#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 0.23 -5.86 0.03 4.20 -2.02 -3.43 115.11 108.26 2kb0 h GLN 2 Ca 0.00 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.16 2kb0 h GLN 2 Cb 0.00 -0.05 -0.14 0.00 0.30 0.00 0.00 27.48 27.59 2kb0 h GLN 2 CO 0.00 0.19 -0.74 0.95 -0.67 0.00 0.00 178.83 178.57 2kb0 s THR 3 N -5.14 2.08 -0.21 -0.54 -4.23 -1.26 -4.00 115.64 102.34 2kb0 s THR 3 Ca -0.06 -2.29 -0.01 0.00 -1.18 0.00 0.00 61.69 58.15 2kb0 s THR 3 Cb 0.17 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2kb0 s THR 3 CO 0.70 -0.47 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.56 2kb0 s ILE 4 N -2.75 2.61 -0.21 2.99 -1.09 -0.70 -4.96 121.20 117.09 2kb0 s ILE 4 Ca 0.27 -0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 57.63 2kb0 s ILE 4 Cb -0.02 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 2kb0 s ILE 4 CO 0.11 0.43 0.73 -0.54 -1.23 0.00 0.00 174.94 174.45 2kb0 s LYS 5 N 1.35 4.21 -0.03 2.79 1.02 -1.26 -3.76 119.74 124.05 2kb0 s LYS 5 Ca 0.04 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.82 2kb0 s LYS 5 Cb -0.14 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2kb0 s LYS 5 CO -0.08 -0.36 0.01 0.00 -0.92 0.00 0.00 175.35 173.99 2kb0 s VAL 7 N 1.19 2.97 -0.15 0.00 1.01 -1.25 -3.71 120.40 120.45 2kb0 s VAL 7 Ca -0.08 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 2kb0 s VAL 7 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2kb0 s VAL 7 CO -0.02 0.44 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 2kb0 s VAL 8 N -0.86 4.62 -0.03 2.92 1.01 -1.21 -3.21 120.40 123.65 2kb0 s VAL 8 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2kb0 s VAL 8 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2kb0 s VAL 8 CO 0.04 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 2kb0 s VAL 9 N -0.03 0.86 -0.06 2.92 1.01 -0.93 -4.77 120.40 119.40 2kb0 s VAL 9 Ca 0.05 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2kb0 s VAL 9 Cb -0.12 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.53 2kb0 s VAL 9 CO 0.01 0.26 0.41 -0.83 0.00 0.00 0.00 175.10 174.96 2kb0 s GLY 10 N 0.14 -0.28 -0.43 4.51 0.00 -1.26 -1.24 107.32 108.77 2kb0 s GLY 10 Ca -0.03 0.73 -0.25 0.00 0.00 0.00 0.00 44.72 45.18 2kb0 s GLY 10 CO 0.01 0.50 0.89 -0.35 0.00 0.00 0.00 173.10 174.15 2kb0 s ASP 11 N -0.94 6.53 0.00 1.64 2.15 -1.25 -4.76 116.67 120.05 2kb0 s ASP 11 Ca -0.10 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2kb0 s ASP 11 Cb -0.04 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2kb0 s ASP 11 CO 0.05 -0.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 2kb0 n GLY 12 N 4.77 0.24 1.25 2.66 0.00 -1.26 -4.83 105.19 108.03 2kb0 n GLY 12 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 3.56 -2.46 -0.22 4.61 0.00 -1.26 -4.38 120.51 120.36 2kb0 n ALA 13 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 2kb0 n ALA 13 Cb 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.45 2kb0 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kb0 h VAL 14 N 2.15 1.20 -2.15 0.00 2.07 -2.02 -3.10 116.25 114.40 2kb0 h VAL 14 Ca 0.00 -0.52 -0.69 0.00 0.82 0.00 0.00 66.70 66.31 2kb0 h VAL 14 Cb 0.00 0.40 -0.35 0.00 -1.52 0.00 0.00 31.29 29.82 2kb0 h VAL 14 CO 0.00 0.22 0.14 0.61 0.02 0.00 0.00 177.57 178.56 2kb0 n GLY 15 N -1.04 5.85 0.32 2.17 0.00 -1.26 -4.80 105.19 106.43 2kb0 n GLY 15 Ca 0.04 -2.68 -0.06 0.00 0.00 0.00 0.00 46.02 43.32 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 3.38 1.11 0.06 1.61 3.64 -1.74 -2.18 116.57 122.45 2kb0 h LYS 16 Ca 0.35 -0.21 -0.26 0.00 -1.27 0.00 0.00 60.65 59.26 2kb0 h LYS 16 Cb 0.43 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2kb0 h LYS 16 CO 1.02 0.92 -1.31 1.79 -2.27 0.00 0.00 179.45 179.60 2kb0 h THR 17 N 1.07 1.38 -0.08 1.00 1.35 -1.90 -3.31 112.91 112.42 2kb0 h THR 17 Ca 0.25 -3.06 -0.06 0.00 -0.55 0.00 0.00 66.41 62.98 2kb0 h THR 17 Cb 0.23 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 2kb0 h THR 17 CO -0.02 0.84 -0.24 0.00 -0.25 0.00 0.00 175.52 175.85 2kb0 h LEU 19 N 0.12 0.79 -0.58 0.00 5.85 -1.48 -0.26 115.31 119.75 2kb0 h LEU 19 Ca 0.02 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 2kb0 h LEU 19 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2kb0 h LEU 19 CO 0.04 1.01 0.03 -0.07 -0.34 0.00 0.00 178.44 179.11 2kb0 h LEU 20 N 0.56 0.97 -0.56 2.25 3.38 -1.60 -2.98 115.31 117.34 2kb0 h LEU 20 Ca 0.08 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2kb0 h LEU 20 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kb0 h LEU 20 CO 0.05 1.03 -0.57 0.40 0.09 0.00 0.00 178.44 179.44 2kb0 h ILE 21 N 0.89 1.34 -0.98 1.22 2.04 -1.33 -3.15 117.51 117.54 2kb0 h ILE 21 Ca 0.17 -1.84 0.22 0.00 1.00 0.00 0.00 64.86 64.41 2kb0 h ILE 21 Cb 0.51 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 38.34 2kb0 h ILE 21 CO 0.02 0.56 0.63 0.77 0.00 0.00 0.00 178.15 180.14 2kb0 h SER 22 N 0.35 0.51 0.23 1.72 4.64 -0.88 0.99 113.55 121.11 2kb0 h SER 22 Ca 0.00 0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 61.14 2kb0 h SER 22 Cb 1.10 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2kb0 h SER 22 CO 0.10 0.16 -1.06 0.22 -0.87 0.00 0.00 176.83 175.39 2kb0 h TYR 23 N 0.49 0.80 -0.60 4.77 3.20 -1.61 -1.31 116.97 122.71 2kb0 h TYR 23 Ca 0.54 -0.46 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2kb0 h TYR 23 Cb 1.23 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2kb0 h TYR 23 CO -0.00 1.30 0.17 1.79 -1.64 0.00 0.00 178.16 179.77 2kb0 h THR 24 N 0.27 1.23 0.00 1.81 1.35 -0.85 -3.41 112.91 113.31 2kb0 h THR 24 Ca -0.12 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2kb0 h THR 24 Cb 1.71 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2kb0 h THR 24 CO 0.19 0.31 0.00 1.07 -0.25 0.00 0.00 175.52 176.84 2kb0 n THR 25 N -4.27 0.00 -0.18 6.82 5.66 -0.60 -5.12 114.28 116.58 2kb0 n THR 25 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2kb0 n THR 25 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 