#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 h GLN 2 N 0.00 0.38 -4.68 0.03 4.20 -2.02 -3.44 115.11 109.58 2kb0 h GLN 2 Ca 0.00 -0.07 -0.23 0.00 0.06 0.00 0.00 58.65 58.41 2kb0 h GLN 2 Cb 0.00 -0.06 -0.15 0.00 0.30 0.00 0.00 27.48 27.57 2kb0 h GLN 2 CO 0.00 0.40 -0.70 -0.08 -0.67 0.00 0.00 178.83 177.79 2kb0 s THR 3 N -4.99 0.71 -0.18 -0.54 -1.32 -1.26 -4.60 115.64 103.47 2kb0 s THR 3 Ca -0.07 -1.94 0.01 0.00 -1.21 0.00 0.00 61.69 58.48 2kb0 s THR 3 Cb 0.16 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.46 2kb0 s THR 3 CO 0.74 -0.85 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.49 2kb0 s ILE 4 N -3.62 1.92 -0.16 5.08 1.01 -1.23 -5.06 121.20 119.14 2kb0 s ILE 4 Ca 0.13 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 2kb0 s ILE 4 Cb 0.05 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 2kb0 s ILE 4 CO -0.04 0.49 0.31 -0.54 0.00 0.00 0.00 174.94 175.16 2kb0 s LYS 5 N 1.34 4.25 -0.01 2.79 1.02 -1.26 -3.35 119.74 124.53 2kb0 s LYS 5 Ca 0.04 0.12 0.01 0.00 0.02 0.00 0.00 55.97 56.16 2kb0 s LYS 5 Cb -0.13 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 2kb0 s LYS 5 CO -0.12 0.20 -0.01 0.00 -0.92 0.00 0.00 175.35 174.50 2kb0 s VAL 7 N 0.30 3.43 -0.12 0.00 1.01 -1.21 -3.29 120.40 120.52 2kb0 s VAL 7 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2kb0 s VAL 7 Cb -0.05 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2kb0 s VAL 7 CO -0.01 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 2kb0 s VAL 8 N -0.83 2.96 -0.15 2.92 1.01 -0.83 -2.76 120.40 122.72 2kb0 s VAL 8 Ca 0.13 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2kb0 s VAL 8 Cb -0.11 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2kb0 s VAL 8 CO 0.03 0.54 0.59 0.54 0.00 0.00 0.00 175.10 176.79 2kb0 s VAL 9 N 0.22 0.01 0.18 2.92 0.11 -1.22 -4.53 120.40 118.09 2kb0 s VAL 9 Ca -0.09 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2kb0 s VAL 9 Cb -0.15 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2kb0 s VAL 9 CO 0.05 -0.03 0.15 -0.83 -3.33 0.00 0.00 175.10 171.11 2kb0 s GLY 10 N -0.30 1.14 -0.51 6.54 0.00 -1.26 -2.43 107.32 110.50 2kb0 s GLY 10 Ca -0.05 -1.49 -0.27 0.00 0.00 0.00 0.00 44.72 42.92 2kb0 s GLY 10 CO 0.04 -1.27 1.04 -0.35 0.00 0.00 0.00 173.10 172.55 2kb0 s ASP 11 N -3.10 6.48 0.00 1.64 2.15 -1.13 -4.74 116.67 117.97 2kb0 s ASP 11 Ca 0.31 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.37 2kb0 s ASP 11 Cb 0.06 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2kb0 s ASP 11 CO 0.08 -1.24 0.00 0.61 -0.17 0.00 0.00 175.17 174.45 2kb0 n GLY 12 N 4.99 0.25 2.62 2.66 0.00 -1.26 -4.82 105.19 109.63 2kb0 n GLY 12 Ca 0.07 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.58 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 n ALA 13 N 4.34 -2.52 -0.03 4.61 0.00 -1.26 -4.64 120.51 121.00 2kb0 n ALA 13 Ca 0.00 1.32 -0.04 0.00 0.00 0.00 0.00 53.44 54.72 2kb0 n ALA 13 Cb 0.00 -2.84 0.18 0.00 0.00 0.00 0.00 19.45 16.79 2kb0 n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kb0 h VAL 14 N 4.38 1.25 -0.34 0.00 -1.51 -2.02 -2.41 116.25 115.61 2kb0 h VAL 14 Ca -0.29 -1.18 -0.04 0.00 -1.23 0.00 0.00 66.70 63.96 2kb0 h VAL 14 Cb 0.65 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 2kb0 h VAL 14 CO 0.00 0.39 0.05 0.61 -1.23 0.00 0.00 177.57 177.40 2kb0 n GLY 15 N -0.45 2.45 0.34 5.19 0.00 -1.26 -4.31 105.19 107.15 2kb0 n GLY 15 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 2kb0 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kb0 h LYS 16 N 1.88 1.17 -0.21 1.61 3.64 -1.69 -1.44 116.57 121.53 2kb0 h LYS 16 Ca 0.05 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 2kb0 h LYS 16 Cb 1.40 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2kb0 h LYS 16 CO 0.31 0.89 -0.10 1.15 -2.27 0.00 0.00 179.45 179.43 2kb0 h THR 17 N 1.16 1.31 0.00 1.00 2.02 -1.83 -2.86 112.91 113.70 2kb0 h THR 17 Ca 0.29 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 2kb0 h THR 17 Cb 0.09 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2kb0 h THR 17 CO -0.04 0.36 -0.05 0.00 0.37 0.00 0.00 175.52 176.16 2kb0 h LEU 19 N 0.00 0.83 -0.06 0.00 5.85 -1.05 0.26 115.31 121.14 2kb0 h LEU 19 Ca -0.00 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 2kb0 h LEU 19 Cb 0.09 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2kb0 h LEU 19 CO 0.01 0.98 -0.31 0.25 -0.34 0.00 0.00 178.44 179.03 2kb0 h LEU 20 N 0.66 0.37 -0.70 2.25 5.85 -1.19 -3.15 115.31 119.40 2kb0 h LEU 20 Ca 0.12 -0.65 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 2kb0 h LEU 20 Cb 0.60 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2kb0 h LEU 20 CO 0.04 0.97 0.18 0.40 -0.34 0.00 0.00 178.44 179.68 2kb0 h ILE 21 N -0.19 1.26 -0.37 4.05 1.08 -1.18 -2.42 117.51 119.74 2kb0 h ILE 21 Ca -0.02 -0.96 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 2kb0 h ILE 21 Cb 0.96 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2kb0 h ILE 21 CO 0.06 0.37 0.25 0.77 -0.69 0.00 0.00 178.15 178.91 2kb0 h SER 22 N 1.05 0.21 -0.04 1.72 4.64 -0.99 -0.83 113.55 119.32 2kb0 h SER 22 Ca 0.22 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.34 2kb0 h SER 22 Cb 0.