#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 n GLN 2 N 0.00 -4.74 -4.37 0.03 6.02 -1.26 -4.96 117.38 108.10 2kb0 n GLN 2 Ca 0.00 3.54 -0.20 0.00 -0.01 0.00 0.00 57.00 60.33 2kb0 n GLN 2 Cb 0.00 -5.08 -0.10 0.00 1.02 0.00 0.00 30.24 26.08 2kb0 n GLN 2 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2kb0 s THR 3 N -0.66 1.93 -0.19 5.09 -4.23 -1.26 -4.67 115.64 111.65 2kb0 s THR 3 Ca -0.26 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.05 2kb0 s THR 3 Cb 0.02 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2kb0 s THR 3 CO 0.71 -0.49 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.49 2kb0 s ILE 4 N -2.67 2.21 -0.11 2.99 1.01 -1.25 -5.10 121.20 118.28 2kb0 s ILE 4 Ca 0.23 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 2kb0 s ILE 4 Cb -0.03 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 2kb0 s ILE 4 CO 0.09 0.48 0.37 -0.54 0.00 0.00 0.00 174.94 175.34 2kb0 s LYS 5 N 1.29 4.17 -0.05 2.79 1.02 -1.26 -3.48 119.74 124.23 2kb0 s LYS 5 Ca 0.04 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2kb0 s LYS 5 Cb -0.14 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2kb0 s LYS 5 CO -0.11 0.34 -0.01 0.00 -0.92 0.00 0.00 175.35 174.64 2kb0 s VAL 7 N 1.29 2.94 -0.03 0.00 1.01 -1.25 -1.59 120.40 122.76 2kb0 s VAL 7 Ca -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2kb0 s VAL 7 Cb -0.13 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2kb0 s VAL 7 CO -0.02 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.72 2kb0 s VAL 8 N -0.33 1.91 -0.03 2.92 1.01 -1.03 -2.75 120.40 122.09 2kb0 s VAL 8 Ca 0.03 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2kb0 s VAL 8 Cb -0.13 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2kb0 s VAL 8 CO 0.02 0.54 0.15 0.54 0.00 0.00 0.00 175.10 176.35 2kb0 s VAL 9 N -0.39 0.04 0.06 2.92 0.11 -1.24 -4.56 120.40 117.34 2kb0 s VAL 9 Ca 0.04 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2kb0 s VAL 9 Cb -0.11 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2kb0 s VAL 9 CO 0.01 -0.18 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.71 2kb0 s GLY 10 N -0.61 0.54 -0.53 6.54 0.00 -1.26 -3.60 107.32 108.41 2kb0 s GLY 10 Ca -0.07 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.39 2kb0 s GLY 10 CO 0.01 -1.12 0.81 -0.35 0.00 0.00 0.00 173.10 172.45 2kb0 s ASP 11 N -2.36 6.30 -0.87 1.64 2.15 -1.26 -4.50 116.67 117.77 2kb0 s ASP 11 Ca 0.00 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.38 2kb0 s ASP 11 Cb -0.01 -2.38 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2kb0 s ASP 11 CO -0.04 -1.08 0.60 0.61 -0.17 0.00 0.00 175.17 175.09 2kb0 n GLY 12 N 5.13 -1.24 3.72 2.66 0.00 -1.26 -4.85 105.19 109.35 2kb0 n GLY 12 Ca -0.02 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 s ALA 13 N -3.05 3.24 0.13 4.61 0.00 -1.26 -4.95 121.76 120.49 2kb0 s ALA 13 Ca 0.06 0.41 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2kb0 s ALA 13 Cb -0.03 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 2kb0 s ALA 13 CO 0.90 -0.14 1.71 0.28 0.00 0.00 0.00 175.76 178.51 2kb0 h VAL 14 N 4.62 1.16 -1.64 0.00 2.07 -2.01 -3.08 116.25 117.38 2kb0 h VAL 14 Ca -0.42 -0.46 -0.66 0.00 0.82 0.00 0.00 66.70 65.99 2kb0 h VAL 14 Cb 1.21 0.78 -0.36 0.00 -1.52 0.00 0.00 31.29 31.41 2kb0 h VAL 14 CO 0.74 0.17 