2kb0 n THR 25 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kb0 n ASN 26 N 0.00 -0.48 -2.65 1.09 5.15 -0.50 -5.01 115.26 112.86 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 0.09 -0.24 0.10 0.00 -0.53 0.00 0.00 39.78 39.20 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 2.28 0.01 -0.24 1.20 3.00 -1.26 -4.84 118.16 118.31 2kb0 n LYS 27 Ca 0.00 -0.52 -0.06 0.00 -0.00 0.00 0.00 58.31 57.73 2kb0 n LYS 27 Cb 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 35.03 35.06 2kb0 n LYS 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2kb0 h PHE 28 N 1.88 0.93 -0.36 5.64 0.04 -1.90 -2.58 116.94 120.60 2kb0 h PHE 28 Ca -0.39 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.41 2kb0 h PHE 28 Cb 1.24 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.07 2kb0 h PHE 28 CO -0.25 0.68 0.25 -1.35 -0.60 0.00 0.00 178.31 177.03 2kb0 h PRO 29 N 0.92 0.20 -6.26 1.51 0.11 -1.95 -3.45 132.00 123.08 2kb0 h PRO 29 Ca 0.23 -0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.89 2kb0 h PRO 29 Cb 0.07 -0.05 -0.27 0.00 0.11 0.00 0.00 31.00 30.86 2kb0 h PRO 29 CO -0.03 0.13 -0.63 -1.13 -0.21 0.00 0.00 178.00 176.12 2kb0 n SER 30 N -4.47 -1.46 -0.34 -2.05 3.41 -0.97 -4.65 113.62 103.08 2kb0 n SER 30 Ca 0.05 -0.78 0.30 0.00 -0.26 0.00 0.00 58.87 58.18 2kb0 n SER 30 Cb 0.28 -1.30 0.53 0.00 -0.26 0.00 0.00 64.21 63.46 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 -3.34 -0.04 -4.16 4.33 1.02 -1.26 -3.69 120.64 113.50 2kb0 n GLU 31 Ca 0.08 1.05 -0.29 0.00 -0.02 0.00 0.00 57.16 57.99 2kb0 n GLU 31 Cb 0.41 -2.01 -0.17 0.00 -0.02 0.00 0.00 31.44 29.65 2kb0 n GLU 31 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2kb0 s TYR 32 N -5.04 1.96 0.58 -0.32 5.04 -1.26 -5.11 117.35 113.19 2kb0 s TYR 32 Ca -0.06 -1.02 -0.20 0.00 -2.44 0.00 0.00 57.07 53.35 2kb0 s TYR 32 Cb 0.26 -1.46 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 2kb0 s TYR 32 CO 0.65 -0.57 1.26 0.14 -1.34 0.00 0.00 175.55 175.70 2kb0 s VAL 33 N 1.34 2.42 0.39 3.14 -7.23 -1.24 -4.92 120.40 114.30 2kb0 s VAL 33 Ca 0.01 0.28 -0.27 0.00 -1.81 0.00 0.00 61.98 60.19 2kb0 s VAL 33 Cb -0.13 -3.13 -0.11 0.00 0.56 0.00 0.00 36.38 33.57 2kb0 s VAL 33 CO -0.07 -0.04 1.30 -0.81 -0.31 0.00 0.00 175.10 175.17 2kb0 n PRO 34 N -1.38 2.08 0.17 4.82 -0.04 -1.26 -4.89 135.00 134.51 2kb0 n PRO 34 Ca 0.12 0.73 0.04 0.00 -0.04 0.00 0.00 63.50 64.36 2kb0 n PRO 34 Cb 0.48 -2.39 0.44 0.00 -0.04 0.00 0.00 33.50 31.99 2kb0 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb0 h ALA 35 N 2.34 1.60 -2.75 0.55 0.00 -2.05 -3.43 119.26 115.51 2kb0 h ALA 35 Ca -0.47 -0.19 -0.42 0.00 0.00 0.00 0.00 54.91 53.82 2kb0 h ALA 35 Cb 1.28 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 2kb0 h ALA 35 CO 0.61 0.30 -0.75 0.14 0.00 0.00 0.00 179.25 179.55 2kb0 s VAL 36 N -4.66 1.42 -0.31 0.00 -7.23 -1.26 -5.03 120.40 103.33 2kb0 s VAL 36 Ca -0.05 -1.83 0.10 0.00 -1.81 0.00 0.00 61.98 58.39 2kb0 s VAL 36 Cb 0.16 -1.66 0.62 0.00 0.56 0.00 0.00 36.38 36.05 2kb0 s VAL 36 CO 0.71 -0.46 1.64 0.49 -0.31 0.00 0.00 175.10 177.18 2kb0 n PHE 37 N 0.33 1.84 -1.80 2.82 3.72 -1.26 -5.01 117.46 118.09 2kb0 n PHE 37 Ca -0.14 -1.36 -0.39 0.00 -0.05 0.00 0.00 57.45 55.51 2kb0 n PHE 37 Cb 0.58 -0.60 0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2kb0 n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kb0 s ASP 38 N -1.72 5.74 0.55 4.37 1.01 -1.26 -4.97 116.67 120.39 2kb0 s ASP 38 Ca 0.50 2.88 -0.18 0.00 0.71 0.00 0.00 52.55 56.46 2kb0 s ASP 38 Cb 0.42 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.64 2kb0 s ASP 38 CO 0.08 -1.27 1.06 0.21 0.21 0.00 0.00 175.17 175.46 2kb0 s ASN 39 N -0.62 6.00 0.05 0.27 2.47 -1.26 -5.06 114.94 116.79 2kb0 s ASN 39 Ca 0.63 1.89 0.06 0.00 0.42 0.00 0.00 52.86 55.87 2kb0 s ASN 39 Cb -0.43 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 36.80 2kb0 s ASN 39 CO 0.54 -1.02 -0.17 -0.31 -3.72 0.00 0.00 177.10 172.42 2kb0 s TYR 40 N -2.21 1.47 -0.12 0.43 2.02 -1.26 -5.10 117.35 112.58 2kb0 s TYR 40 Ca 0.66 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.95 2kb0 s TYR 40 Cb -0.17 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2kb0 s TYR 40 CO 0.29 0.08 -0.01 0.00 -1.57 0.00 0.00 175.55 174.34 2kb0 s ALA 41 N -0.92 3.18 0.08 3.71 0.00 -1.26 -3.95 121.76 122.60 2kb0 s ALA 41 Ca 0.04 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2kb0 s ALA 41 Cb -0.09 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2kb0 s ALA 41 CO 0.02 0.40 -0.12 0.14 0.00 0.00 0.00 175.76 176.19 2kb0 s VAL 42 N -0.25 1.00 0.03 0.00 -7.23 -0.43 -4.98 120.40 108.53 2kb0 s VAL 42 Ca 0.05 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 2kb0 s VAL 42 Cb -0.12 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2kb0 s VAL 42 CO 0.02 -0.37 -0.23 0.42 -0.31 0.00 0.00 175.10 174.63 2kb0 s THR 43 N -1.74 2.41 -0.03 5.32 -4.23 -1.26 0.42 115.64 116.53 2kb0 s THR 43 Ca 0.00 -1.25 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 2kb0 s THR 43 Cb -0.07 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2kb0 s THR 43 CO 0.01 0.40 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.55 2kb0 s VAL 44 N -0.82 2.15 -0.06 2.29 1.01 -1.06 -4.95 120.40 118.96 2kb0 s VAL 44 Ca 0.12 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2kb0 s VAL 44 Cb -0.10 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2kb0 s VAL 44 CO 0.03 0.58 1.03 -0.04 0.00 0.00 0.00 175.10 176.70 2kb0 s MET 45 N -0.49 4.45 -0.07 2.72 -1.94 -1.26 -2.41 119.30 120.30 2kb0 s MET 45 Ca 0.06 1.46 0.01 0.00 -1.71 0.00 0.00 55.69 55.51 2kb0 s MET 45 Cb -0.11 -3.51 0.02 0.00 2.01 0.00 0.00 34.83 33.24 2kb0 s MET 45 CO 0.00 -0.26 -0.07 0.42 -0.01 0.00 0.00 175.02 175.11 2kb0 s ILE 46 N 1.72 0.82 -0.39 2.53 1.01 -1.24 -4.76 121.20 120.89 2kb0 s ILE 46 Ca 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2kb0 s ILE 46 Cb -0.20 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2kb0 s ILE 46 CO 0.22 