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2kb0 h SER 22 CO 0.00 0.14 -0.69 0.22 -0.87 0.00 0.00 176.83 175.63 2kb0 h TYR 23 N 0.24 0.88 -0.06 4.77 3.20 -1.40 0.64 116.97 125.25 2kb0 h TYR 23 Ca 0.16 -0.36 -0.07 0.00 3.14 0.00 0.00 58.73 61.60 2kb0 h TYR 23 Cb 0.34 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2kb0 h TYR 23 CO -0.00 1.16 -0.27 1.79 -1.64 0.00 0.00 178.16 179.20 2kb0 h THR 24 N 0.48 1.22 0.00 1.81 1.35 -0.90 -3.41 112.91 113.46 2kb0 h THR 24 Ca -0.03 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2kb0 h THR 24 Cb 1.28 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2kb0 h THR 24 CO 0.14 0.30 0.00 0.41 -0.25 0.00 0.00 175.52 176.12 2kb0 n THR 25 N -4.18 0.00 -0.22 6.82 -1.04 -0.92 -5.12 114.28 109.61 2kb0 n THR 25 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kb0 n THR 25 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2kb0 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2kb0 n ASN 26 N 0.00 -0.78 -2.65 8.00 5.15 0.22 -5.00 115.26 120.20 2kb0 n ASN 26 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 2kb0 n ASN 26 Cb 0.15 -0.39 0.09 0.00 -0.53 0.00 0.00 39.78 39.10 2kb0 n ASN 26 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2kb0 n LYS 27 N 1.83 0.02 -0.25 1.20 4.81 -1.26 -4.78 118.16 119.74 2kb0 n LYS 27 Ca 0.00 -0.53 -0.06 0.00 -0.87 0.00 0.00 58.31 56.85 2kb0 n LYS 27 Cb 0.00 -0.02 0.05 0.00 0.02 0.00 0.00 35.03 35.08 2kb0 n LYS 27 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2kb0 h PHE 28 N 1.85 0.93 -0.44 5.64 0.04 -1.91 -2.57 116.94 120.48 2kb0 h PHE 28 Ca -0.40 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.41 2kb0 h PHE 28 Cb 1.24 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 2kb0 h PHE 28 CO -0.24 0.65 0.30 -1.35 -0.60 0.00 0.00 178.31 177.07 2kb0 h PRO 29 N 0.94 0.37 -5.76 1.51 0.11 -1.95 -3.45 132.00 123.76 2kb0 h PRO 29 Ca 0.24 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.96 2kb0 h PRO 29 Cb 0.01 -0.08 -0.23 0.00 0.11 0.00 0.00 31.00 30.81 2kb0 h PRO 29 CO -0.04 0.25 -0.54 -1.13 -0.21 0.00 0.00 178.00 176.33 2kb0 n SER 30 N -4.48 -1.27 -0.39 -2.05 3.41 -0.97 -4.65 113.62 103.22 2kb0 n SER 30 Ca 0.06 -0.64 0.35 0.00 -0.26 0.00 0.00 58.87 58.37 2kb0 n SER 30 Cb 0.23 -1.14 0.60 0.00 -0.26 0.00 0.00 64.21 63.64 2kb0 n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kb0 n GLU 31 N -2.96 -0.04 -4.20 4.33 -0.58 -1.26 -3.89 120.64 112.04 2kb0 n GLU 31 Ca 0.07 1.18 -0.26 0.00 -0.42 0.00 0.00 57.16 57.73 2kb0 n GLU 31 Cb 0.36 -2.27 -0.17 0.00 -0.57 0.00 0.00 31.44 28.79 2kb0 n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2kb0 s TYR 32 N -5.19 1.53 0.14 -0.32 5.04 -1.26 -5.13 117.35 112.15 2kb0 s TYR 32 Ca -0.07 -0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 53.78 2kb0 s TYR 32 Cb 0.29 -1.19 -0.06 0.00 0.35 0.00 0.00 41.96 41.35 2kb0 s TYR 32 CO 0.74 -0.43 0.43 0.14 -1.34 0.00 0.00 175.55 175.10 2kb0 s VAL 33 N 1.25 5.07 0.59 3.14 -7.23 -1.25 -5.07 120.40 116.90 2kb0 s VAL 33 Ca -0.03 0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.31 2kb0 s VAL 33 Cb -0.14 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2kb0 s VAL 33 CO -0.03 0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 173.81 2kb0 s PRO 34 N -2.36 3.18 0.00 4.82 0.04 -1.26 -5.04 135.00 134.38 2kb0 s PRO 34 Ca 0.39 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2kb0 s PRO 34 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2kb0 s PRO 34 CO 0.21 -0.95 0.00 0.00 0.04 0.00 0.00 177.00 176.30 2kb0 n ALA 35 N -1.89 0.00 -1.77 8.56 0.00 -1.26 -4.74 120.51 119.41 2kb0 n ALA 35 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 2kb0 n ALA 35 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kb0 s VAL 36 N 0.00 2.15 -0.24 0.00 -7.23 -1.26 -4.97 120.40 108.85 2kb0 s VAL 36 Ca 0.00 0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.20 2kb0 s VAL 36 Cb 0.00 -3.08 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 2kb0 s VAL 36 CO 0.00 0.02 0.16 -0.36 -0.31 0.00 0.00 175.10 174.61 2kb0 s PHE 37 N -1.19 3.32 0.33 2.82 0.08 -1.26 -5.08 117.98 116.99 2kb0 s PHE 37 Ca 0.58 0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.94 2kb0 s PHE 37 Cb -0.44 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 2kb0 s PHE 37 CO 0.57 0.08 0.20 -0.51 -0.10 0.00 0.00 175.22 175.46 2kb0 s ASP 38 N 1.00 5.01 0.26 1.36 1.01 -1.26 -4.94 116.67 119.10 2kb0 s ASP 38 Ca 0.07 -0.60 -0.06 0.00 0.71 0.00 0.00 52.55 52.67 2kb0 s ASP 38 Cb -0.13 -0.90 -0.06 0.00 1.01 0.00 0.00 42.92 42.84 2kb0 s ASP 38 CO 0.04 -0.29 0.53 0.20 0.21 0.00 0.00 175.17 175.87 2kb0 s ASN 39 N -3.90 6.49 -0.02 0.27 0.01 -1.26 -5.03 114.94 111.50 2kb0 s ASN 39 Ca 0.38 0.74 0.05 0.00 -0.71 0.00 0.00 52.86 53.32 2kb0 s ASN 39 Cb -0.05 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 2kb0 s ASN 39 CO 0.24 -0.14 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.23 2kb0 s TYR 40 N -1.98 1.44 -0.13 2.20 2.02 -1.26 -5.10 117.35 114.54 2kb0 s TYR 40 Ca 0.44 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.82 2kb0 s TYR 40 Cb -0.11 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2kb0 s TYR 40 CO 0.27 -0.05 -0.05 0.00 -1.57 0.00 0.00 175.55 174.16 2kb0 s ALA 41 N -0.29 2.99 0.08 3.71 0.00 -1.26 -3.80 121.76 123.19 2kb0 s ALA 41 Ca 0.04 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2kb0 s ALA 41 Cb -0.07 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2kb0 s ALA 41 CO -0.00 0.30 -0.10 0.14 0.00 0.00 0.00 175.76 176.10 2kb0 s VAL 42 N 0.09 0.89 0.12 0.00 -7.23 -0.94 -4.98 120.40 108.34 2kb0 s VAL 42 Ca -0.01 -1.50 0.10 0.00 -1.81 0.00 0.00 61.98 58.76 2kb0 s VAL 42 Cb -0.14 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 2kb0 s VAL 42 CO 0.03 -0.49 -0.24 0.42 -0.31 0.00 0.00 175.10 174.51 2kb0 s THR 43 N -2.12 2.01 -0.02 5.32 -4.23 -1.26 -0.07 115.64 115.27 2kb0 s THR 43 Ca 0.02 -1.67 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 2kb0 s THR 43 Cb -0.05 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 2kb0 s THR 43 CO 0.00 0.01 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.15 2kb0 s VAL 44 N -1.13 2.02 -0.01 2.29 1.01 -0.97 -4.95 120.40 118.66 2kb0 s VAL 44 Ca 0.11 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 2kb0 s VAL 44 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2kb0 s VAL 44 CO 0.05 0.57 0.78 -0.04 0.00 0.00 0.00 175.10 176.47 2kb0 s MET 45 N -0.58 4.49 -0.06 2.72 -1.94 -1.26 -2.38 119.30 120.29 2kb0 s MET 45 Ca 0.09 1.06 -0.00 0.00 -1.71 0.00 0.00 55.69 55.13 2kb0 s MET 45 Cb -0.10 -3.42 0.02 0.00 2.01 0.00 0.00 34.83 33.35 2kb0 s MET 45 CO -0.01 0.13 -0.02 0.42 -0.01 0.00 0.00 175.02 175.53 2kb0 s ILE 46 N 0.50 0.44 -0.20 2.53 1.01 -1.24 -4.79 121.20 119.46 2kb0 s ILE 46 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2kb0 s ILE 46 Cb -0.19 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2kb0 