILE 113 Ca 0.66 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 1i7k s ILE 113 Cb -0.20 -2.00 0.09 0.00 0.01 0.00 0.00 42.46 40.36 1i7k s ILE 113 CO 0.23 0.56 0.77 -0.55 0.00 0.00 0.00 174.94 175.95 1i7k s SER 114 N 0.03 6.19 -0.11 3.58 0.15 -0.14 -4.98 113.70 118.44 1i7k s SER 114 Ca -0.07 -1.19 -0.04 0.00 0.70 0.00 0.00 55.95 55.35 1i7k s SER 114 Cb -0.15 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1i7k s SER 114 CO 0.05 -1.17 0.21 -0.22 1.20 0.00 0.00 173.24 173.31 1i7k s LEU 115 N 3.08 -0.18 0.25 3.45 2.96 -1.26 -4.94 118.68 122.04 1i7k s LEU 115 Ca 0.16 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 1i7k s LEU 115 Cb -0.21 0.48 0.48 0.00 0.50 0.00 0.00 46.19 47.44 1i7k s LEU 115 CO 0.09 -0.24 1.71 -2.24 -1.32 0.00 0.00 176.35 174.35 1i7k h ASP 116 N 8.32 0.20 0.45 3.68 -0.00 -1.98 -0.99 116.42 126.10 1i7k h ASP 116 Ca -0.14 0.12 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1i7k h ASP 116 Cb 1.12 0.12 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 1i7k h ASP 116 CO 0.14 0.05 0.00 2.30 -0.00 0.00 0.00 179.24 181.73 1i7k n ILE 117 N -5.05 1.12 1.22 4.15 -5.35 -1.26 -0.65 119.36 113.54 1i7k n ILE 117 Ca 0.15 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 63.05 1i7k n ILE 117 Cb 0.45 -1.13 0.31 0.00 -1.74 0.00 0.00 39.64 37.53 1i7k n ILE 117 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1i7k n LEU 118 N -1.64 1.39 0.00 7.28 4.77 -0.38 -3.17 117.00 125.25 1i7k n LEU 118 Ca 0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1i7k n LEU 118 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1i7k n LEU 118 CO 0.12 0.25 0.00 1.17 -1.33 0.00 0.00 177.39 177.61 1i7k n LYS 119 N -0.31 0.00 0.23 3.23 4.81 0.18 -4.83 118.16 121.47 1i7k n LYS 119 Ca 0.13 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1i7k n LYS 119 Cb 0.39 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.12 1i7k n LYS 119 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1i7k h GLU 120 N 0.00 0.00 -0.65 1.64 9.09 -1.88 -2.34 114.58 120.45 1i7k h GLU 120 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i7k h GLU 120 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i7k h GLU 120 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1i7k n LYS 121 N -4.41 3.96 -2.16 1.06 5.02 -0.80 -4.98 118.16 115.85 1i7k n LYS 121 Ca -0.01 -2.56 -0.40 0.00 -2.02 0.00 0.00 58.31 53.31 1i7k n LYS 121 Cb 0.16 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1i7k n LYS 121 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1i7k s TRP 122 N -2.26 3.07 -0.02 2.13 -0.11 -0.88 -4.60 118.94 116.27 1i7k s TRP 122 Ca 0.45 1.45 0.03 0.00 1.22 0.00 0.00 56.10 59.26 1i7k s TRP 122 Cb 0.33 -3.62 -0.01 0.00 -1.50 0.00 0.00 33.47 28.67 1i7k s TRP 122 CO 0.16 -1.72 -0.11 0.45 -4.62 0.00 0.00 176.95 171.11 1i7k s SER 123 N -0.62 1.36 0.00 5.86 0.15 -1.26 -5.01 113.70 114.18 1i7k s SER 123 Ca 0.50 -0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.01 1i7k s SER 123 Cb -0.38 -0.22 0.37 0.00 -1.71 0.00 0.00 66.02 64.08 1i7k s SER 123 CO 0.50 0.12 1.01 0.00 1.20 0.00 0.00 173.24 176.07 1i7k n ALA 124 N 2.95 1.59 0.81 5.45 0.00 -1.26 -1.15 120.51 128.90 1i7k n ALA 124 Ca -0.15 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1i7k n ALA 124 Cb 0.55 -1.11 0.31 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.19 0.51 -4.87 0.00 4.77 -1.26 -4.88 117.00 110.08 1i7k n LEU 125 Ca 0.04 0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.95 1i7k n LEU 125 Cb 0.04 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1i7k n LEU 125 CO 0.05 0.00 0.63 -0.31 -1.33 0.00 0.00 177.39 176.43 1i7k s TYR 126 N -3.07 3.53 0.26 -1.77 2.02 -0.30 -5.09 117.35 112.94 1i7k s TYR 126 Ca 0.10 1.25 0.04 0.00 -0.37 0.00 0.00 57.07 58.09 1i7k s TYR 126 Cb 0.16 -2.