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2kb0 n GLY 47 N 4.33 0.35 1.12 6.18 0.00 -1.26 0.34 105.19 116.25 2kb0 n GLY 47 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 0.70 2.83 -0.02 0.00 -1.26 -5.00 105.19 102.38 2kb0 n GLY 48 Ca -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.64 2.13 0.01 1.61 0.41 1.05 -5.08 118.70 118.19 2kb0 s GLU 49 Ca 0.00 -3.03 -0.34 0.00 -0.41 0.00 0.00 54.97 51.19 2kb0 s GLU 49 Cb 0.00 -3.08 -0.13 0.00 -1.78 0.00 0.00 34.13 29.14 2kb0 s GLU 49 CO 0.00 -1.27 1.76 -2.30 -0.49 0.00 0.00 175.26 172.96 2kb0 n PRO 50 N 2.30 2.18 -4.80 0.39 -0.02 -1.26 -3.69 135.00 130.10 2kb0 n PRO 50 Ca 0.19 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 62.15 2kb0 n PRO 50 Cb 0.36 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 31.10 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 2.82 2.61 0.16 6.00 2.02 -1.01 -4.93 117.35 125.02 2kb0 s TYR 51 Ca 0.87 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 2kb0 s TYR 51 Cb -0.68 -1.54 -0.07 0.00 -0.40 0.00 0.00 41.96 39.27 2kb0 s TYR 51 CO 0.46 0.21 1.10 0.99 -1.57 0.00 0.00 175.55 176.74 2kb0 s THR 52 N -0.83 3.92 -0.12 -0.71 2.01 -1.26 -2.55 115.64 116.10 2kb0 s THR 52 Ca 0.13 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.77 2kb0 s THR 52 Cb -0.11 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.39 2kb0 s THR 52 CO 0.03 0.26 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.82 2kb0 s LEU 53 N -0.19 1.88 -0.10 4.42 2.96 0.17 -1.72 118.68 126.09 2kb0 s LEU 53 Ca 0.50 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2kb0 s LEU 53 Cb -0.29 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2kb0 s LEU 53 CO 0.34 0.04 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.41 2kb0 s GLY 54 N 0.93 1.47 -0.14 7.98 0.00 -1.25 -1.32 107.32 115.01 2kb0 s GLY 54 Ca -0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.67 2kb0 s GLY 54 CO -0.02 -0.37 0.05 1.08 0.00 0.00 0.00 173.10 173.84 2kb0 s LEU 55 N 0.10 3.79 0.21 0.66 1.43 -1.25 -3.56 118.68 120.06 2kb0 s LEU 55 Ca -0.08 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.30 2kb0 s LEU 55 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2kb0 s LEU 55 CO 0.05 0.29 -0.23 -0.36 0.23 0.00 0.00 176.35 176.33 2kb0 s PHE 56 N -0.32 2.29 0.35 0.29 0.08 -1.24 -4.58 117.98 114.85 2kb0 s PHE 56 Ca 0.08 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 2kb0 s PHE 56 Cb -0.12 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2kb0 s PHE 56 CO 0.02 0.55 0.53 0.16 -0.10 0.00 0.00 175.22 176.38 2kb0 s ASP 57 N -2.88 0.71 0.31 1.36 1.47 -1.26 -3.36 116.67 113.02 2kb0 s ASP 57 Ca 0.23 -1.40 -0.29 0.00 1.18 0.00 0.00 52.55 52.27 2kb0 s ASP 57 Cb -0.07 0.69 -0.10 0.00 -0.34 0.00 0.00 42.92 43.10 2kb0 s ASP 57 CO 0.11 -1.36 1.35 -0.89 0.68 0.00 0.00 175.17 175.06 2kb0 s THR 58 N -2.98 2.68 0.00 2.11 2.01 -1.26 -4.98 115.64 113.22 2kb0 s THR 58 Ca 0.28 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2kb0 s THR 58 Cb -0.01 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2kb0 s THR 58 CO 0.18 0.14 0.00 0.00 -0.69 0.00 0.00 174.62 174.25 2kb0 n ALA 59 N 1.19 0.00 -2.34 7.40 0.00 -1.26 -5.13 120.51 120.36 2kb0 n ALA 59 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 2kb0 n ALA 59 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.18 -0.16 1.68 0.00 0.00 -1.26 -3.94 105.19 101.34 2kb0 n GLY 60 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 2kb0 n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kb0 n GLN 61 N -3.18 -1.43 -1.51 1.61 7.27 -1.26 -4.66 117.38 114.22 2kb0 n GLN 61 Ca 0.16 0.22 -0.39 0.00 0.07 0.00 0.00 57.00 57.07 2kb0 n GLN 61 Cb 0.58 -3.90 -0.13 0.00 2.41 0.00 0.00 30.24 29.20 2kb0 n GLN 61 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2kb0 n GLU 62 N -0.76 0.24 -0.36 3.69 2.13 -1.25 -4.43 120.64 119.90 2kb0 n GLU 62 Ca -0.03 -0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.73 2kb0 n GLU 62 Cb 0.14 -1.95 -0.05 0.00 0.27 0.00 0.00 31.44 29.86 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 11.63 -0.40 0.00 4.31 8.00 -1.26 -3.66 116.55 135.16 2kb0 n ASP 63 Ca 0.59 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2kb0 n ASP 63 Cb 0.16 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.36 0.00 1.10 1.24 4.02 -1.26 -4.61 117.16 119.01 2kb0 n TYR 64 Ca 0.14 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.15 2kb0 n TYR 64 Cb 0.05 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.54 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2kb0 n ASP 65 N 0.00 1.32 -3.71 7.72 8.00 -1.24 -4.52 116.55 124.12 2kb0 n ASP 65 Ca 0.00 -1.05 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 2kb0 n ASP 65 Cb 0.00 0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 2kb0 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb0 n ARG 66 N -0.63 2.41 -0.24 -1.24 1.74 -1.26 -4.89 116.66 112.55 2kb0 n ARG 66 Ca 0.09 -4.58 -0.02 0.00 -0.77 0.00 0.00 57.85 52.58 2kb0 n ARG 66 Cb 0.39 -2.30 0.18 0.00 -1.02 0.00 0.00 32.46 29.71 2kb0 n ARG 66 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2kb0 h LEU 67 N 4.90 0.93 0.00 0.55 3.38 -1.98 -2.99 115.31 120.10 2kb0 h LEU 67 Ca 0.18 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2kb0 h LEU 67 Cb 0.71 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2kb0 h LEU 67 CO 0.83 0.74 -1.57 -1.14 0.09 0.00 0.00 178.44 177.39 2kb0 n ARG 68 N -4.36 0.24 0.00 1.13 0.63 -1.26 -4.57 116.66 108.46 2kb0 n ARG 68 Ca 0.08 0.07 0.01 0.00 -0.92 0.00 0.00 57.85 57.09 2kb0 n ARG 68 Cb 0.09 -1.09 0.05 0.00 0.45 0.00 0.00 32.46 31.96 2kb0 n ARG 68 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2kb0 n PRO 69 N -3.01 0.05 -0.33 -0.14 -0.02 -1.26 -3.24 135.00 127.06 2kb0 n PRO 69 Ca -0.18 0.11 0.15 0.00 -2.02 0.00 0.00 63.50 61.56 2kb0 n PRO 69 Cb 0.67 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 33.03 2kb0 n PRO 69 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kb0 