s ILE 46 CO 0.22 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2kb0 n GLY 47 N 4.53 0.18 0.76 6.18 0.00 -1.26 0.33 105.19 115.92 2kb0 n GLY 47 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2kb0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb0 n GLY 48 N -0.02 0.78 2.84 -0.02 0.00 -1.26 -5.02 105.19 102.49 2kb0 n GLY 48 Ca -0.02 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N -0.70 2.13 0.13 1.61 0.41 1.00 -5.09 118.70 118.20 2kb0 s GLU 49 Ca 0.00 -2.99 -0.32 0.00 -0.41 0.00 0.00 54.97 51.25 2kb0 s GLU 49 Cb 0.00 -3.12 -0.11 0.00 -1.78 0.00 0.00 34.13 29.12 2kb0 s GLU 49 CO 0.00 -1.26 1.80 -2.30 -0.49 0.00 0.00 175.26 173.02 2kb0 n PRO 50 N 2.38 2.72 -5.23 0.39 -0.02 -1.26 -3.63 135.00 130.34 2kb0 n PRO 50 Ca 0.17 0.99 -0.31 0.00 -2.02 0.00 0.00 63.50 62.32 2kb0 n PRO 50 Cb 0.36 -2.86 -0.16 0.00 -0.02 0.00 0.00 33.50 30.82 2kb0 n PRO 50 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2kb0 s TYR 51 N 2.38 2.42 0.30 6.00 2.02 -1.00 -4.96 117.35 124.52 2kb0 s TYR 51 Ca 0.81 -0.52 -0.27 0.00 -0.37 0.00 0.00 57.07 56.73 2kb0 s TYR 51 Cb -0.51 -1.56 -0.10 0.00 -0.40 0.00 0.00 41.96 39.39 2kb0 s TYR 51 CO 0.37 -0.08 0.93 0.95 -1.57 0.00 0.00 175.55 176.15 2kb0 s THR 52 N -0.44 4.20 -0.12 -0.71 -4.23 -1.26 -2.30 115.64 110.78 2kb0 s THR 52 Ca 0.05 1.86 0.02 0.00 -1.18 0.00 0.00 61.69 62.43 2kb0 s THR 52 Cb -0.12 -4.07 0.02 0.00 1.34 0.00 0.00 72.50 69.67 2kb0 s THR 52 CO 0.01 0.22 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.93 2kb0 s LEU 53 N -1.87 1.74 -0.23 4.79 2.96 0.90 -3.50 118.68 123.46 2kb0 s LEU 53 Ca 0.48 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2kb0 s LEU 53 Cb -0.20 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 2kb0 s LEU 53 CO 0.25 0.01 0.12 -0.83 -1.32 0.00 0.00 176.35 174.58 2kb0 s GLY 54 N 1.06 1.91 -0.19 7.98 0.00 -1.21 -2.22 107.32 114.65 2kb0 s GLY 54 Ca -0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 2kb0 s GLY 54 CO -0.03 0.39 0.03 1.08 0.00 0.00 0.00 173.10 174.57 2kb0 s LEU 55 N 1.13 3.52 -0.10 0.66 1.43 -1.25 -3.28 118.68 120.79 2kb0 s LEU 55 Ca 0.06 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2kb0 s LEU 55 Cb -0.14 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2kb0 s LEU 55 CO 0.04 0.11 -0.14 0.12 0.23 0.00 0.00 176.35 176.71 2kb0 s PHE 56 N 0.73 2.75 0.00 0.29 5.36 -1.21 -4.41 117.98 121.50 2kb0 s PHE 56 Ca 0.02 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 2kb0 s PHE 56 Cb -0.14 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 40.79 2kb0 s PHE 56 CO 0.02 -0.06 -0.02 0.34 -1.46 0.00 0.00 175.22 174.04 2kb0 s ASP 57 N -0.08 0.20 0.25 6.13 2.15 -1.26 -1.97 116.67 122.09 2kb0 s ASP 57 Ca -0.02 -0.05 -0.30 0.00 0.43 0.00 0.00 52.55 52.61 2kb0 s ASP 57 Cb -0.14 -0.02 -0.09 0.00 -0.30 0.00 0.00 42.92 42.37 2kb0 s ASP 57 CO 0.04 0.00 1.23 -0.89 -0.17 0.00 0.00 175.17 175.38 2kb0 s THR 58 N -0.11 3.23 -0.49 1.71 2.01 -1.26 -4.96 115.64 115.77 2kb0 s THR 58 Ca -0.00 1.13 0.08 0.00 0.31 0.00 0.00 61.69 63.21 2kb0 s THR 58 Cb -0.01 -3.72 0.36 0.00 0.01 0.00 0.00 72.50 69.14 2kb0 s THR 58 CO -0.00 0.23 0.92 0.00 -0.69 0.00 0.00 174.62 175.08 2kb0 n ALA 59 N 1.70 3.97 -0.14 7.40 0.00 -1.26 -5.05 120.51 127.13 2kb0 n ALA 59 Ca 0.02 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2kb0 n ALA 59 Cb 0.43 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2kb0 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb0 n GLY 60 N -0.14 1.77 7.00 0.00 0.00 -1.26 -4.90 105.19 107.67 2kb0 n GLY 60 Ca 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kb0 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kb0 n GLN 61 N 1.98 0.00 0.00 1.61 6.02 -1.26 -4.67 117.38 121.06 2kb0 n GLN 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kb0 n GLN 61 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2kb0 n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2kb0 n GLU 62 N 0.00 0.00 0.14 -1.09 2.13 -1.26 -3.96 120.64 116.59 2kb0 n GLU 62 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2kb0 n GLU 62 Cb 0.00 0.00 0.26 0.00 0.27 0.00 0.00 31.44 31.97 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kb0 n ASP 63 N 0.30 0.25 -0.32 4.31 8.00 -1.26 0.97 116.55 128.79 2kb0 n ASP 63 Ca 0.00 0.48 0.03 0.00 0.71 0.00 0.00 54.79 56.00 2kb0 n ASP 63 Cb 0.00 -0.41 0.07 0.00 -0.02 0.00 0.00 41.12 40.76 2kb0 n ASP 63 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kb0 n TYR 64 N -1.89 0.23 -3.92 1.24 4.02 -1.25 -4.89 117.16 110.70 2kb0 n TYR 64 Ca -0.01 -0.11 -0.26 0.00 -0.01 0.00 0.00 57.90 57.51 2kb0 n TYR 64 Cb 0.35 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 2kb0 n TYR 64 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2kb0 n ASP 65 N -0.01 -1.04 -0.16 7.72 2.03 0.27 -4.79 116.55 120.56 2kb0 n ASP 65 Ca 0.06 -0.95 0.15 0.00 0.52 0.00 0.00 54.79 54.56 2kb0 n ASP 65 Cb 0.15 -3.30 0.49 0.00 -0.72 0.00 0.00 41.12 37.75 2kb0 n ASP 65 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2kb0 h ARG 66 N -1.83 0.42 -5.54 -0.67 2.43 -1.90 -3.47 114.38 103.82 2kb0 h ARG 66 Ca -0.62 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.45 2kb0 h ARG 66 Cb 1.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2kb0 h ARG 66 CO 0.63 0.28 -0.41 -0.11 -1.51 0.00 0.00 179.97 178.85 2kb0 n LEU 67 N -4.48 -6.58 -0.16 3.80 7.94 -1.26 -4.82 117.00 111.44 2kb0 n LEU 67 Ca 0.14 0.13 -0.03 0.00 -1.11 0.00 0.00 56.01 55.14 2kb0 n LEU 67 Cb 0.50 -3.08 0.06 0.00 0.53 0.00 0.00 43.42 41.43 2kb0 n LEU 67 CO 0.33 -1.47 0.93 -0.09 -1.11 0.00 0.00 177.39 175.98 2kb0 h ARG 68 N 1.23 0.28 -0.77 1.96 2.43 -2.02 -1.82 114.38 115.66 2kb0 h ARG 68 Ca -0.10 -0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.28 2kb0 h ARG 68 Cb 1.07 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 2kb0 h ARG 68 CO 0.25 0.18 0.57 -1.35 -1.51 0.00 0.00 179.97 178.11 2kb0 h PRO 69 N 0.28 0.00 -5.35 0.20 0.11 -1.95 -3.44 132.00 121.86 2kb0 h PRO 69 Ca 0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.22 2kb0 h PRO 69 Cb 0.