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 1i7k s TYR 126 CO 0.66 -0.43 0.16 -0.40 -1.57 0.00 0.00 175.55 173.97 1i7k n ASP 127 N -2.05 0.27 -0.34 2.29 5.75 -1.26 -5.01 116.55 116.20 1i7k n ASP 127 Ca 0.05 -2.57 0.02 0.00 -0.01 0.00 0.00 54.79 52.28 1i7k n ASP 127 Cb 0.54 0.99 0.16 0.00 -1.03 0.00 0.00 41.12 41.78 1i7k n ASP 127 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1i7k h VAL 128 N 1.64 1.06 -0.59 2.12 2.07 -1.99 -1.70 116.25 118.86 1i7k h VAL 128 Ca -0.20 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1i7k h VAL 128 Cb 0.87 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1i7k h VAL 128 CO 0.30 0.20 0.33 -0.09 0.02 0.00 0.00 177.57 178.32 1i7k h ARG 129 N 1.08 0.60 -0.61 1.57 2.43 -1.96 0.03 114.38 117.52 1i7k h ARG 129 Ca 0.41 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1i7k h ARG 129 Cb 0.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1i7k h ARG 129 CO -0.18 0.40 0.18 1.15 -1.51 0.00 0.00 179.97 180.01 1i7k h THR 130 N 0.62 1.25 -0.24 0.20 2.02 -1.76 -1.61 112.91 113.39 1i7k h THR 130 Ca 0.26 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1i7k h THR 130 Cb 0.13 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1i7k h THR 130 CO -0.16 0.32 0.13 0.40 0.37 0.00 0.00 175.52 176.58 1i7k h ILE 131 N 0.87 1.12 -0.56 3.11 2.04 -0.66 -1.24 117.51 122.19 1i7k h ILE 131 Ca 0.20 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1i7k h ILE 131 Cb 0.30 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1i7k h ILE 131 CO -0.00 0.11 0.09 -0.07 0.00 0.00 0.00 178.15 178.28 1i7k h LEU 132 N 0.27 0.89 -0.74 1.44 3.38 -0.83 -0.96 115.31 118.76 1i7k h LEU 132 Ca 0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1i7k h LEU 132 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1i7k h LEU 132 CO -0.01 0.93 0.25 -0.07 0.09 0.00 0.00 178.44 179.62 1i7k h LEU 133 N 0.82 1.07 -0.80 1.67 3.38 -1.26 0.43 115.31 120.62 1i7k h LEU 133 Ca 0.17 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1i7k h LEU 133 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i7k h LEU 133 CO 0.01 0.99 -0.14 0.28 0.09 0.00 0.00 178.44 179.67 1i7k h SER 134 N 1.10 0.75 -0.21 -0.43 0.02 -0.94 0.84 113.55 114.67 1i7k h SER 134 Ca 0.24 -0.23 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1i7k h SER 134 Cb 0.29 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1i7k h SER 134 CO -0.01 0.90 -0.54 0.40 -1.14 0.00 0.00 176.83 176.44 1i7k h ILE 135 N 0.68 1.29 -0.86 3.27 2.04 -0.92 -0.90 117.51 122.11 1i7k h ILE 135 Ca 0.11 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1i7k h ILE 135 Cb 0.62 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1i7k h ILE 135 CO 0.04 0.56 0.50 -0.61 0.00 0.00 0.00 178.15 178.65 1i7k h GLN 136 N 0.61 1.18 -0.42 2.37 4.15 -0.53 -1.77 115.11 120.71 1i7k h GLN 136 Ca 0.01 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 1i7k h GLN 136 Cb 1.14 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1i7k h GLN 136 CO 0.12 0.84 -0.09 0.77 -1.93 0.00 0.00 178.83 178.53 1i7k h SER 137 N 1.18 0.71 0.12 -0.69 0.02 -0.71 -2.83 113.55 111.36 1i7k h SER 137 Ca 0.31 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1i7k h SER 137 Cb -0.02 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1i7k h SER 137 CO -0.05 0.84 -0.10 0.25 -1.14 0.00 