h LEU 70 N 0.00 0.68 -9.08 2.45 5.85 -1.77 -3.18 115.31 110.27 2kb0 h LEU 70 Ca 0.00 0.08 -0.67 0.00 0.84 0.00 0.00 57.88 58.13 2kb0 h LEU 70 Cb 0.01 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 40.81 2kb0 h LEU 70 CO 0.00 0.25 -0.67 -0.55 -0.34 0.00 0.00 178.44 177.13 2kb0 s SER 71 N -5.47 4.82 -1.14 1.25 0.15 -1.20 -4.61 113.70 107.50 2kb0 s SER 71 Ca -0.10 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.38 2kb0 s SER 71 Cb 0.24 -1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 63.13 2kb0 s SER 71 CO 0.80 0.31 0.80 -1.22 1.20 0.00 0.00 173.24 175.13 2kb0 n TYR 72 N 2.55 -2.01 -1.76 3.44 4.01 -1.26 -4.86 117.16 117.27 2kb0 n TYR 72 Ca -0.18 0.57 -0.41 0.00 -0.16 0.00 0.00 57.90 57.73 2kb0 n TYR 72 Cb 0.53 -3.67 0.01 0.00 -0.31 0.00 0.00 39.34 35.90 2kb0 n TYR 72 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kb0 n PRO 73 N -4.01 2.39 -4.50 -0.72 -0.04 -1.20 -4.94 135.00 121.98 2kb0 n PRO 73 Ca -0.11 0.84 -0.21 0.00 -0.04 0.00 0.00 63.50 63.98 2kb0 n PRO 73 Cb 0.61 -2.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.32 2kb0 n PRO 73 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kb0 s GLN 74 N -2.23 1.03 0.12 0.54 -0.21 -1.26 -5.11 119.66 112.54 2kb0 s GLN 74 Ca 0.57 -0.39 0.09 0.00 0.02 0.00 0.00 55.36 55.65 2kb0 s GLN 74 Cb -0.48 -0.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 2kb0 s GLN 74 CO 0.61 0.20 -0.21 0.95 -2.12 0.00 0.00 175.29 174.71 2kb0 s THR 75 N -0.06 1.84 0.28 -0.19 -4.23 -1.26 -5.03 115.64 106.99 2kb0 s THR 75 Ca 0.01 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.85 2kb0 s THR 75 Cb -0.07 -1.70 0.11 0.00 1.34 0.00 0.00 72.50 72.18 2kb0 s THR 75 CO 0.00 -0.10 1.77 0.44 -0.54 0.00 0.00 174.62 176.20 2kb0 h ASP 76 N 3.83 0.60 -3.60 3.99 3.32 -1.96 -3.43 116.42 119.18 2kb0 h ASP 76 Ca -0.46 -0.16 -0.31 0.00 0.02 0.00 0.00 57.03 56.13 2kb0 h ASP 76 Cb 1.19 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.25 2kb0 h ASP 76 CO 0.42 0.73 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.25 2kb0 s VAL 77 N -4.82 0.11 -0.20 -1.35 1.01 -1.24 -5.03 120.40 108.89 2kb0 s VAL 77 Ca -0.08 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 2kb0 s VAL 77 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 2kb0 s VAL 77 CO 0.79 0.10 0.08 -0.36 0.00 0.00 0.00 175.10 175.71 2kb0 s PHE 78 N 0.67 3.26 -0.12 5.22 0.08 -1.25 -3.88 117.98 121.97 2kb0 s PHE 78 Ca -0.06 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.07 2kb0 s PHE 78 Cb -0.09 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2kb0 s PHE 78 CO -0.01 0.12 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.94 2kb0 s LEU 79 N 0.55 2.79 -0.07 -0.37 2.96 -1.20 -2.35 118.68 120.99 2kb0 s LEU 79 Ca 0.04 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2kb0 s LEU 79 Cb -0.13 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2kb0 s LEU 79 CO 0.01 0.20 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.36 2kb0 s VAL 80 N 0.12 2.54 -0.08 1.68 1.01 -0.66 -2.20 120.40 122.83 2kb0 s VAL 80 Ca -0.06 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kb0 s VAL 80 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 2kb0 s VAL 80 CO 0.04 0.57 -0.08 0.00 0.00 0.00 0.00 175.10 175.63 2kb0 s PHE 82 N 1.12 0.83 0.02 0.00 -0.71 -1.25 -3.86 117.98 114.13 2kb0 s PHE 82 Ca -0.07 -1.13 0.02 0.00 -1.04 0.00 0.00 56.93 54.72 2kb0 s PHE 82 Cb -0.14 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 2kb0 s PHE 82 CO -0.01 -0.70 0.00 -1.12 -1.34 0.00 0.00 175.22 172.05 2kb0 s SER 83 N -3.08 5.11 -0.09 1.98 0.01 -1.26 -3.48 113.70 112.89 2kb0 s SER 83 Ca 0.30 -0.04 0.17 0.00 1.31 0.00 0.00 55.95 57.68 2kb0 s SER 83 Cb 0.05 -1.31 0.61 0.00 0.21 0.00 0.00 66.02 65.58 2kb0 s SER 83 CO 0.08 0.26 1.52 0.55 0.41 0.00 0.00 173.24 176.06 2kb0 n VAL 84 N 1.20 1.63 0.20 3.43 3.14 -1.25 -4.31 118.33 122.36 2kb0 n VAL 84 Ca -0.14 -1.22 0.09 0.00 -2.96 0.00 0.00 64.34 60.11 2kb0 n VAL 84 Cb 0.52 0.20 0.14 0.00 -1.06 0.00 0.00 33.84 33.64 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 3.44 0.26 -3.97 1.55 2.07 -1.91 -3.33 116.25 114.36 2kb0 h VAL 85 Ca 0.00 -1.36 -0.24 0.00 0.82 0.00 0.00 66.70 65.93 2kb0 h VAL 85 Cb 1.26 2.12 -0.21 0.00 -1.52 0.00 0.00 31.29 32.94 2kb0 h VAL 85 CO 0.16 0.15 -0.72 -0.44 0.02 0.00 0.00 177.57 176.74 2kb0 s SER 86 N -6.28 0.64 0.16 0.57 0.01 -1.26 -4.80 113.70 102.75 2kb0 s SER 86 Ca 0.06 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2kb0 s SER 86 Cb 0.06 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 2kb0 s SER 86 CO 0.69 -0.25 1.37 1.55 0.41 0.00 0.00 173.24 177.01 2kb0 h PRO 87 N 4.51 0.23 -0.64 12.44 0.13 -1.90 -3.27 132.00 143.49 2kb0 h PRO 87 Ca -0.34 -0.25 0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2kb0 h PRO 87 Cb 1.20 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 2kb0 h PRO 87 CO 0.41 0.97 0.32 1.03 -0.23 0.00 0.00 178.00 180.50 2kb0 h SER 88 N 0.13 0.43 0.49 1.44 0.87 -1.96 0.28 113.55 115.23 2kb0 h SER 88 Ca -0.05 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2kb0 h SER 88 Cb 1.51 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2kb0 h SER 88 CO 0.14 0.27 -0.15 0.28 -0.53 0.00 0.00 176.83 176.84 2kb0 h SER 89 N 0.58 0.00 0.04 6.23 0.02 -1.88 0.12 113.55 118.66 2kb0 h SER 89 Ca 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2kb0 h SER 89 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2kb0 h SER 89 CO -0.23 0.15 -0.02 0.15 -1.14 0.00 0.00 176.83 175.74 2kb0 h PHE 90 N 0.00 -0.05 -0.28 3.45 3.57 -0.58 -3.01 116.94 120.04 2kb0 h PHE 90 Ca -0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2kb0 h PHE 90 Cb 0.43 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2kb0 h PHE 90 CO 0.00 0.56 -0.57 1.49 -2.23 0.00 0.00 178.31 177.56 2kb0 h GLU 91 N -0.73 0.88 -0.80 1.11 4.81 -0.93 -3.03 114.58 115.88 2kb0 h GLU 91 Ca -0.01 -0.57 0.14 0.00 -0.13 0.00 0.00 59.36 58.80 2kb0 h GLU 91 Cb 0.63 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 2kb0 h GLU 91 CO 0.01 1.20 0.53 -0.97 -0.73 0.00 0.00 179.01 179.05 2kb0 h ASN 92 N 0.66 0.49 -0.51 1.04 -1.24 -0.86 0.16 115.58 115.32 2kb0 h ASN 92 Ca 0.01 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.07 2kb0 h ASN 92 Cb 1.19 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 2kb0 h ASN 92 CO 0.13 0.25 0.34 0.58 -1.29 0.00 0.00 177.43 177.44 2kb0 h VAL 93 N 0.52 1.07 0.00 2.57 2.07 -1.39 -1.58 116.25 119.50 2kb0 h VAL 93 Ca 0.39 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.64 2kb0 h VAL 93 Cb 0.79 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2kb0 h VAL 93 CO -0.15 0.11 -0.91 0.50 0.02 0.00 0.00 177.57 177.14 2kb0 h LYS 94 N 0.59 0.00 -0.00 1.57 3.64 -0.83 -2.76 116.57 118.78 2kb0 h LYS 94 Ca 0.20 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 2kb0 h LYS 94 Cb 0.