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.33 2kb0 h PRO 69 CO -0.28 0.00 -0.18 1.28 -0.21 0.00 0.00 178.00 178.61 2kb0 n LEU 70 N -4.26 -0.22 0.00 2.35 4.77 -0.69 0.11 117.00 119.07 2kb0 n LEU 70 Ca 0.16 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2kb0 n LEU 70 Cb 0.85 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2kb0 n LEU 70 CO 0.38 0.02 0.00 -0.24 -1.33 0.00 0.00 177.39 176.21 2kb0 n SER 71 N -1.69 -1.81 -2.68 -1.43 2.88 -1.26 -4.56 113.62 103.06 2kb0 n SER 71 Ca 0.02 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.53 2kb0 n SER 71 Cb 0.50 -1.91 0.03 0.00 -0.75 0.00 0.00 64.21 62.07 2kb0 n SER 71 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2kb0 s TYR 72 N -0.61 -0.27 0.27 0.66 2.02 0.30 -5.14 117.35 114.57 2kb0 s TYR 72 Ca 0.00 -0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.33 2kb0 s TYR 72 Cb 0.00 0.05 -0.13 0.00 -0.40 0.00 0.00 41.96 41.49 2kb0 s TYR 72 CO 0.00 -0.21 1.46 -2.30 -1.57 0.00 0.00 175.55 172.94 2kb0 n PRO 73 N 2.81 2.28 -0.12 -1.71 -0.02 -0.98 -4.89 135.00 132.36 2kb0 n PRO 73 Ca 0.10 0.81 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 2kb0 n PRO 73 Cb 0.65 -2.50 0.26 0.00 -0.02 0.00 0.00 33.50 31.88 2kb0 n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kb0 n GLN 74 N 1.94 2.22 -2.69 -0.52 6.02 -1.26 -4.91 117.38 118.18 2kb0 n GLN 74 Ca 0.10 -1.83 -0.42 0.00 -0.01 0.00 0.00 57.00 54.84 2kb0 n GLN 74 Cb 0.34 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.09 2kb0 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2kb0 s THR 75 N -1.69 4.65 -0.81 5.09 2.01 -1.26 -4.80 115.64 118.83 2kb0 s THR 75 Ca 0.35 2.01 0.18 0.00 0.31 0.00 0.00 61.69 64.55 2kb0 s THR 75 Cb 0.21 -4.29 -0.20 0.00 0.01 0.00 0.00 72.50 68.23 2kb0 s THR 75 CO 0.30 0.22 0.75 -0.67 -0.69 0.00 0.00 174.62 174.53 2kb0 n ASP 76 N 3.45 0.85 -3.88 3.53 2.03 -1.21 -4.91 116.55 116.41 2kb0 n ASP 76 Ca 0.05 -0.88 -0.19 0.00 0.52 0.00 0.00 54.79 54.29 2kb0 n ASP 76 Cb 0.50 1.05 -0.16 0.00 -0.72 0.00 0.00 41.12 41.78 2kb0 n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kb0 s VAL 77 N -2.75 0.43 -0.15 5.18 1.01 -1.24 -4.69 120.40 118.19 2kb0 s VAL 77 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2kb0 s VAL 77 Cb 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2kb0 s VAL 77 CO 0.75 0.19 -0.08 -0.36 0.00 0.00 0.00 175.10 175.60 2kb0 s PHE 78 N 0.86 2.93 0.03 5.22 0.40 -1.25 -3.29 117.98 122.87 2kb0 s PHE 78 Ca -0.11 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.77 2kb0 s PHE 78 Cb -0.14 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2kb0 s PHE 78 CO -0.00 -0.16 -0.11 -0.51 0.70 0.00 0.00 175.22 175.14 2kb0 s LEU 79 N 0.46 2.94 0.05 -0.37 1.43 -1.11 -3.58 118.68 118.50 2kb0 s LEU 79 Ca -0.06 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2kb0 s LEU 79 Cb -0.15 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2kb0 s LEU 79 CO 0.04 0.26 -0.15 0.68 0.23 0.00 0.00 176.35 177.41 2kb0 s VAL 80 N -0.99 1.17 -0.02 -1.59 -7.23 -1.24 -3.38 120.40 107.11 2kb0 s VAL 80 Ca 0.17 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2kb0 s VAL 80 Cb -0.11 -1.08 0.03 0.00 0.56 0.00 0.00 36.38 35.78 2kb0 s VAL 80 CO 0.07 -0.07 0.01 0.00 -0.31 0.00 0.00 175.10 174.81 2kb0 s PHE 82 N 0.98 0.67 -0.00 0.00 -0.71 -1.25 -2.85 117.98 114.81 2kb0 s PHE 82 Ca -0.09 -1.03 0.00 0.00 -1.04 0.00 0.00 56.93 54.77 2kb0 s PHE 82 Cb -0.13 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 2kb0 s PHE 82 CO -0.02 -0.63 0.05 -1.12 -1.34 0.00 0.00 175.22 172.16 2kb0 s SER 83 N -3.02 5.44 0.00 1.98 0.01 -1.26 -3.35 113.70 113.50 2kb0 s SER 83 Ca 0.22 0.08 0.13 0.00 1.31 0.00 0.00 55.95 57.69 2kb0 s SER 83 Cb 0.05 -1.51 0.34 0.00 0.21 0.00 0.00 66.02 65.11 2kb0 s SER 83 CO 0.02 0.28 1.26 0.55 0.41 0.00 0.00 173.24 175.76 2kb0 n VAL 84 N 1.27 0.87 0.07 3.43 3.14 -1.25 -4.40 118.33 121.46 2kb0 n VAL 84 Ca -0.14 -0.94 0.05 0.00 -2.96 0.00 0.00 64.34 60.35 2kb0 n VAL 84 Cb 0.53 0.60 -0.04 0.00 -1.06 0.00 0.00 33.84 33.87 2kb0 n VAL 84 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2kb0 h VAL 85 N 2.48 0.33 -3.39 1.55 2.07 -1.87 -3.30 116.25 114.11 2kb0 h VAL 85 Ca 0.00 -1.62 -0.66 0.00 0.82 0.00 0.00 66.70 65.24 2kb0 h VAL 85 Cb 0.75 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.25 2kb0 h VAL 85 CO 0.00 0.19 -0.66 -0.55 0.02 0.00 0.00 177.57 176.57 2kb0 s SER 86 N -5.70 5.02 -0.11 0.57 0.15 -1.26 -4.67 113.70 107.70 2kb0 s SER 86 Ca -0.01 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.29 2kb0 s SER 86 Cb 0.09 -1.25 -0.23 0.00 -1.71 0.00 0.00 66.02 62.91 2kb0 s SER 86 CO 0.79 0.25 0.84 1.55 1.20 0.00 0.00 173.24 177.87 2kb0 h PRO 87 N 4.07 -0.01 -0.79 5.44 0.13 -1.89 -3.26 132.00 135.69 2kb0 h PRO 87 Ca -0.48 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2kb0 h PRO 87 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2kb0 h PRO 87 CO 0.58 0.82 0.52 1.03 -0.23 0.00 0.00 178.00 180.71 2kb0 h SER 88 N -0.89 0.54 0.53 1.44 0.87 -1.98 0.45 113.55 114.50 2kb0 h SER 88 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2kb0 h SER 88 Cb 0.83 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2kb0 h SER 88 CO 0.00 0.30 -0.14 0.77 -0.53 0.00 0.00 176.83 177.23 2kb0 h SER 89 N 0.59 0.00 0.04 6.23 4.64 -1.90 -1.04 113.55 122.11 2kb0 h SER 89 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2kb0 h SER 89 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2kb0 h SER 89 CO -0.14 0.14 -0.02 0.15 -0.87 0.00 0.00 176.83 176.09 2kb0 h PHE 90 N 0.00 -0.05 -0.36 4.77 3.04 -0.15 -3.20 116.94 120.98 2kb0 h PHE 90 Ca -0.00 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 2kb0 h PHE 90 Cb 0.45 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 2kb0 h PHE 90 CO 0.00 0.49 -0.17 0.93 -2.02 0.00 0.00 178.31 177.54 2kb0 h GLU 91 N -0.62 0.67 -0.91 1.11 5.08 -1.30 -2.68 114.58 115.92 2kb0 h GLU 91 Ca -0.01 -0.24 0.22 0.00 -1.00 0.00 0.00 59.36 58.34 2kb0 h GLU 91 Cb 0.56 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2kb0 