0.00 176.83 176.62 1i7k h LEU 138 N 0.67 0.00 -0.18 5.07 5.85 -0.30 -1.85 115.31 124.57 1i7k h LEU 138 Ca 0.12 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1i7k h LEU 138 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1i7k h LEU 138 CO 0.03 0.10 0.10 -0.07 -0.34 0.00 0.00 178.44 178.26 1i7k h LEU 139 N 0.00 0.16 0.00 2.25 3.38 -1.17 -2.83 115.31 117.11 1i7k h LEU 139 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i7k h LEU 139 Cb 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i7k h LEU 139 CO 0.01 0.12 -0.30 0.61 0.09 0.00 0.00 178.44 178.97 1i7k n GLY 140 N -1.15 -1.38 2.31 0.83 0.00 -1.08 -4.43 105.19 100.30 1i7k n GLY 140 Ca -0.03 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1i7k n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7k n GLU 141 N -1.60 1.47 -1.27 1.61 1.02 -0.72 -5.04 120.64 116.11 1i7k n GLU 141 Ca 0.06 -3.85 -0.30 0.00 -0.02 0.00 0.00 57.16 53.05 1i7k n GLU 141 Cb 0.35 -1.68 0.12 0.00 -0.02 0.00 0.00 31.44 30.21 1i7k n GLU 141 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1i7k s PRO 142 N -1.68 1.63 -0.69 3.49 0.04 -1.13 -4.64 135.00 132.03 1i7k s PRO 142 Ca 0.37 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.15 1i7k s PRO 142 Cb 0.15 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 33.02 1i7k s PRO 142 CO -0.07 -2.00 0.61 1.21 0.04 0.00 0.00 177.00 176.79 1i7k s ASN 143 N -3.49 6.34 0.20 6.66 3.84 -1.26 -4.90 114.94 122.33 1i7k s ASN 143 Ca 0.62 -2.37 0.22 0.00 0.21 0.00 0.00 52.86 51.55 1i7k s ASN 143 Cb -0.17 -2.15 0.91 0.00 -0.55 0.00 0.00 41.25 39.28 1i7k s ASN 143 CO 0.56 -0.65 1.68 -0.38 -2.79 0.00 0.00 177.10 175.53 1i7k n ILE 144 N 4.39 0.81 0.24 -5.21 2.08 -1.26 -2.75 119.36 117.65 1i7k n ILE 144 Ca 0.03 0.17 0.12 0.00 0.56 0.00 0.00 62.75 63.62 1i7k n ILE 144 Cb 0.43 -1.05 0.08 0.00 -0.75 0.00 0.00 39.64 38.35 1i7k n ILE 144 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1i7k h ASP 145 N 0.00 0.00 -2.28 4.38 3.45 -1.99 -3.37 116.42 116.61 1i7k h ASP 145 Ca 0.00 -0.05 -0.59 0.00 0.43 0.00 0.00 57.03 56.83 1i7k h ASP 145 Cb 0.39 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.74 1i7k h ASP 145 CO 0.00 0.02 -0.65 -0.24 -1.57 0.00 0.00 179.24 176.80 1i7k n SER 146 N -2.62 4.35 -4.83 6.45 2.88 -1.11 -5.10 113.62 113.64 1i7k n SER 146 Ca 0.02 -3.66 -0.34 0.00 -1.33 0.00 0.00 58.87 53.56 1i7k n SER 146 Cb 0.52 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 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 -3.40 4.17 -0.07 -1.46 0.04 -1.25 -4.82 135.00 128.21 1i7k s PRO 147 Ca 0.48 0.87 0.20 0.00 0.04 0.00 0.00 61.00 62.59 1i7k s PRO 147 Cb 0.28 -2.56 -0.31 0.00 0.04 0.00 0.00 34.50 31.94 1i7k s PRO 147 CO -0.13 0.21 0.36 1.28 0.04 0.00 0.00 177.00 178.76 1i7k n LEU 148 N 0.01 0.00 -3.79 -3.56 4.77 0.10 -4.76 117.00 109.77 1i7k n LEU 148 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1i7k n LEU 148 Cb 0.52 0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1i7k n LEU 148 CO 0.41 0.13 -0.28 0.21 -1.33 0.00 0.00 177.39 176.53 1i7k s ASN 149 N -4.71 4.02 0.37 -1.43 3.84 -0.45 -4.83 114.94 111.76 1i7k s ASN 149 Ca -0.08 -2.28 0.09 0.00 0.21 0.00 0.00 52.86 50.80 1i7k s ASN 149 Cb 0.12 -1.14 0.72 0.00 -0.55 0.00 0.00 41.25 40.40 1i7k s ASN 149 CO 0.86 -0.33 1.87 0.71 -2.79 0.00 0.00 177.10 177.43 1i7k h THR 150 N 5.89 1.21 -0.34 -5.21 1.35 -1.85 -1.68 112.91 112.27 1i7k h THR 150 Ca -0.06 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1i7k h THR 150 Cb 0.97 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 1i7k