0.04 0.61 0.02 0.00 0.00 177.57 179.15 2kb0 n GLY 15 N -0.89 5.84 0.37 2.17 0.00 -1.26 -4.78 105.19 106.64 2kb0 n GLY 15 Ca -0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 46.02 43.37 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 2.69 1.29 -0.68 1.61 3.64 -1.94 -2.03 116.57 121.14 2kb0 h LYS 16 Ca 0.42 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.66 2kb0 h LYS 16 Cb 0.60 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2kb0 h LYS 16 CO 1.11 0.85 0.17 1.15 -2.27 0.00 0.00 179.45 180.46 2kb0 h THR 17 N 1.33 1.26 -0.31 1.00 2.02 -1.88 -2.31 112.91 114.02 2kb0 h THR 17 Ca 0.37 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.69 2kb0 h THR 17 Cb -0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2kb0 h THR 17 CO -0.09 0.36 0.23 0.00 0.37 0.00 0.00 175.52 176.39 2kb0 h LEU 19 N 0.00 0.84 -0.15 0.00 5.85 -1.20 0.13 115.31 120.77 2kb0 h LEU 19 Ca 0.15 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 2kb0 h LEU 19 Cb 0.60 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kb0 h LEU 19 CO -0.00 0.62 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.88 2kb0 h LEU 20 N 0.97 0.95 -0.16 2.25 4.07 -1.25 -3.03 115.31 119.11 2kb0 h LEU 20 Ca 0.26 -0.63 0.01 0.00 0.08 0.00 0.00 57.88 57.60 2kb0 h LEU 20 Cb -0.08 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.36 2kb0 h LEU 20 CO -0.05 1.42 0.06 0.40 -1.08 0.00 0.00 178.44 179.19 2kb0 h ILE 21 N 0.54 0.97 -0.53 1.22 1.08 -0.97 0.32 117.51 120.13 2kb0 h ILE 21 Ca -0.05 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.47 2kb0 h ILE 21 Cb 1.40 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 2kb0 h ILE 21 CO 0.16 0.03 0.36 0.28 -0.69 0.00 0.00 178.15 178.29 2kb0 h SER 22 N 0.14 0.27 0.00 1.72 0.02 -1.01 0.85 113.55 115.54 2kb0 h SER 22 Ca 0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2kb0 h SER 22 Cb 0.03 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2kb0 h SER 22 CO -0.06 0.16 -0.14 0.22 -1.14 0.00 0.00 176.83 175.87 2kb0 h TYR 23 N 0.30 0.00 -0.66 3.45 3.20 -1.15 -3.25 116.97 118.85 2kb0 h TYR 23 Ca 0.25 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2kb0 h TYR 23 Cb 0.58 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 2kb0 h TYR 23 CO -0.00 0.99 0.34 1.15 -1.64 0.00 0.00 178.16 179.00 2kb0 h THR 24 N -1.00 0.91 0.00 1.81 2.02 -0.05 -3.43 112.91 113.18 2kb0 h THR 24 Ca -0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2kb0 h THR 24 Cb 0.97 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2kb0 h THR 24 CO -0.02 0.11 0.00 0.35 0.37 0.00 0.00 175.52 176.33 2kb0 n THR 25 N -4.83 0.00 -1.48 3.16 -2.24 0.26 -5.06 114.28 104.09 2kb0 n THR 25 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2kb0 n THR 25 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2kb0 n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kb0 n ASN 26 N 0.00 0.00 0.00 3.42 3.02 -1.23 -4.86 115.26 115.61 2kb0 n ASN 26 Ca 0.00 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2kb0 n ASN 26 Cb 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2kb0 n ASN 26 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kb0 n LYS 27 N 0.00 0.00 -0.34 3.52 4.81 -1.25 -4.52 118.16 120.39 2kb0 n LYS 27 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 2kb0 n LYS 27 Cb 0.54 