h GLU 91 CO 0.01 0.80 0.61 -0.91 -1.00 0.00 0.00 179.01 178.52 2kb0 h ASN 92 N 0.60 0.33 -0.42 1.42 2.35 -1.21 0.48 115.58 119.13 2kb0 h ASN 92 Ca 0.10 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2kb0 h ASN 92 Cb 0.63 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2kb0 h ASN 92 CO 0.04 0.12 0.09 0.58 -1.65 0.00 0.00 177.43 176.61 2kb0 h VAL 93 N 0.32 1.22 0.09 2.81 2.07 -1.47 -1.78 116.25 119.51 2kb0 h VAL 93 Ca 0.47 -0.82 -0.35 0.00 0.82 0.00 0.00 66.70 66.82 2kb0 h VAL 93 Cb 1.31 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2kb0 h VAL 93 CO -0.15 0.30 -1.98 1.17 0.02 0.00 0.00 177.57 176.93 2kb0 n LYS 94 N -4.27 0.72 -0.14 1.57 4.81 0.66 -1.09 118.16 120.42 2kb0 n LYS 94 Ca 0.03 0.29 -0.04 0.00 -0.87 0.00 0.00 58.31 57.72 2kb0 n LYS 94 Cb 0.24 -1.69 0.15 0.00 0.02 0.00 0.00 35.03 33.75 2kb0 n LYS 94 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kb0 h GLU 95 N -0.10 0.87 0.00 1.64 5.08 -0.24 -3.28 114.58 118.54 2kb0 h GLU 95 Ca -0.44 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 57.57 2kb0 h GLU 95 Cb 1.92 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 2kb0 h GLU 95 CO 0.02 0.81 -1.37 1.63 -1.00 0.00 0.00 179.01 179.10 2kb0 n LYS 96 N -4.24 0.20 -0.16 2.33 5.02 -0.68 -4.70 118.16 115.92 2kb0 n LYS 96 Ca 0.04 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 2kb0 n LYS 96 Cb 0.27 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2kb0 h TRP 97 N -0.34 1.15 0.11 2.13 4.06 -1.40 -0.75 115.95 120.91 2kb0 h TRP 97 Ca -0.21 -0.28 0.01 0.00 2.06 0.00 0.00 58.89 60.47 2kb0 h TRP 97 Cb 1.09 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 2kb0 h TRP 97 CO -0.05 1.11 -0.12 0.28 -3.56 0.00 0.00 178.44 176.10 2kb0 h VAL 98 N 0.87 0.72 -0.16 1.49 2.07 -1.17 -1.82 116.25 118.25 2kb0 h VAL 98 Ca 0.11 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.42 2kb0 h VAL 98 Cb 0.80 0.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2kb0 h VAL 98 CO 0.07 0.00 -0.71 1.55 0.02 0.00 0.00 177.57 178.50 2kb0 h PRO 99 N -0.26 0.77 -0.24 1.57 0.13 -1.73 -3.21 132.00 129.03 2kb0 h PRO 99 Ca 0.01 -0.61 0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2kb0 h PRO 99 Cb 0.26 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2kb0 h PRO 99 CO -0.04 1.22 0.17 1.49 -0.23 0.00 0.00 178.00 180.60 2kb0 h GLU 100 N 0.49 0.13 -0.03 0.86 4.81 -1.06 -0.68 114.58 119.10 2kb0 h GLU 100 Ca -0.04 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2kb0 h GLU 100 Cb 1.34 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2kb0 h GLU 100 CO 0.15 0.08 0.04 0.97 -0.73 0.00 0.00 179.01 179.53 2kb0 h ILE 101 N 0.13 0.39 -0.89 2.32 6.09 -1.32 -1.58 117.51 122.65 2kb0 h ILE 101 Ca 0.11 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.64 2kb0 h ILE 101 Cb 0.26 0.96 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 2kb0 h ILE 101 CO -0.01 0.00 0.58 0.71 -3.07 0.00 0.00 178.15 176.36 2kb0 h THR 102 N 0.00 1.13 -0.11 2.19 1.35 -1.29 0.36 112.91 116.55 2kb0 h THR 102 Ca 0.01 -0.37 0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2kb0 h THR 102 Cb 0.10 -0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.46 2kb0 h THR 102 CO -0.00 0.20 0.08 0.45 -0.25 0.00 0.00 175.52 175.99 2kb0 h HIS 103 N 1.08 0.00 -0.00 4.73 3.86 -1.46 0.19 115.15 123.56 2kb0 h HIS 103 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2kb0 h HIS 103 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2kb0 h HIS 103 CO -0.00 0.00 -0.11 0.72 0.86 0.00 0.00 177.93 179.40 2kb0 n HIS 104 N -4.51 0.00 -2.81 2.45 -0.00 0.09 -4.98 115.22 105.46 2kb0 n HIS 104 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 2kb0 n HIS 104 Cb 0.19 -0.33 0.01 0.00 -0.00 0.00 0.00 29.99 29.86 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb0 n PRO 106 N 0.21 0.23 -0.05 0.00 -0.02 -1.26 -4.54 135.00 129.58 2kb0 n PRO 106 Ca 0.06 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 2kb0 n PRO 106 Cb 0.25 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2kb0 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kb0 n LYS 107 N 6.89 0.90 -4.13 -0.52 5.02 -1.26 -5.07 118.16 119.99 2kb0 n LYS 107 Ca 0.58 -0.91 -0.10 0.00 -2.02 0.00 0.00 58.31 55.85 2kb0 n LYS 107 Cb 0.27 -0.68 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 2kb0 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kb0 s THR 108 N -0.40 0.57 0.41 -0.18 -4.23 -1.26 -5.13 115.64 105.41 2kb0 s THR 108 Ca 0.01 -1.72 -0.27 0.00 -1.18 0.00 0.00 61.69 58.54 2kb0 s THR 108 Cb 0.01 -1.40 -0.10 0.00 1.34 0.00 0.00 72.50 72.35 2kb0 s THR 108 CO 0.00 -0.79 1.47 -0.81 -0.54 0.00 0.00 174.62 173.96 2kb0 n PRO 109 N 0.33 2.52 -4.69 3.99 -0.04 -1.26 -4.98 135.00 130.86 2kb0 n PRO 109 Ca -0.15 0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 63.92 2kb0 n PRO 109 Cb 0.59 -2.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 2kb0 n PRO 109 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kb0 s PHE 110 N -1.15 2.10 -0.08 0.54 0.08 -1.26 -3.94 117.98 114.28 2kb0 s PHE 110 Ca 0.56 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.26 2kb0 s PHE 110 Cb -0.46 -1.23 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2kb0 s PHE 110 CO 0.61 0.15 -0.22 -0.51 -0.10 0.00 0.00 175.22 175.16 2kb0 s LEU 111 N -1.39 2.01 -0.27 -0.37 1.02 -1.23 -3.01 118.68 115.42 2kb0 s LEU 111 Ca 0.10 -0.49 -0.09 0.00 0.02 0.00 0.00 54.13 53.67 2kb0 s LEU 111 Cb -0.10 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 2kb0 s LEU 111 CO 0.03 0.16 0.13 -0.22 0.02 0.00 0.00 176.35 176.47 2kb0 s LEU 112 N 0.24 3.79 -0.08 1.79 2.96 -0.87 -3.59 118.68 122.92 2kb0 s LEU 112 Ca -0.13 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2kb0 s LEU 112 Cb -0.16 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2kb0 s LEU 112 CO 0.06 -0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.22 2kb0 s VAL 113 N 1.66 3.35 -0.18 1.68 1.01 -1.24 -0.74 120.40 125.93 2kb0 s VAL 113 Ca 0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2kb0 s VAL 113 