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2kb0 h LYS 94 CO -0.05 0.19 -0.79 0.93 -2.27 0.00 0.00 179.45 177.46 2kb0 h GLU 95 N 0.00 0.05 0.00 1.90 5.08 -0.27 -3.29 114.58 118.04 2kb0 h GLU 95 Ca -0.06 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2kb0 h GLU 95 Cb 1.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2kb0 h GLU 95 CO 0.03 0.81 -1.57 1.17 -1.00 0.00 0.00 179.01 178.44 2kb0 n LYS 96 N -3.64 0.23 -0.00 2.33 4.81 -0.89 -4.57 118.16 116.42 2kb0 n LYS 96 Ca -0.01 0.09 0.14 0.00 -0.87 0.00 0.00 58.31 57.65 2kb0 n LYS 96 Cb 0.75 -0.95 0.79 0.00 0.02 0.00 0.00 35.03 35.64 2kb0 n LYS 96 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 2kb0 n TRP 97 N -3.29 0.01 -0.08 5.64 7.02 -1.04 -3.04 117.44 122.65 2kb0 n TRP 97 Ca -0.20 -0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.16 2kb0 n TRP 97 Cb 0.66 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.47 2kb0 n TRP 97 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2kb0 n VAL 98 N -0.84 0.92 -0.09 -0.99 0.31 -1.24 -4.50 118.33 111.90 2kb0 n VAL 98 Ca 0.21 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 2kb0 n VAL 98 Cb 0.12 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.79 2kb0 n VAL 98 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2kb0 h PRO 99 N -0.11 0.00 -0.80 5.55 0.13 -1.73 -3.33 132.00 131.71 2kb0 h PRO 99 Ca -0.37 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.84 2kb0 h PRO 99 Cb 1.52 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.60 2kb0 h PRO 99 CO -0.09 0.62 0.52 0.93 -0.23 0.00 0.00 178.00 179.75 2kb0 h GLU 100 N -1.00 0.80 0.00 0.86 4.39 -1.81 -0.49 114.58 117.34 2kb0 h GLU 100 Ca -0.19 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 2kb0 h GLU 100 Cb 0.95 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2kb0 h GLU 100 CO -0.12 0.53 -0.29 0.97 -1.16 0.00 0.00 179.01 178.95 2kb0 h ILE 101 N 0.83 1.15 -0.47 3.13 6.09 -1.75 -2.89 117.51 123.60 2kb0 h ILE 101 Ca 0.35 -1.01 0.00 0.00 -1.37 0.00 0.00 64.86 62.84 2kb0 h ILE 101 Cb 0.31 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 39.12 2kb0 h ILE 101 CO -0.13 0.28 0.31 0.74 -3.07 0.00 0.00 178.15 176.29 2kb0 h THR 102 N 0.00 1.12 -0.47 2.19 2.02 -1.19 -1.88 112.91 114.69 2kb0 h THR 102 Ca -0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2kb0 h THR 102 Cb 0.53 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2kb0 h THR 102 CO 0.04 0.12 0.25 0.45 0.37 0.00 0.00 175.52 176.74 2kb0 h HIS 103 N 0.64 0.64 -0.67 3.16 3.86 -1.51 -2.21 115.15 119.06 2kb0 h HIS 103 Ca 0.17 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2kb0 h HIS 103 Cb -0.07 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 2kb0 h HIS 103 CO -0.04 0.46 0.19 1.25 0.86 0.00 0.00 177.93 180.64 2kb0 h HIS 104 N 0.66 1.10 0.00 2.45 6.17 -1.33 -3.48 115.15 120.72 2kb0 h HIS 104 Ca 0.17 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 61.13 2kb0 h HIS 104 Cb 0.04 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.65 2kb0 h HIS 104 CO 0.00 0.90 0.00 0.00 0.71 0.00 0.00 177.93 179.54 2kb0 n PRO 106 N -0.41 -0.51 -2.19 0.00 -0.02 -1.26 -4.33 135.00 126.28 2kb0 n PRO 106 Ca 0.00 -0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 60.93 2kb0 n PRO 106 Cb 0.00 -1.18 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 2kb0 n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kb0 s LYS 107 N -2.41 4.31 0.23 -0.52 1.02 -1.26 -4.92 119.74 116.20 2kb0 s LYS 107 Ca 0.36 2.09 0.09 0.00 0.02 0.00 0.00 55.97 58.53 2kb0 s LYS 107 Cb 0.04 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2kb0 s LYS 107 CO 0.56 -0.18 -0.15 0.95 -0.92 0.00 0.00 175.35 175.61 2kb0 s THR 108 N -1.19 1.91 -0.08 2.17 -4.23 -1.26 -5.08 115.64 107.87 2kb0 s THR 108 Ca 0.50 -2.25 -0.36 0.00 -1.18 0.00 0.00 61.69 58.40 2kb0 s THR 108 Cb -0.37 -2.13 -0.13 0.00 1.34 0.00 0.00 72.50 71.21 2kb0 s THR 108 CO 0.49 -0.53 1.75 -0.81 -0.54 0.00 0.00 174.62 174.98 2kb0 n PRO 109 N -0.45 1.84 -4.36 3.99 -0.04 -1.26 -4.92 135.00 129.79 2kb0 n PRO 109 Ca -0.07 0.67 -0.26 0.00 -0.04 0.00 0.00 63.50 63.80 2kb0 n PRO 109 Cb 0.60 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.12 2.02 -0.22 0.54 0.08 -1.26 -3.77 117.98 118.49 2kb0 s PHE 110 Ca 0.91 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.53 2kb0 s PHE 110 Cb -0.80 -1.