h THR 150 CO 0.51 0.29 0.21 -0.74 -0.25 0.00 0.00 175.52 175.54 1i7k h HIS 151 N 0.20 0.45 -0.49 4.73 -0.00 -1.97 -1.83 115.15 116.23 1i7k h HIS 151 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.28 1i7k h HIS 151 Cb 0.48 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1i7k h HIS 151 CO 0.01 0.32 -0.20 0.00 -0.00 0.00 0.00 177.93 178.05 1i7k h ALA 152 N 1.09 0.69 -0.40 5.26 0.00 -1.83 -2.55 119.26 121.53 1i7k h ALA 152 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1i7k h ALA 152 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1i7k h ALA 152 CO -0.02 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.13 1i7k h ALA 153 N 0.87 1.67 0.08 0.00 0.00 -1.03 -0.71 119.26 120.14 1i7k h ALA 153 Ca 0.11 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1i7k h ALA 153 Cb 0.78 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1i7k h ALA 153 CO 0.06 0.29 -1.14 0.93 0.00 0.00 0.00 179.25 179.40 1i7k h GLU 154 N 0.55 0.47 0.00 0.00 5.08 -1.22 -3.25 114.58 116.22 1i7k h GLU 154 Ca 0.15 -0.62 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1i7k h GLU 154 Cb -0.02 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1i7k h GLU 154 CO -0.03 1.25 -0.47 1.25 -1.00 0.00 0.00 179.01 180.01 1i7k h LEU 155 N 0.22 0.00 -1.68 1.33 6.46 -1.25 -3.24 115.31 117.15 1i7k h LEU 155 Ca -0.14 0.00 0.34 0.00 -0.12 0.00 0.00 57.88 57.97 1i7k h LEU 155 Cb 1.81 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.66 1i7k h LEU 155 CO 0.20 0.47 0.82 -0.25 -0.62 0.00 0.00 178.44 179.07 1i7k h TRP 156 N 0.00 0.31 -0.32 1.25 2.91 -1.16 -0.35 115.95 118.59 1i7k h TRP 156 Ca -0.00 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.11 1i7k h TRP 156 Cb 0.92 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 1i7k h TRP 156 CO 0.00 -0.01 0.23 -0.22 -1.03 0.00 0.00 178.44 177.41 1i7k h LYS 157 N 0.15 0.04 -3.53 2.65 3.11 -1.75 -3.31 116.57 113.92 1i7k h LYS 157 Ca 0.64 -0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 57.82 1i7k h LYS 157 Cb 2.14 -0.01 -0.39 0.00 -1.00 0.00 0.00 32.23 32.97 1i7k h LYS 157 CO -0.17 0.02 -0.56 1.21 -2.81 0.00 0.00 179.45 177.14 1i7k s ASN 158 N -6.57 4.60 0.33 4.20 3.04 -0.14 -4.97 114.94 115.43 1i7k s ASN 158 Ca -0.05 -2.91 0.07 0.00 0.04 0.00 0.00 52.86 50.01 1i7k s ASN 158 Cb 0.19 -1.70 0.76 0.00 -1.54 0.00 0.00 41.25 38.96 1i7k s ASN 158 CO 0.71 -0.28 1.83 -0.65 -3.04 0.00 0.00 177.10 175.67 1i7k h PRO 159 N 6.73 0.74 -0.32 0.43 0.11 -1.76 -0.18 132.00 137.74 1i7k h PRO 159 Ca -0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1i7k h PRO 159 Cb 0.92 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1i7k h PRO 159 CO 0.69 0.49 0.18 1.15 -0.21 0.00 0.00 178.00 180.30 1i7k h THR 160 N 0.76 1.12 -0.27 -1.15 2.02 -1.93 0.26 112.91 113.73 1i7k h THR 160 Ca 0.50 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 67.22 1i7k h THR 160 Cb 0.77 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1i7k h THR 160 CO -0.27 0.12 -0.47 0.00 0.37 0.00 0.00 175.52 175.27 1i7k h ALA 161 N 1.06 0.66 -0.12 6.16 0.00 -1.76 -2.57 119.26 122.69 1i7k h ALA 161 Ca 0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1i7k h ALA 161 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1i7k h ALA 161 CO -0.02 0.67 0.03 0.35 0.00 0.00 0.00 179.25 180.29 1i7k h PHE 162 N 0.57 0.20 -0.66 0.00 3.57 -0.76 -2.17 116.94 117.69 1i7k h PHE 162 Ca 0.03 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1i7k h PHE 162 Cb 1.03 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1i7k h PHE 162 CO 0.05 0.34 0.33 -0.22 -2.23 0.00 0.00 178.31 176.58 1i7k h LYS 163 N 0.01 0.93 -0.40 1.11 3.64 -0.48 -0.85 116.57 120.54 1i7k h LYS 163 Ca 0.04 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1i7k h LYS 163 Cb 0.24 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1i7k h LYS 163 CO -0.00 0.72 0.10 -0.22 -2.27 0.00 0.00 179.45 177.78 1i7k h LYS 164 N 0.93 0.64 -0.55 1.90 3.64 -1.38 -1.65 116.57 120.11 1i7k h LYS 164 Ca 0.23 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1i7k h LYS 164 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1i7k h LYS 164 CO -0.03 0.66 0.23 -0.92 -2.27 0.00 0.00 179.45 177.12 1i7k h TYR 165 N 0.50 0.82 -0.05 1.91 5.03 -1.03 -2.39 116.97 121.77 1i7k h TYR 165 Ca 0.13 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1i7k h TYR 165 Cb 0.30 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1i7k h TYR 165 CO 0.02 0.67 0.03 1.25 -1.32 0.00 0.00 178.16 178.80 1i7k h LEU 166 N 0.74 0.06 -0.61 2.82 5.85 -1.03 -1.68 115.31 121.46 1i7k h LEU 166 Ca 0.18 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1i7k h LEU 166 Cb 0.18 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1i7k h LEU 166 CO -0.02 0.06 0.23 1.56 -0.34 0.00 0.00 178.44 179.94 1i7k h GLN 167 N 0.05 0.92 -0.44 1.25 4.20 -1.26 0.05 115.11 119.88 1i7k h GLN 167 Ca 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1i7k h GLN 167 Cb 0.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1i7k h GLN 167 CO -0.00 0.79 0.22 1.49 -0.67 0.00 0.00 178.83 180.66 1i7k h GLU 168 N 0.86 0.63 0.04 1.46 4.81 -1.34 -0.68 114.58 120.36 1i7k h GLU 168 Ca 0.20 -0.09 -0.23 0.00 -0.13 0.00 0.00 59.36 59.12 1i7k h GLU 168 Cb 0.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1i7k h GLU 168 CO -0.01 0.53 -1.02 1.79 -0.73 0.00 0.00 179.01 179.57 1i7k h THR 169 N 0.57 1.54 0.07 0.32 1.35 -1.22 -2.35 112.91 113.20 1i7k h THR 169 Ca 0.15 -2.93 -0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1i7k h THR 169 Cb 0.10 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1i7k h THR 169 CO -0.02 0.85 -0.03 0.22 -0.25 0.00 0.00 175.52 176.29 1i7k h TYR 170 N 0.08 -0.09 -0.33 4.73 3.20 -0.92 0.33 116.97 123.98 1i7k h TYR 170 Ca -0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 1i7k h TYR 170 Cb 1.71 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 1i7k h TYR 170 CO 0.03 0.21 0.02 0.66 -1.64 0.00 0.00 178.16 177.45 1i7k h SER 171 N -0.38 0.46 -0.71 -2.11 4.64 -1.21 -0.96 113.55 113.28 1i7k h SER 171 Ca -0.01 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1i7k h SER 171 Cb 0.33 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1i7k h SER 171 CO 0.02 0.52 0.32 0.50 -0.87 0.00 0.00 176.83 177.31 1i7k h LYS 172 N 0.48 1.05 0.00 4.77 3.64 -1.22 -3.27 116.57 122.02 1i7k h LYS 172 Ca 0.11 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1i7k h LYS 172 Cb 0.28 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1i7k h LYS 172 CO 0.01 0.84 0.04 0.94 -2.27 0.00 0.00 179.45 179.01 1i7k n GLN 173 N -4.39 -0.47 -0.02 1.90 -0.06 0.09 -3.65 117.38 110.78 1i7k n GLN 173 Ca 0.06 -0.24 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1i7k n GLN 173 Cb 0.15 -0.18 0.00 0.00 -4.06 0.00 0.00 30.24 26.16 1i7k n GLN 173 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1i7k n VAL 174 N -2.38 0.00 -0.65 1.69 3.14 -1.24 -4.88 118.33 114.01 1i7k n VAL 174 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1i7k n VAL 174 Cb 0.07 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 1i7k n VAL 174 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72