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2kb0 s VAL 113 CO 0.07 0.58 0.02 -0.83 0.00 0.00 0.00 175.10 174.94 2kb0 s GLY 114 N -0.50 1.81 0.24 4.51 0.00 0.20 -3.89 107.32 109.69 2kb0 s GLY 114 Ca 0.07 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 44.04 2kb0 s GLY 114 CO 0.02 0.08 -0.12 -0.51 0.00 0.00 0.00 173.10 172.57 2kb0 s THR 115 N 0.54 1.79 0.00 0.90 -4.23 -1.21 -0.15 115.64 113.28 2kb0 s THR 115 Ca 0.01 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 2kb0 s THR 115 Cb -0.13 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2kb0 s THR 115 CO 0.02 -0.47 0.00 1.67 -0.54 0.00 0.00 174.62 175.30 2kb0 n GLN 116 N -0.48 0.00 0.00 3.99 7.27 -1.23 -3.95 117.38 122.98 2kb0 n GLN 116 Ca -0.07 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2kb0 n GLN 116 Cb 0.61 -3.19 0.00 0.00 2.41 0.00 0.00 30.24 30.08 2kb0 n GLN 116 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2kb0 n ILE 117 N -2.81 0.00 0.00 1.69 3.06 -1.25 -3.48 119.36 116.56 2kb0 n ILE 117 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2kb0 n ILE 117 Cb 0.00 -0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.05 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2kb0 n ASP 118 N -1.51 0.00 -0.06 9.51 8.00 -1.26 -3.85 116.55 127.38 2kb0 n ASP 118 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 2kb0 n ASP 118 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.47 2kb0 n ASP 118 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kb0 h LEU 119 N 0.00 0.59 -1.68 0.64 4.07 -2.00 -3.45 115.31 113.48 2kb0 h LEU 119 Ca 0.00 -0.02 -0.36 0.00 0.08 0.00 0.00 57.88 57.58 2kb0 h LEU 119 Cb 0.00 -0.15 -0.16 0.00 1.08 0.00 0.00 40.66 41.43 2kb0 h LEU 119 CO 0.00 0.43 -0.55 0.54 -1.08 0.00 0.00 178.44 177.77 2kb0 n ARG 120 N -4.46 -0.91 -2.20 1.13 1.74 -1.24 -1.32 116.66 109.40 2kb0 n ARG 120 Ca 0.05 0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 2kb0 n ARG 120 Cb 0.05 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 2kb0 n ARG 120 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kb0 n ASP 121 N -1.37 -4.87 -4.09 0.55 2.03 -1.26 -4.93 116.55 102.60 2kb0 n ASP 121 Ca -0.09 0.13 -0.35 0.00 0.52 0.00 0.00 54.79 55.00 2kb0 n ASP 121 Cb 0.35 -3.13 0.06 0.00 -0.72 0.00 0.00 41.12 37.68 2kb0 n ASP 121 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kb0 n ASP 122 N -0.83 -5.04 0.03 1.67 9.92 -0.43 -4.09 116.55 117.77 2kb0 n ASP 122 Ca 0.03 0.20 -0.11 0.00 -0.53 0.00 0.00 54.79 54.38 2kb0 n ASP 122 Cb 0.35 -0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 39.93 2kb0 n ASP 122 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kb0 h PRO 123 N -1.14 -0.42 -0.45 -0.24 0.13 -1.91 0.27 132.00 128.24 2kb0 h PRO 123 Ca -0.44 0.03 0.13 0.00 -0.87 0.00 0.00 66.00 64.85 2kb0 h PRO 123 Cb 1.30 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2kb0 h PRO 123 CO 0.26 -0.28 0.36 0.66 -0.23 0.00 0.00 178.00 178.77 2kb0 h SER 124 N -0.44 0.00 0.01 1.44 4.64 -2.01 -2.19 113.55 115.00 2kb0 h SER 124 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2kb0 h SER 124 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2kb0 h SER 124 CO -0.31 0.00 -0.00 0.74 -0.87 0.00 0.00 176.83 176.39 2kb0 h THR 125 N 0.00 1.60 -0.34 2.95 2.02 -1.29 -3.24 112.91 114.61 2kb0 h THR 125 Ca 0.22 -2.05 0.10 0.00 0.77 0.00 0.00 66.41 65.45 2kb0 h THR 125 Cb 0.94 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 2kb0 h THR 125 CO -0.00 0.51 0.30 -0.29 0.37 0.00 0.00 175.52 176.41 2kb0 h ILE 126 N -0.92 0.59 -0.28 3.11 2.10 -0.53 0.73 117.51 122.31 2kb0 h ILE 126 Ca -0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 2kb0 h ILE 126 Cb 0.85 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 2kb0 h ILE 126 CO 0.00 0.00 0.01 -0.33 -1.08 0.00 0.00 178.15 176.75 2kb0 h GLU 127 N 0.00 0.48 -0.66 2.19 5.08 -1.48 0.47 114.58 120.67 2kb0 h GLU 127 Ca 0.16 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kb0 h GLU 127 Cb 0.77 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2kb0 h GLU 127 CO -0.00 0.63 0.40 -0.22 -1.00 0.00 0.00 179.01 178.81 2kb0 h LYS 128 N 0.27 0.89 -0.04 2.33 3.64 -0.90 -2.01 116.57 120.75 2kb0 h LYS 128 Ca 0.08 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2kb0 h LYS 128 Cb 0.41 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kb0 h LYS 128 CO 0.01 0.63 -0.92 -0.07 -2.27 0.00 0.00 179.45 176.83 2kb0 h LEU 129 N 0.91 0.72 -1.10 5.20 3.38 -1.01 -3.19 115.31 120.23 2kb0 h LEU 129 Ca 0.24 -0.55 0.17 0.00 0.09 0.00 0.00 57.88 57.83 2kb0 h LEU 129 Cb -0.04 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.40 2kb0 h LEU 129 CO -0.04 1.34 0.61 0.00 0.09 0.00 0.00 178.44 180.44 2kb0 h ALA 130 N 0.62 1.71 -0.89 1.53 0.00 0.68 0.52 119.26 123.44 2kb0 h ALA 130 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kb0 h ALA 130 Cb 1.55 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2kb0 h ALA 130 CO 0.17 -0.02 0.57 -0.22 0.00 0.00 0.00 179.25 179.75 2kb0 h LYS 131 N 0.78 1.19 -0.15 0.00 3.64 -1.47 -1.27 116.57 119.29 2kb0 h LYS 131 Ca 0.53 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2kb0 h LYS 131 Cb 0.79 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2kb0 h LYS 131 CO -0.30 0.81 0.00 0.09 -2.27 0.00 0.00 179.45 177.77 2kb0 n ASN 132 N -4.44 1.94 -3.85 4.20 5.03 0.38 -4.93 115.26 113.59 2kb0 n ASN 132 Ca 0.10 -1.71 -0.29 0.00 0.87 0.00 0.00 54.58 53.54 2kb0 n ASN 132 Cb 0.03 -0.09 0.04 0.00 -1.02 0.00 0.00 39.78 38.74 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2kb0 n LYS 133 N 0.50 -5.94 -0.10 3.52 5.02 0.16 -4.89 118.16 116.42 2kb0 n LYS 133 Ca 0.17 0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 2kb0 n LYS 133 Cb 0.39 -5.55 -0.09 0.00 -0.02 0.00 0.00 35.03 29.76 2kb0 n LYS 133 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kb0 n GLN 134 N -4.72 0.54 -1.28 1.97 6.02 -0.93 -5.00 117.38 113.97 2kb0 n GLN 134 Ca 0.02 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2kb0 n GLN 134 Cb 0.54 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2kb0 