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.59 2kb0 n LYS 27 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2kb0 n PHE 28 N 0.00 -0.07 -0.29 5.64 3.01 -1.26 -1.07 117.46 123.41 2kb0 n PHE 28 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 57.45 59.52 2kb0 n PHE 28 Cb 0.00 -0.76 0.04 0.00 -0.01 0.00 0.00 39.48 38.75 2kb0 n PHE 28 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2kb0 n PRO 29 N -5.22 -0.16 -4.40 -1.08 -0.02 -1.26 -4.22 135.00 118.64 2kb0 n PRO 29 Ca 0.07 1.19 -0.33 0.00 -2.02 0.00 0.00 63.50 62.41 2kb0 n PRO 29 Cb 0.31 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 2kb0 n PRO 29 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kb0 s SER 30 N -5.26 4.96 -0.02 2.55 0.15 -0.23 -4.99 113.70 110.86 2kb0 s SER 30 Ca -0.11 -0.01 0.13 0.00 0.70 0.00 0.00 55.95 56.67 2kb0 s SER 30 Cb 0.17 -1.28 -0.20 0.00 -1.71 0.00 0.00 66.02 62.99 2kb0 s SER 30 CO 0.56 0.32 0.28 -0.62 1.20 0.00 0.00 173.24 174.98 2kb0 n GLU 31 N 1.72 0.41 -4.23 5.44 1.02 -1.26 -4.80 120.64 118.94 2kb0 n GLU 31 Ca -0.16 -0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 56.73 2kb0 n GLU 31 Cb 0.53 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 2kb0 n GLU 31 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kb0 s TYR 32 N -2.89 1.16 -0.65 -0.32 2.02 -1.26 -5.10 117.35 110.30 2kb0 s TYR 32 Ca -0.05 -0.88 0.05 0.00 -0.37 0.00 0.00 57.07 55.83 2kb0 s TYR 32 Cb 0.08 -0.63 0.17 0.00 -0.40 0.00 0.00 41.96 41.18 2kb0 s TYR 32 CO 0.54 -0.06 0.47 1.55 -1.57 0.00 0.00 175.55 176.48 2kb0 n VAL 33 N -0.17 1.10 -0.16 0.71 3.14 -1.26 -5.00 118.33 116.69 2kb0 n VAL 33 Ca -0.10 -4.60 -0.08 0.00 -2.96 0.00 0.00 64.34 56.61 2kb0 n VAL 33 Cb 0.61 -2.08 -0.06 0.00 -1.06 0.00 0.00 33.84 31.25 2kb0 n VAL 33 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2kb0 h PRO 34 N 5.40 -0.13 -4.74 1.45 0.11 -2.05 -3.44 132.00 128.61 2kb0 h PRO 34 Ca 0.17 0.01 -0.28 0.00 0.11 0.00 0.00 66.00 66.01 2kb0 h PRO 34 Cb 0.78 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.77 2kb0 h PRO 34 CO 0.65 -0.08 -0.65 0.00 -0.21 0.00 0.00 178.00 177.71 2kb0 s ALA 35 N -4.88 1.33 0.00 -0.75 0.00 -1.26 -5.16 121.76 111.05 2kb0 s ALA 35 Ca -0.08 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.26 2kb0 s ALA 35 Cb 0.06 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2kb0 s ALA 35 CO 0.37 -0.39 -0.06 0.54 0.00 0.00 0.00 175.76 176.21 2kb0 s VAL 36 N -3.77 0.47 0.00 0.00 0.11 -1.26 -5.10 120.40 110.84 2kb0 s VAL 36 Ca 0.28 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2kb0 s VAL 36 Cb 0.07 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 2kb0 s VAL 36 CO 0.06 0.08 0.00 0.49 -3.33 0.00 0.00 175.10 172.40 2kb0 n PHE 37 N 2.78 0.00 -3.60 1.54 3.72 -1.26 -5.10 117.46 115.54 2kb0 n PHE 37 Ca -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.25 2kb0 n PHE 37 Cb 0.58 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2kb0 n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kb0 n ASP 38 N -0.47 -0.12 -4.53 4.37 5.68 -1.26 -5.13 116.55 115.08 2kb0 n ASP 38 Ca 0.00 -1.17 -0.37 0.00 -0.50 0.00 0.00 54.79 52.75 2kb0 n ASP 38 Cb 0.00 0.23 0.06 0.00 -1.14 0.00 0.00 41.12 40.27 2kb0 n ASP 38 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2kb0 n ASN 39 N -2.07 -0.31 -4.42 -1.12 6.94 -1.26 -4.99 115.26 108.03 2kb0 n ASN 39 Ca 0.00 0.71 -0.30 0.00 -0.02 0.00 0.00 54.58 54.97 2kb0 n ASN 39 Cb 0.05 -1.28 -0.13 0.00 -2.36 0.00 0.00 39.78 36.06 2kb0 n ASN 39 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kb0 s TYR 40 N -1.72 2.44 -0.01 -2.53 2.02 -1.26 -5.08 117.35 111.21 2kb0 s TYR 40 Ca 0.71 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2kb0 s TYR 40 Cb -0.40 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2kb0 s TYR 40 CO 0.52 0.25 -0.12 0.00 -1.57 0.00 0.00 175.55 174.63 2kb0 s ALA 41 N -0.94 2.78 -0.04 3.71 0.00 -1.26 -3.91 121.76 122.11 2kb0 s ALA 41 Ca 0.14 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2kb0 s ALA 41 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2kb0 s ALA 41 CO 0.05 0.58 -0.12 0.08 0.00 0.00 0.00 175.76 176.35 2kb0 s VAL 42 N -0.88 1.05 -0.08 0.00 1.01 -1.02 -5.03 120.40 115.45 2kb0 s VAL 42 Ca 0.14 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 2kb0 s VAL 42 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2kb0 s VAL 42 CO 0.04 0.32 0.53 -0.89 0.00 0.00 0.00 175.10 175.10 2kb0 s THR 43 N 0.20 5.09 -0.03 3.92 2.01 -1.26 -2.53 115.64 123.04 2kb0 s THR 43 Ca -0.05 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.10 2kb0 s THR 43 Cb -0.10 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2kb0 s THR 43 CO 0.01 0.35 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.39 2kb0 s VAL 44 N 0.35 1.72 0.00 3.82 1.01 -1.04 -4.98 120.40 121.28 2kb0 s VAL 44 Ca 0.29 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 2kb0 s VAL 44 Cb -0.16 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 2kb0 s VAL 44 CO 0.13 0.49 0.50 -0.04 0.00 0.00 0.00 175.10 176.17 2kb0 s MET 45 N -0.28 4.14 -0.05 2.72 -1.94 -1.26 -2.71 119.30 119.92 2kb0 s MET 45 Ca 0.02 0.56 0.02 0.00 -1.71 0.00 0.00 55.69 54.58 2kb0 s MET 45 Cb -0.11 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.46 2kb0 s MET 45 CO 0.01 0.53 -0.09 0.42 -0.01 0.00 0.00 175.02 175.88 2kb0 s ILE 46 N -0.65 0.86 -0.71 2.53 1.01 -0.50 -4.74 121.20 119.00 2kb0 s ILE 46 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2kb0 s ILE 46 Cb -0.17 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2kb0 s ILE 46 CO 0.15 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2kb0 n GLY 47 N 3.68 0.63 1.27 6.18 0.00 -1.26 0.25 105.19 115.94 2kb0 n GLY 47 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.10 0.64 3.30 -0.02 0.00 -1.26 -5.05 105.19 102.70 2kb0 n GLY 48 Ca -0.07 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.86 3.30 -0.23 1.61 2.02 0.70 -5.08 118.70 120.16 2kb0 s GLU 49 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 2kb0 s GLU 49 Cb 0.00 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2kb0 s GLU 49 CO 0.00 0.02 1.36 -1.25 0.02 0.00 0.00 175.26 175.41 2kb0 s PRO 50 N 0.83 4.02 -0.02 0.39 0.04 -1.26 -1.41 135.00 137.60 2kb0 s PRO 50 Ca -0.04 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.56 2kb0 s PRO 50 Cb -0.15 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 2kb0 s PRO 50 CO 0.00 -0.98 -0.17 0.71 0.04 0.00 0.00 177.00 176.60 2kb0 s TYR 51 N 4.17 1.50 0.30 0.56 2.02 -1.10 -5.01 117.35 119.80 2kb0 s TYR 51 Ca 0.59 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.85 2kb0 s TYR 51 Cb -0.21 -0.97 -0.09 0.00 -0.40 0.00 