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2kb0 s PHE 110 CO 0.52 0.25 -0.06 -0.51 -0.10 0.00 0.00 175.22 175.32 2kb0 s LEU 111 N -1.91 2.79 -0.40 -0.37 1.43 -0.99 -2.68 118.68 116.56 2kb0 s LEU 111 Ca 0.10 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 2kb0 s LEU 111 Cb -0.10 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2kb0 s LEU 111 CO 0.05 -0.02 0.41 -0.76 0.23 0.00 0.00 176.35 176.26 2kb0 s LEU 112 N 1.45 4.76 -0.12 1.79 2.01 -1.03 -1.65 118.68 125.90 2kb0 s LEU 112 Ca 0.06 -0.56 -0.02 0.00 0.01 0.00 0.00 54.13 53.61 2kb0 s LEU 112 Cb -0.14 -2.36 -0.03 0.00 0.01 0.00 0.00 46.19 43.67 2kb0 s LEU 112 CO -0.05 -0.50 -0.02 -0.69 1.01 0.00 0.00 176.35 176.10 2kb0 s VAL 113 N 2.07 4.05 -0.25 -1.59 1.01 -1.11 -1.33 120.40 123.24 2kb0 s VAL 113 Ca 0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2kb0 s VAL 113 Cb -0.17 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2kb0 s VAL 113 CO 0.13 0.55 0.16 -0.83 0.00 0.00 0.00 175.10 175.11 2kb0 s GLY 114 N -0.30 1.94 0.27 4.51 0.00 0.64 -3.79 107.32 110.59 2kb0 s GLY 114 Ca 0.06 -0.98 0.10 0.00 0.00 0.00 0.00 44.72 43.89 2kb0 s GLY 114 CO 0.02 0.49 -0.16 -0.51 0.00 0.00 0.00 173.10 172.94 2kb0 s THR 115 N 1.35 2.20 -0.00 0.90 -4.23 -1.23 -0.27 115.64 114.36 2kb0 s THR 115 Ca 0.07 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 2kb0 s THR 115 Cb -0.15 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2kb0 s THR 115 CO 0.07 -0.42 0.00 1.67 -0.54 0.00 0.00 174.62 175.40 2kb0 n GLN 116 N -0.57 -0.00 0.00 3.99 -0.06 -1.22 -3.95 117.38 115.56 2kb0 n GLN 116 Ca -0.06 0.42 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 2kb0 n GLN 116 Cb 0.61 -3.83 0.00 0.00 -4.06 0.00 0.00 30.24 22.96 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 2kb0 n ILE 117 N -3.00 0.00 0.00 1.69 -5.35 -1.25 -3.52 119.36 107.93 2kb0 n ILE 117 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kb0 n ILE 117 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 2kb0 n ILE 117 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kb0 n ASP 118 N -0.02 0.00 -0.16 7.28 2.03 -1.26 -3.87 116.55 120.55 2kb0 n ASP 118 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2kb0 n ASP 118 Cb 0.00 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 40.87 2kb0 n ASP 118 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2kb0 h LEU 119 N 0.00 0.45 -2.66 -2.67 5.85 -1.95 0.82 115.31 115.15 2kb0 h LEU 119 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kb0 h LEU 119 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2kb0 h LEU 119 CO 0.00 0.25 0.00 0.08 -0.34 0.00 0.00 178.44 178.43 2kb0 h ARG 120 N 0.49 0.00 0.00 1.25 0.11 -1.69 0.07 114.38 114.61 2kb0 h ARG 120 Ca 0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.43 2kb0 h ARG 120 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2kb0 h ARG 120 CO -0.12 0.00 -0.99 -3.47 0.10 0.00 0.00 179.97 175.49 2kb0 n ASP 121 N -3.04 0.83 -4.77 0.08 2.03 0.28 -4.81 116.55 107.15 2kb0 n ASP 121 Ca -0.02 0.30 -0.39 0.00 0.52 0.00 0.00 54.79 55.20 2kb0 n ASP 121 Cb 0.11 0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 2kb0 n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kb0 s ASP 122 N -5.26 7.01 0.31 1.67 1.11 0.01 -4.94 116.67 116.58 2kb0 s ASP 122 Ca -0.00 2.26 0.11 0.00 0.18 0.00 0.00 52.55 55.11 2kb0 s ASP 122 Cb 0.10 -2.62 0.50 0.00 1.07 0.00 0.00 42.92 41.98 2kb0 s ASP 122 CO 0.79 -0.33 1.70 1.55 1.18 0.00 0.00 175.17 180.06 2kb0 h PRO 123 N 3.32 0.00 -0.84 8.23 0.13 -1.90 -3.11 132.00 137.83 2kb0 h PRO 123 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2kb0 h PRO 123 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2kb0 h PRO 123 CO 0.65 0.52 0.54 0.77 -0.23 0.00 0.00 178.00 180.25 2kb0 h SER 124 N 0.00 0.88 -0.06 1.44 0.02 -1.92 0.40 113.55 114.31 2kb0 h SER 124 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2kb0 h SER 124 Cb 0.92 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2kb0 h SER 124 CO 0.07 0.59 -0.15 0.74 -1.14 0.00 0.00 176.83 176.94 2kb0 h THR 125 N 1.03 1.43 -0.82 -2.27 2.02 -1.82 -2.80 112.91 109.69 2kb0 h THR 125 Ca 0.35 -1.52 0.12 0.00 0.77 0.00 0.00 66.41 66.13 2kb0 h THR 125 Cb 0.05 2.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 2kb0 h THR 125 CO -0.13 0.42 0.53 0.40 0.37 0.00 0.00 175.52 177.11 2kb0 h ILE 126 N -0.31 0.88 -0.21 3.11 2.04 -1.38 -0.98 117.51 120.65 2kb0 h ILE 126 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2kb0 h ILE 126 Cb 0.76 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2kb0 h ILE 126 CO 0.03 0.12 0.05 -0.08 0.00 0.00 0.00 178.15 178.27 2kb0 h GLU 127 N 0.65 0.35 -0.84 2.37 4.81 -0.12 0.62 114.58 122.42 2kb0 h GLU 127 Ca 0.39 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2kb0 h GLU 127 Cb 0.62 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2kb0 h GLU 127 CO -0.16 0.48 0.55 0.87 -0.73 0.00 0.00 179.01 180.02 2kb0 h LYS 128 N 0.16 1.03 0.12 1.92 1.57 -0.95 -2.18 116.57 118.25 2kb0 h LYS 128 Ca 0.07 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2kb0 h LYS 128 Cb 0.29 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.38 2kb0 h LYS 128 CO 0.00 0.68 -1.22 -0.07 -0.57 0.00 0.00 179.45 178.28 2kb0 h LEU 129 N 1.06 0.52 -0.87 2.94 3.38 -1.02 -3.29 115.31 118.02 2kb0 h LEU 129 Ca 0.33 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.91 2kb0 h LEU 129 Cb -0.00 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.49 2kb0 h LEU 129 CO -0.09 1.38 0.49 0.00 0.09 0.00 0.00 178.44 180.31 2kb0 h ALA 130 N 0.55 1.30 -0.59 1.53 0.00 0.88 0.24 119.26 123.18 2kb0 h ALA 130 Ca -0.14 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kb0 h ALA 130 Cb 1.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2kb0 h ALA 130 CO 0.21 0.02 0.34 0.87 0.00 0.00 0.00 179.25 180.68 2kb0 h LYS 131 N 0.74 0.80 -0.20 0.00 1.57 -1.54 0.34 116.57 118.27 2kb0 h LYS 131 Ca 0.45 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2kb0 h LYS 131 Cb 0.55 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2kb0 h LYS 131 CO -0.31 0.58 0.00 0.09 -0.57 0.00 0.00 179.45 179.23 2kb0 n ASN 132 N -4.40 1.62 -2.86 0.86 3.02 0.57 -4.89 115.26 109.18 2kb0 n ASN 132 Ca 0.05 -1.76 -0.18 0.00 -0.03 0.00 0.00 54.58 52.66 2kb0 n ASN 132 Cb 0.09 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2kb0 n LYS 133 N 0.31 -3.07 -0.11 3.52 5.02 0.35 -4.84 118.16 119.33 2kb0 n LYS 133 Ca 0.15 0.64 -0.21 0.00 -2.02 0.00 0.00 58.31 56.87 2kb0 n LYS 133 Cb 0.31 -5.33 -0.08 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.36 0.56 -1.49 1.97 6.02 -0.80 -5.00 117.38 115.28 2kb0 n GLN 134 Ca -0.10 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2kb0 n GLN 134 Cb 0.59 