n GLN 134 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kb0 n LYS 135 N -4.45 -3.67 -1.66 -1.09 5.02 -1.26 -4.91 118.16 106.15 2kb0 n LYS 135 Ca -0.29 2.73 -0.34 0.00 -2.02 0.00 0.00 58.31 58.40 2kb0 n LYS 135 Cb 0.61 -3.07 0.06 0.00 -0.02 0.00 0.00 35.03 32.61 2kb0 n LYS 135 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kb0 s PRO 136 N -4.14 2.57 0.00 1.97 0.04 -1.26 -4.81 135.00 129.36 2kb0 s PRO 136 Ca 0.00 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 2kb0 s PRO 136 Cb 0.00 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2kb0 s PRO 136 CO 0.00 -1.46 0.40 0.42 0.04 0.00 0.00 177.00 176.40 2kb0 s ILE 137 N -2.17 5.05 0.52 0.56 -1.09 -1.24 -5.07 121.20 117.74 2kb0 s ILE 137 Ca 0.70 0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 59.77 2kb0 s ILE 137 Cb -0.24 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 36.87 2kb0 s ILE 137 CO 0.42 0.56 0.96 0.42 -1.23 0.00 0.00 174.94 176.08 2kb0 s THR 138 N -1.10 4.60 0.47 2.92 -4.23 -1.26 -4.82 115.64 112.21 2kb0 s THR 138 Ca 0.24 1.08 0.12 0.00 -1.18 0.00 0.00 61.69 61.95 2kb0 s THR 138 Cb -0.16 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.21 2kb0 s THR 138 CO 0.13 -0.74 2.10 1.55 -0.54 0.00 0.00 174.62 177.12 2kb0 h PRO 139 N 0.76 0.25 -0.71 3.99 0.13 -1.97 -1.97 132.00 132.47 2kb0 h PRO 139 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kb0 h PRO 139 Cb 1.19 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2kb0 h PRO 139 CO 0.62 0.17 0.38 1.49 -0.23 0.00 0.00 178.00 180.42 2kb0 h GLU 140 N 0.26 0.99 -0.22 0.86 4.81 -1.99 0.11 114.58 119.39 2kb0 h GLU 140 Ca 0.09 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2kb0 h GLU 140 Cb 0.04 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2kb0 h GLU 140 CO -0.02 0.73 -0.19 1.15 -0.73 0.00 0.00 179.01 179.95 2kb0 h THR 141 N 0.99 1.24 0.03 0.32 2.02 -1.74 -2.80 112.91 112.97 2kb0 h THR 141 Ca 0.25 -1.08 -0.25 0.00 0.77 0.00 0.00 66.41 66.10 2kb0 h THR 141 Cb 0.04 1.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2kb0 h THR 141 CO -0.04 0.34 -1.03 0.00 0.37 0.00 0.00 175.52 175.16 2kb0 h ALA 142 N 1.45 0.25 -0.57 6.16 0.00 -1.19 -3.25 119.26 122.10 2kb0 h ALA 142 Ca 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 54.91 54.27 2kb0 h ALA 142 Cb 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2kb0 h ALA 142 CO 0.04 0.79 0.38 1.49 0.00 0.00 0.00 179.25 181.95 2kb0 h GLU 143 N 0.25 0.62 -0.46 0.00 4.81 -0.56 -1.34 114.58 117.90 2kb0 h GLU 143 Ca -0.11 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2kb0 h GLU 143 Cb 1.69 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 2kb0 h GLU 143 CO 0.19 0.41 0.04 0.87 -0.73 0.00 0.00 179.01 179.78 2kb0 h LYS 144 N 0.64 0.72 -0.74 1.92 1.57 -1.56 -2.40 116.57 116.73 2kb0 h LYS 144 Ca 0.23 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2kb0 h LYS 144 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2kb0 h LYS 144 CO -0.06 0.71 0.28 1.25 -0.57 0.00 0.00 179.45 181.06 2kb0 h LEU 145 N 0.69 1.02 -0.23 2.94 5.85 -1.34 -1.98 115.31 122.26 2kb0 h LEU 145 Ca 0.14 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2kb0 h LEU 145 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2kb0 h LEU 145 CO 0.01 0.92 -0.07 0.00 -0.34 0.00 0.00 178.44 178.95 2kb0 h ALA 146 N 1.23 0.33 0.00 1.25 0.00 -1.31 -2.33 119.26 118.42 2kb0 h ALA 146 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kb0 h ALA 146 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kb0 h ALA 146 CO -0.02 0.14 0.00 -2.13 0.00 0.00 0.00 179.25 177.24 2kb0 n ARG 147 N -4.55 0.79 0.01 0.00 3.00 -0.94 -2.56 116.66 112.41 2kb0 n ARG 147 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.71 2kb0 n ARG 147 Cb 0.31 -1.02 0.04 0.00 0.00 0.00 0.00 32.46 31.79 2kb0 n ARG 147 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2kb0 h ASP 148 N 0.00 0.63 0.00 6.15 3.58 -0.77 -3.43 116.42 122.57 2kb0 h ASP 148 Ca 0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2kb0 h ASP 148 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2kb0 h ASP 148 CO 0.00 1.07 0.00 0.18 -2.88 0.00 0.00 179.24 177.61 2kb0 n LEU 149 N -3.94 0.00 -2.74 2.28 4.77 -1.20 -5.03 117.00 111.13 2kb0 n LEU 149 Ca -0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 2kb0 n LEU 149 Cb 0.62 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.79 2kb0 n LEU 149 CO 0.48 0.00 0.24 0.29 -1.33 0.00 0.00 177.39 177.06 2kb0 n LYS 150 N -0.25 1.13 -1.95 3.23 5.02 -1.26 -5.11 118.16 118.97 2kb0 n LYS 150 Ca 0.00 -2.38 -0.42 0.00 -2.02 0.00 0.00 58.31 53.49 2kb0 n LYS 150 Cb 0.00 -0.70 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 s ALA 151 N -0.95 3.74 -0.02 7.82 0.00 -1.06 -4.83 121.76 126.47 2kb0 s ALA 151 Ca 0.25 1.37 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 2kb0 s ALA 151 Cb 0.39 -3.61 -0.19 0.00 0.00 0.00 0.00 23.12 19.72 2kb0 s ALA 151 CO -0.05 -0.78 1.21 0.28 0.00 0.00 0.00 175.76 176.43 2kb0 h VAL 152 N 3.88 1.13 -2.55 0.00 2.07 -1.89 -3.47 116.25 115.43 2kb0 h VAL 152 Ca -0.44 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 2kb0 h VAL 152 Cb 1.21 1.74 -0.15 0.00 -1.52 0.00 0.00 31.29 32.57 2kb0 h VAL 152 CO 0.88 0.23 0.21 -0.75 0.02 0.00 0.00 177.57 178.16 2kb0 s LYS 153 N -4.29 1.18 0.04 1.57 2.20 -1.25 -5.09 119.74 114.11 2kb0 s LYS 153 Ca -0.15 -0.15 0.09 0.00 -0.36 0.00 0.00 55.97 55.40 2kb0 s LYS 153 Cb 0.02 0.55 -0.03 0.00 -1.51 0.00 0.00 37.83 36.86 2kb0 s LYS 153 CO 0.61 -0.46 -0.25 1.52 -0.36 0.00 0.00 175.35 176.41 2kb0 s TYR 154 N -2.62 2.21 0.03 4.03 1.13 -1.26 -2.05 117.35 118.82 2kb0 s TYR 154 Ca -0.04 -0.40 -0.04 0.00 -1.41 0.00 0.00 57.07 55.17 2kb0 s TYR 154 Cb -0.01 -1.