0.00 41.96 40.29 2kb0 s TYR 51 CO 0.21 -0.04 0.69 0.95 -1.57 0.00 0.00 175.55 175.80 2kb0 s THR 52 N -0.33 4.73 -0.04 -0.71 -4.23 -1.26 -2.51 115.64 111.30 2kb0 s THR 52 Ca 0.05 0.85 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 2kb0 s THR 52 Cb -0.07 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.16 2kb0 s THR 52 CO -0.00 -0.15 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.62 2kb0 s LEU 53 N -2.91 1.69 -0.08 4.79 2.96 -1.05 -3.79 118.68 120.28 2kb0 s LEU 53 Ca 0.52 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 2kb0 s LEU 53 Cb -0.11 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.99 2kb0 s LEU 53 CO 0.18 0.04 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.21 2kb0 s GLY 54 N 0.38 1.19 -0.15 7.98 0.00 -1.23 -2.43 107.32 113.06 2kb0 s GLY 54 Ca -0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 2kb0 s GLY 54 CO 0.01 -0.28 0.04 1.08 0.00 0.00 0.00 173.10 173.95 2kb0 s LEU 55 N 0.31 3.74 -0.11 0.66 1.43 -1.25 -2.80 118.68 120.66 2kb0 s LEU 55 Ca -0.15 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2kb0 s LEU 55 Cb -0.17 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2kb0 s LEU 55 CO 0.07 0.24 -0.10 -0.36 0.23 0.00 0.00 176.35 176.43 2kb0 s PHE 56 N -0.03 2.87 0.04 0.29 0.08 -0.62 -4.58 117.98 116.04 2kb0 s PHE 56 Ca 0.05 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.78 2kb0 s PHE 56 Cb -0.12 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2kb0 s PHE 56 CO 0.01 -0.00 -0.12 0.34 -0.10 0.00 0.00 175.22 175.35 2kb0 s ASP 57 N -0.03 1.37 0.73 1.36 2.15 -1.26 -2.48 116.67 118.52 2kb0 s ASP 57 Ca -0.02 -0.49 -0.11 0.00 0.43 0.00 0.00 52.55 52.37 2kb0 s ASP 57 Cb -0.14 -0.05 0.03 0.00 -0.30 0.00 0.00 42.92 42.46 2kb0 s ASP 57 CO 0.03 -0.05 1.07 0.42 -0.17 0.00 0.00 175.17 176.48 2kb0 s THR 58 N -1.03 3.70 0.12 1.71 -4.23 -1.26 -5.04 115.64 109.61 2kb0 s THR 58 Ca -0.02 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2kb0 s THR 58 Cb -0.08 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 2kb0 s THR 58 CO 0.01 -0.72 -0.12 0.00 -0.54 0.00 0.00 174.62 173.25 2kb0 s ALA 59 N -3.00 1.38 -2.03 3.99 0.00 -1.26 -5.02 121.76 115.83 2kb0 s ALA 59 Ca 0.59 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2kb0 s ALA 59 Cb -0.15 -0.03 0.32 0.00 0.00 0.00 0.00 23.12 23.26 2kb0 s ALA 59 CO 0.55 0.03 1.24 0.41 0.00 0.00 0.00 175.76 178.00 2kb0 n GLY 60 N 0.42 0.10 2.15 0.00 0.00 -1.26 -4.32 105.19 102.28 2kb0 n GLY 60 Ca -0.15 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 0.18 2.08 0.05 1.61 6.02 -1.26 -4.53 117.38 121.53 2kb0 n GLN 61 Ca 0.09 -1.47 0.03 0.00 -0.01 0.00 0.00 57.00 55.64 2kb0 n GLN 61 Cb 0.21 -1.97 0.40 0.00 1.02 0.00 0.00 30.24 29.90 2kb0 n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2kb0 h GLU 62 N 2.80 0.41 -0.68 -1.09 5.08 -2.00 -2.37 114.58 116.73 2kb0 h GLU 62 Ca 0.26 -0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.75 2kb0 h GLU 62 Cb 1.16 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2kb0 h GLU 62 CO 0.48 0.38 0.48 -0.44 -1.00 0.00 0.00 179.01 178.92 2kb0 h ASP 63 N 0.41 0.04 -0.04 1.42 3.32 -1.98 0.62 116.42 120.22 2kb0 h ASP 63 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2kb0 h ASP 63 Cb 0.16 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kb0 h ASP 63 