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 -4.38 -4.10 -1.82 -1.09 5.02 -1.25 -4.86 118.16 105.67 2kb0 n LYS 135 Ca -0.36 3.12 -0.36 0.00 -2.02 0.00 0.00 58.31 58.69 2kb0 n LYS 135 Cb 0.69 -3.68 0.06 0.00 -0.02 0.00 0.00 35.03 32.07 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 -4.56 2.69 0.21 1.97 0.04 -1.26 -4.88 135.00 129.21 2kb0 s PRO 136 Ca 0.00 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 2kb0 s PRO 136 Cb 0.00 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2kb0 s PRO 136 CO 0.00 -1.45 0.60 0.42 0.04 0.00 0.00 177.00 176.62 2kb0 s ILE 137 N -1.59 4.81 0.46 0.56 1.01 -1.25 -5.07 121.20 120.13 2kb0 s ILE 137 Ca 0.79 0.82 -0.08 0.00 0.00 0.00 0.00 60.65 62.18 2kb0 s ILE 137 Cb -0.33 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2kb0 s ILE 137 CO 0.37 0.09 0.80 0.28 0.00 0.00 0.00 174.94 176.48 2kb0 s THR 138 N -1.64 4.84 0.49 2.92 -1.32 -1.26 -4.96 115.64 114.71 2kb0 s THR 138 Ca 0.43 0.43 0.18 0.00 -1.21 0.00 0.00 61.69 61.53 2kb0 s THR 138 Cb -0.14 -3.81 0.25 0.00 -1.51 0.00 0.00 72.50 67.30 2kb0 s THR 138 CO 0.20 -0.73 2.09 1.55 -2.21 0.00 0.00 174.62 175.52 2kb0 h PRO 139 N 0.63 0.00 -0.73 7.08 0.13 -2.00 -2.37 132.00 134.74 2kb0 h PRO 139 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kb0 h PRO 139 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2kb0 h PRO 139 CO 0.63 0.08 0.38 1.49 -0.23 0.00 0.00 178.00 180.35 2kb0 h GLU 140 N 0.00 1.02 -0.36 0.86 4.57 -1.99 0.26 114.58 118.95 2kb0 h GLU 140 Ca -0.00 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 2kb0 h GLU 140 Cb 0.16 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2kb0 h GLU 140 CO 0.01 0.77 -0.17 1.15 -1.18 0.00 0.00 179.01 179.59 2kb0 h THR 141 N 1.03 1.26 -0.10 0.32 2.02 -1.82 -2.60 112.91 113.02 2kb0 h THR 141 Ca 0.26 -1.20 -0.24 0.00 0.77 0.00 0.00 66.41 66.00 2kb0 h THR 141 Cb 0.06 1.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2kb0 h THR 141 CO -0.04 0.40 -0.88 0.00 0.37 0.00 0.00 175.52 175.37 2kb0 h ALA 142 N 1.23 0.24 -0.43 6.16 0.00 -1.30 -3.20 119.26 121.95 2kb0 h ALA 142 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kb0 h ALA 142 Cb 0.62 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2kb0 h ALA 142 CO 0.04 0.68 0.28 1.49 0.00 0.00 0.00 179.25 181.74 2kb0 h GLU 143 N 0.49 0.58 -0.57 0.00 4.81 -0.35 -1.90 114.58 117.64 2kb0 h GLU 143 Ca -0.08 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2kb0 h GLU 143 Cb 1.52 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.75 2kb0 h GLU 143 CO 0.18 0.39 0.12 -0.22 -0.73 0.00 0.00 179.01 178.75 2kb0 h LYS 144 N 0.59 0.89 -0.99 1.92 3.64 -1.46 0.34 116.57 121.51 2kb0 h LYS 144 Ca 0.16 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2kb0 h LYS 144 Cb -0.05 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 2kb0 h LYS 144 CO -0.03 0.81 0.64 1.25 -2.27 0.00 0.00 179.45 179.85 2kb0 h LEU 145 N 0.85 1.06 0.00 5.20 5.85 -1.39 -2.26 115.31 124.62 2kb0 h LEU 145 Ca 0.18 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 2kb0 h LEU 145 Cb 0.33 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2kb0 h LEU 145 CO 0.00 0.71 -0.88 0.00 -0.34 0.00 0.00 178.44 177.93 2kb0 h ALA 146 N 1.42 0.17 0.00 1.25 0.00 -1.45 -3.16 119.26 117.48 2kb0 h ALA 146 Ca 0.40 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kb0 h ALA 146 Cb 0.06 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kb0 h ALA 146 CO -0.14 0.53 0.17 -2.13 0.00 0.00 0.00 179.25 177.68 2kb0 n ARG 147 N -4.51 0.00 -0.00 0.00 0.63 0.12 0.89 116.66 113.79 2kb0 n ARG 147 Ca -0.23 0.22 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 2kb0 n ARG 147 Cb 0.55 -1.67 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kb0 n ASP 148 N -1.18 1.86 -1.69 6.15 8.00 -0.85 -4.57 116.55 124.27 2kb0 n ASP 148 Ca 0.00 -0.30 -0.14 0.00 0.71 0.00 0.00 54.79 55.07 2kb0 n ASP 148 Cb 0.17 1.25 0.20 0.00 -0.02 0.00 0.00 41.12 42.71 2kb0 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb0 n LEU 149 N -1.57 5.43 -2.48 0.64 4.77 0.26 -4.91 117.00 119.14 2kb0 n LEU 149 Ca -0.00 -3.68 -0.20 0.00 -0.03 0.00 0.00 56.01 52.10 2kb0 n LEU 149 Cb 0.20 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2kb0 n LEU 149 CO 0.19 1.14 -0.22 0.29 -1.33 0.00 0.00 177.39 177.46 2kb0 n LYS 150 N -1.09 -2.10 -2.35 3.23 5.02 -1.15 -4.94 118.16 114.79 2kb0 n LYS 150 Ca 0.46 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.31 2kb0 n LYS 150 Cb 1.35 -5.61 -0.02 0.00 -0.02 0.00 0.00 35.03 30.73 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 -2.99 3.10 0.05 7.82 0.00 -1.06 -4.66 121.76 124.02 2kb0 s ALA 151 Ca 0.03 0.90 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 2kb0 s ALA 151 Cb -0.02 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.58 2kb0 s ALA 151 CO 0.04 -0.48 1.51 0.28 0.00 0.00 0.00 175.76 177.12 2kb0 h VAL 152 N 2.21 0.88 -2.13 0.00 2.07 -1.86 -3.45 116.25 113.98 2kb0 h VAL 152 Ca -0.49 -0.35 0.30 0.00 0.82 0.00 0.00 66.70 66.98 2kb0 h VAL 152 Cb 1.23 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 2kb0 h VAL 152 CO 0.62 0.08 0.81 2.29 0.02 0.00 0.00 177.57 181.39 2kb0 n LYS 153 N -5.12 0.22 -4.07 1.57 2.85 -1.25 -5.08 118.16 107.27 2kb0 n LYS 153 Ca -0.09 -0.79 -0.10 0.00 -1.05 0.00 0.00 58.31 56.28 2kb0 n LYS 153 Cb 0.18 1.26 -0.11 0.00 -0.65 0.00 0.00 35.03 35.72 2kb0 n LYS 153 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2kb0 s TYR 154 N -2.13 0.58 0.03 5.58 1.13 -1.26 -2.47 117.35 118.80 2kb0 s TYR 154 Ca 0.27 -0.70 0.01 0.00 -1.41 0.00 0.00 57.07 55.24 2kb0 s TYR 154 Cb -0.01 -0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 2kb0 s TYR 154 CO 0.00 -0.18 -0.06 0.14 -2.51 0.00 0.00 175.55 172.94 2kb0 s VAL 155 N -2.35 0.38 -0.11 -3.49 -7.23 -0.44 -4.96 120.40 102.19 2kb0 s VAL 155 Ca -0.04 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2kb0 s VAL 155 Cb -0.03 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 2kb0 s VAL 155 CO -0.03 -0.34 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.75 2kb0 s GLU 156 N -1.30 3.22 0.02 4.82 2.02 -1.26 -0.26 118.70 125.95 2kb0 s GLU 156 Ca -0.10 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 2kb0 s GLU 156 Cb -0.09 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 2kb0 s GLU 156 CO -0.00 0.44 0.01 0.00 0.02 0.00 0.00 175.26 175.72 2kb0 s SER 158 N -1.41 5.04 0.13 0.00 0.15 -1.23 -3.43 113.70 112.95 2kb0 s SER 158 Ca -0.15 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 55.17 2kb0 s SER 158 Cb -0.09 -1.77 -0.08 0.00 -1.71 0.00 0.00 66.02 62.37 2kb0 s SER 158 CO -0.00 -0.29 1.32 0.00 1.20 0.00 0.00 173.24 175.46 2kb0 h ALA 159 N 8.07 0.39 -0.43 5.45 0.00 -1.92 0.15 119.26 130.97 2kb0 h ALA 159 Ca -0.21 -0.67 0.12 0.00 0.00 0.00 0.00 54.91 54.15 2kb0 h ALA 159 Cb 1.