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.52 2kb0 s TYR 154 CO -0.03 0.12 0.06 0.14 -2.51 0.00 0.00 175.55 173.33 2kb0 s VAL 155 N -0.80 0.13 0.02 -3.49 -7.23 0.08 -4.97 120.40 104.14 2kb0 s VAL 155 Ca 0.11 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2kb0 s VAL 155 Cb -0.10 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 2kb0 s VAL 155 CO 0.02 -0.61 -0.26 -1.61 -0.31 0.00 0.00 175.10 172.33 2kb0 s GLU 156 N -2.47 1.91 0.02 4.82 2.02 -1.26 0.59 118.70 124.32 2kb0 s GLU 156 Ca -0.06 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 53.87 2kb0 s GLU 156 Cb -0.02 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2kb0 s GLU 156 CO -0.04 0.53 0.01 0.00 0.02 0.00 0.00 175.26 175.78 2kb0 s SER 158 N -1.42 5.17 0.24 0.00 0.15 -1.25 -3.55 113.70 113.04 2kb0 s SER 158 Ca -0.15 -1.40 0.07 0.00 0.70 0.00 0.00 55.95 55.17 2kb0 s SER 158 Cb -0.09 -1.81 0.27 0.00 -1.71 0.00 0.00 66.02 62.67 2kb0 s SER 158 CO -0.00 -0.36 1.56 0.00 1.20 0.00 0.00 173.24 175.64 2kb0 h ALA 159 N 8.12 0.87 -0.74 5.45 0.00 -1.92 -0.38 119.26 130.65 2kb0 h ALA 159 Ca -0.20 -0.58 0.18 0.00 0.00 0.00 0.00 54.91 54.31 2kb0 h ALA 159 Cb 1.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2kb0 h ALA 159 CO 0.61 0.78 0.51 1.25 0.00 0.00 0.00 179.25 182.40 2kb0 h LEU 160 N 0.08 0.18 -9.14 0.00 5.85 -1.93 -3.41 115.31 106.95 2kb0 h LEU 160 Ca -0.01 0.01 -0.49 0.00 0.84 0.00 0.00 57.88 58.24 2kb0 h LEU 160 Cb 1.15 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.02 2kb0 h LEU 160 CO 0.09 0.09 -0.67 0.42 -0.34 0.00 0.00 178.44 178.03 2kb0 s THR 161 N -5.19 1.58 -1.69 1.05 -4.23 -1.09 -4.99 115.64 101.09 2kb0 s THR 161 Ca -0.06 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2kb0 s THR 161 Cb 0.21 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2kb0 s THR 161 CO 0.76 -0.28 0.42 0.00 -0.54 0.00 0.00 174.62 174.98 2kb0 n GLN 162 N -0.59 0.49 0.00 3.99 1.13 -1.26 -2.83 117.38 118.31 2kb0 n GLN 162 Ca -0.05 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.15 2kb0 n GLN 162 Cb 0.64 -1.08 0.57 0.00 0.11 0.00 0.00 30.24 30.48 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2kb0 n LYS 163 N -0.26 0.72 -0.10 -1.09 4.81 -1.24 -3.47 118.16 117.52 2kb0 n LYS 163 Ca 0.00 -0.28 -0.22 0.00 -0.87 0.00 0.00 58.31 56.95 2kb0 n LYS 163 Cb 0.04 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 33.48 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kb0 n GLY 164 N 1.29 -0.83 0.32 3.14 0.00 -0.17 -3.87 105.19 105.07 2kb0 n GLY 164 Ca 0.14 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -1.00 1.02 -1.80 0.99 -0.00 -1.80 -2.45 115.31 110.28 2kb0 h LEU 165 Ca -0.35 -0.21 0.04 0.00 -0.00 0.00 0.00 57.88 57.35 2kb0 h LEU 165 Cb 1.29 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2kb0 h LEU 165 CO -0.21 0.99 0.22 0.11 -0.00 0.00 0.00 178.44 179.54 2kb0 h LYS 166 N 1.03 0.25 -0.00 1.13 1.57 -1.75 0.75 116.57 119.55 2kb0 h LYS 166 Ca 0.21 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2kb0 h LYS 166 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2kb0 h LYS 166 CO 0.00 0.17 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.05 2kb0 h ASN 167 N 0.26 0.03 0.80 0.86 -1.24 -1.56 -3.24 115.58 111.50 2kb0 h ASN 167 Ca 0.14 -0.69 0.00 0.00 0.71 0.00 0.00 56.30 56.46 2kb0 h ASN 167 Cb 0.23 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2kb0 h ASN 167 CO -0.03 0.72 -0.03 1.33 -1.29 0.00 0.00 177.43 178.13 2kb0 n VAL 168 N -4.73 0.00 -0.02 2.57 0.24 -0.98 -3.76 118.33 111.66 2kb0 n VAL 168 Ca -0.09 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 2kb0 n VAL 168 Cb 0.36 -0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 32.18 2kb0 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2kb0 h PHE 169 N 0.03 -0.02 -0.63 6.34 3.57 0.48 -1.42 116.94 125.30 2kb0 h PHE 169 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2kb0 h PHE 169 Cb 0.42 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2kb0 h PHE 169 CO 0.00 0.59 0.27 -0.44 -2.23 0.00 0.00 178.31 176.50 2kb0 h ASP 170 N -0.64 0.85 -0.27 0.41 3.32 -1.66 -2.59 116.42 115.84 2kb0 h ASP 170 Ca -0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 2kb0 h ASP 170 Cb 0.61 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2kb0 h ASP 170 CO 0.00 0.77 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.84 2kb0 h GLU 171 N 0.87 0.68 -0.65 3.56 4.39 -1.65 -2.64 114.58 119.15 2kb0 h GLU 171 Ca 0.21 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2kb0 h GLU 171 Cb 0.17 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2kb0 h GLU 171 CO -0.02 0.78 0.43 0.00 -1.16 0.00 0.00 179.01 179.04 2kb0 h ALA 172 N 1.24 1.73 -0.76 3.43 0.00 -0.86 -1.28 119.26 122.77 2kb0 h ALA 172 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kb0 h ALA 172 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kb0 h ALA 172 CO 0.04 0.17 0.28 0.82 0.00 0.00 0.00 179.25 180.56 2kb0 h ILE 173 N 0.68 1.26 -0.65 0.00 2.04 -1.30 -2.74 117.51 116.80 2kb0 h ILE 173 Ca 0.27 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.40 2kb0 h ILE 173 Cb 0.21 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 2kb0 h ILE 173 CO -0.08 0.34 0.20 0.25 0.00 0.00 0.00 178.15 178.86 2kb0 h LEU 174 N 1.12 0.12 -1.41 1.44 5.85 -1.23 0.17 115.31 121.37 2kb0 h LEU 174 Ca 0.25 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 2kb0 h LEU 174 Cb 0.25 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2kb0 h LEU 174 CO -0.02 0.06 0.05 0.00 -0.34 0.00 0.00 178.44 178.20 2kb0 h ALA 175 N 1.49 1.53 -0.79 1.25 0.00 -1.46 -2.51 119.26 118.76 2kb0 h ALA 175 Ca 0.34 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.25 2kb0 h ALA 175 Cb 0.50 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2kb0 h ALA 175 CO -0.39 0.35 0.36 0.00 0.00 0.00 0.00 179.25 179.58 2kb0 h ALA 176 N 1.63 1.14 -0.49 0.00 0.00 -0.50 0.20 119.26 121.25 2kb0 h ALA 176 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2kb0 h ALA 176 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kb0 h ALA 176 CO -0.00 -0.15 0.17 -0.07 0.00 0.00 0.00 179.25 179.20 2kb0 h LEU 177 N 0.53 0.64 0.00 0.00 3.38 -1.36 -3.50 115.31 115.00 2kb0 h LEU 177 Ca 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2kb0 h LEU 177 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kb0 h LEU 177 CO -0.38 0.60 0.00 -0.62 0.09 0.00 0.00 178.44 178.13