CO -0.00 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 2kb0 n TYR 64 N -4.35 0.02 -4.19 4.55 4.01 -0.89 -4.93 117.16 111.38 2kb0 n TYR 64 Ca 0.13 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 2kb0 n TYR 64 Cb 0.72 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.71 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kb0 n ASP 65 N 0.48 -1.39 -0.03 7.72 8.00 0.22 -4.77 116.55 126.78 2kb0 n ASP 65 Ca 0.18 -1.08 0.13 0.00 0.71 0.00 0.00 54.79 54.72 2kb0 n ASP 65 Cb 0.41 -2.53 0.55 0.00 -0.02 0.00 0.00 41.12 39.54 2kb0 n ASP 65 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kb0 h ARG 66 N -1.60 0.28 -5.32 -1.24 3.08 -1.81 -3.38 114.38 104.39 2kb0 h ARG 66 Ca -0.62 -0.02 -0.61 0.00 0.07 0.00 0.00 59.98 58.81 2kb0 h ARG 66 Cb 1.38 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.25 2kb0 h ARG 66 CO 0.73 0.18 -0.24 -1.17 -1.07 0.00 0.00 179.97 178.41 2kb0 s LEU 67 N -9.20 4.12 0.12 3.04 2.96 -1.26 -5.05 118.68 113.42 2kb0 s LEU 67 Ca -0.07 0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 54.13 2kb0 s LEU 67 Cb 0.19 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.45 2kb0 s LEU 67 CO 0.74 -0.09 0.32 -0.13 -1.32 0.00 0.00 176.35 175.87 2kb0 s ARG 68 N 1.46 1.02 0.00 1.98 0.52 -1.26 -4.99 118.95 117.68 2kb0 s ARG 68 Ca 0.17 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2kb0 s ARG 68 Cb -0.15 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.74 2kb0 s ARG 68 CO 0.08 -0.38 0.00 -0.35 0.02 0.00 0.00 175.30 174.67 2kb0 n PRO 69 N -0.18 0.00 -0.27 3.54 -0.04 -1.26 -3.23 135.00 133.56 2kb0 n PRO 69 Ca -0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2kb0 n PRO 69 Cb 0.63 -0.98 0.22 0.00 -0.04 0.00 0.00 33.50 33.33 2kb0 n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kb0 h LEU 70 N 0.06 0.93 -8.47 1.53 3.38 -1.96 -3.43 115.31 107.35 2kb0 h LEU 70 Ca 0.00 -0.02 -0.42 0.00 0.09 0.00 0.00 57.88 57.53 2kb0 h LEU 70 Cb 0.00 -0.22 -0.21 0.00 0.09 0.00 0.00 40.66 40.32 2kb0 h LEU 70 CO 0.00 0.66 -0.78 -0.55 0.09 0.00 0.00 178.44 177.86 2kb0 s SER 71 N -6.23 1.79 -0.60 -0.43 0.15 -1.20 -5.10 113.70 102.09 2kb0 s SER 71 Ca -0.11 -0.67 0.04 0.00 0.70 0.00 0.00 55.95 55.91 2kb0 s SER 71 Cb 0.18 -0.06 0.15 0.00 -1.71 0.00 0.00 66.02 64.59 2kb0 s SER 71 CO 0.79 -0.09 0.37 -0.47 1.20 0.00 0.00 173.24 175.05 2kb0 s TYR 72 N -1.50 3.18 0.51 3.44 5.04 -1.26 -4.96 117.35 121.80 2kb0 s TYR 72 Ca 0.01 -3.16 -0.20 0.00 -2.44 0.00 0.00 57.07 51.28 2kb0 s TYR 72 Cb -0.09 -2.61 -0.10 0.00 0.35 0.00 0.00 41.96 39.52 2kb0 s TYR 72 CO 0.02 -0.65 0.59 -2.30 -1.34 0.00 0.00 175.55 171.87 2kb0 n PRO 73 N 2.59 0.63 -0.03 4.97 -0.02 -1.26 -4.96 135.00 136.92 2kb0 n PRO 73 Ca 0.13 0.24 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2kb0 n PRO 73 Cb 0.34 -1.70 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2kb0 n PRO 73 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kb0 h GLN 74 N 0.54 -0.00 -1.50 -0.52 1.08 -1.99 -3.49 115.11 109.23 2kb0 h GLN 74 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2kb0 h GLN 74 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2kb0 h GLN 74 CO 0.49 -0.00 0.00 2.41 -0.95 0.00 0.00 178.83 180.78 2kb0 n THR 75 N -3.80 -0.06 -0.07 -0.54 -1.04 -1.26 -4.95 114.28 102.56 2kb0 n THR 75 Ca -0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 