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2kb0 h ALA 159 CO 0.56 0.78 0.40 -0.07 0.00 0.00 0.00 179.25 180.92 2kb0 h LEU 160 N 0.29 0.00 -9.45 0.00 3.38 -1.93 -3.41 115.31 104.19 2kb0 h LEU 160 Ca -0.07 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.35 2kb0 h LEU 160 Cb 1.51 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.12 2kb0 h LEU 160 CO 0.16 0.00 -0.60 0.42 0.09 0.00 0.00 178.44 178.51 2kb0 s THR 161 N -4.73 1.58 -1.80 0.22 -4.23 -1.13 -5.00 115.64 100.55 2kb0 s THR 161 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2kb0 s THR 161 Cb 0.17 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2kb0 s THR 161 CO 0.60 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 175.42 2kb0 n GLN 162 N -0.84 0.82 -0.00 3.99 1.13 -1.26 -3.15 117.38 118.07 2kb0 n GLN 162 Ca -0.04 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.16 2kb0 n GLN 162 Cb 0.67 -1.08 0.55 0.00 0.11 0.00 0.00 30.24 30.48 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kb0 n LYS 163 N -0.38 1.63 -0.10 -1.09 5.02 -1.24 -3.63 118.16 118.37 2kb0 n LYS 163 Ca 0.00 -0.92 -0.21 0.00 -2.02 0.00 0.00 58.31 55.17 2kb0 n LYS 163 Cb 0.04 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.17 -0.82 0.25 0.72 0.00 0.50 -3.57 105.19 103.44 2kb0 n GLY 164 Ca 0.19 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.90 -1.44 0.99 4.07 -1.79 -1.82 115.31 115.22 2kb0 h LEU 165 Ca -0.34 -0.42 0.02 0.00 0.08 0.00 0.00 57.88 57.21 2kb0 h LEU 165 Cb 1.25 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.71 2kb0 h LEU 165 CO -0.21 1.13 0.39 0.11 -1.08 0.00 0.00 178.44 178.78 2kb0 h LYS 166 N 0.68 0.73 0.00 1.13 1.57 -1.77 0.20 116.57 119.11 2kb0 h LYS 166 Ca 0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2kb0 h LYS 166 Cb 0.81 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2kb0 h LYS 166 CO 0.07 0.48 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.45 2kb0 h ASN 167 N 0.75 0.06 0.39 0.86 -0.26 -1.61 -3.20 115.58 112.57 2kb0 h ASN 167 Ca 0.22 -0.84 0.00 0.00 -0.56 0.00 0.00 56.30 55.12 2kb0 h ASN 167 Cb -0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2kb0 h ASN 167 CO -0.05 0.89 0.00 0.52 -1.06 0.00 0.00 177.43 177.73 2kb0 n VAL 168 N -4.63 1.08 -0.02 2.81 0.31 -0.69 -2.99 118.33 114.19 2kb0 n VAL 168 Ca -0.10 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.35 2kb0 n VAL 168 Cb 0.44 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.21 2kb0 n VAL 168 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2kb0 h PHE 169 N 0.00 0.41 -0.06 3.52 3.57 -0.61 -1.98 116.94 121.79 2kb0 h PHE 169 Ca 0.00 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2kb0 h PHE 169 Cb 0.20 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2kb0 h PHE 169 CO 0.00 0.96 0.03 -0.44 -2.23 0.00 0.00 178.31 176.63 2kb0 h ASP 170 N -0.26 0.08 0.05 0.41 3.32 -1.64 -2.52 116.42 115.86 2kb0 h ASP 170 Ca -0.03 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 2kb0 h ASP 170 Cb 1.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2kb0 h ASP 170 CO 0.07 0.14 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.88 2kb0 h GLU 171 N 0.01 0.52 -0.95 3.56 3.07 -1.68 -3.09 114.58 116.01 2kb0 h GLU 171 Ca 0.02 -0.31 0.04 0.00 -0.50 0.00 0.00 59.36 58.61 2kb0 h GLU 171 Cb 0.08 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 2kb0 h GLU 171 CO -0.00 0.90 0.62 0.00 -1.40 0.00 0.00 179.01 179.13 2kb0 h ALA 172 N 1.04 1.39 -0.69 3.43 0.00 -1.21 -1.83 119.26 121.40 2kb0 h ALA 172 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kb0 h ALA 172 Cb 1.03 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kb0 h ALA 172 CO 0.09 0.52 0.23 0.82 0.00 0.00 0.00 179.25 180.91 2kb0 h ILE 173 N 1.20 1.25 -0.71 0.00 2.04 -1.37 -2.68 117.51 117.24 2kb0 h ILE 173 Ca 0.38 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.48 2kb0 h ILE 173 Cb 0.01 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2kb0 h ILE 173 CO -0.12 0.32 0.39 0.25 0.00 0.00 0.00 178.15 179.00 2kb0 h LEU 174 N 1.01 0.58 -1.11 1.44 5.85 -1.34 -1.27 115.31 120.47 2kb0 h LEU 174 Ca 0.23 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2kb0 h LEU 174 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2kb0 h LEU 174 CO -0.01 0.36 0.11 0.00 -0.34 0.00 0.00 178.44 178.57 2kb0 h ALA 175 N 1.37 1.28 -0.94 1.25 0.00 -1.35 -2.43 119.26 118.44 2kb0 h ALA 175 Ca 0.32 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.21 2kb0 h ALA 175 Cb 0.22 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2kb0 h ALA 175 CO -0.20 0.50 0.60 0.00 0.00 0.00 0.00 179.25 180.15 2kb0 h ALA 176 N 1.41 1.85 -0.57 0.00 0.00 -1.03 0.31 119.26 121.23 2kb0 h ALA 176 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2kb0 h ALA 176 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kb0 h ALA 176 CO -0.00 -0.14 0.25 -0.07 0.00 0.00 0.00 179.25 179.29 2kb0 h LEU 177 N 0.68 0.74 -0.50 0.00 3.38 -1.37 -3.48 115.31 114.75 2kb0 h LEU 177 Ca 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2kb0 h LEU 177 Cb 0.86 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kb0 h LEU 177 CO -0.26 0.65 0.00 1.21 0.09 0.00 0.00 178.44 180.13