2kb0 n THR 75 Cb 0.00 -1.83 0.49 0.00 -1.82 0.00 0.00 70.33 67.18 2kb0 n THR 75 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kb0 h ASP 76 N 0.00 0.38 -3.41 8.00 3.32 -1.96 -3.40 116.42 119.35 2kb0 h ASP 76 Ca 0.00 0.01 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2kb0 h ASP 76 Cb 0.72 -0.07 -0.34 0.00 0.22 0.00 0.00 39.33 39.85 2kb0 h ASP 76 CO 0.00 0.23 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.27 2kb0 s VAL 77 N -5.40 0.87 -0.22 -1.35 1.01 -1.25 -4.82 120.40 109.24 2kb0 s VAL 77 Ca -0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2kb0 s VAL 77 Cb 0.19 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2kb0 s VAL 77 CO 0.75 0.30 0.06 0.12 0.00 0.00 0.00 175.10 176.33 2kb0 s PHE 78 N 0.88 3.13 -0.10 5.22 5.36 -1.24 -3.84 117.98 127.37 2kb0 s PHE 78 Ca -0.11 -0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 2kb0 s PHE 78 Cb -0.15 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2kb0 s PHE 78 CO 0.01 -0.16 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.08 2kb0 s LEU 79 N 1.10 3.45 -0.04 6.12 1.43 -1.11 -2.55 118.68 127.09 2kb0 s LEU 79 Ca 0.04 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2kb0 s LEU 79 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2kb0 s LEU 79 CO 0.03 0.32 -0.19 -0.69 0.23 0.00 0.00 176.35 176.06 2kb0 s VAL 80 N -0.56 1.54 -0.07 -1.59 1.01 -0.71 -3.66 120.40 116.36 2kb0 s VAL 80 Ca 0.09 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2kb0 s VAL 80 Cb -0.12 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2kb0 s VAL 80 CO 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 2kb0 s PHE 82 N 0.98 1.14 -0.06 0.00 -0.71 -1.25 -4.42 117.98 113.66 2kb0 s PHE 82 Ca -0.09 -1.11 -0.04 0.00 -1.04 0.00 0.00 56.93 54.66 2kb0 s PHE 82 Cb -0.15 -0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 40.98 2kb0 s PHE 82 CO 0.00 -0.32 0.12 -1.12 -1.34 0.00 0.00 175.22 172.56 2kb0 s SER 83 N -3.15 6.08 0.00 1.98 0.01 -1.26 -3.05 113.70 114.31 2kb0 s SER 83 Ca 0.26 0.33 0.20 0.00 1.31 0.00 0.00 55.95 58.05 2kb0 s SER 83 Cb 0.07 -1.88 0.11 0.00 0.21 0.00 0.00 66.02 64.53 2kb0 s SER 83 CO 0.04 0.34 1.10 0.55 0.41 0.00 0.00 173.24 175.69 2kb0 n VAL 84 N 1.58 0.00 0.14 3.43 3.14 -1.25 -4.25 118.33 121.11 2kb0 n VAL 84 Ca -0.16 -0.44 0.08 0.00 -2.96 0.00 0.00 64.34 60.86 2kb0 n VAL 84 Cb 0.54 1.37 0.04 0.00 -1.06 0.00 0.00 33.84 34.73 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 3.50 0.21 -3.69 1.55 2.07 -1.87 -3.13 116.25 114.89 2kb0 h VAL 85 Ca 0.00 -1.34 -0.69 0.00 0.82 0.00 0.00 66.70 65.49 2kb0 h VAL 85 Cb 0.80 1.88 -0.31 0.00 -1.52 0.00 0.00 31.29 32.14 2kb0 h VAL 85 CO 0.00 0.12 -0.63 -0.44 0.02 0.00 0.00 177.57 176.64 2kb0 s SER 86 N -5.87 5.15 0.34 0.57 0.01 -1.26 -4.60 113.70 108.04 2kb0 s SER 86 Ca 0.02 -1.31 0.09 0.00 1.31 0.00 0.00 55.95 56.07 2kb0 s SER 86 Cb 0.08 -1.80 0.84 0.00 0.21 0.00 0.00 66.02 65.34 2kb0 s SER 86 CO 0.75 -0.33 1.81 -0.65 0.41 0.00 0.00 173.24 175.22 2kb0 h PRO 87 N 8.12 0.65 -0.64 12.44 0.11 -1.87 0.35 132.00 151.16 2kb0 h PRO 87 Ca -0.21 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.92 2kb0 h PRO 87 Cb 1.07 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2kb0 h PRO 87 CO 0.59 0.43 0.42 0.66 -0.21 0.00 0.00 178.00 179.89 2kb0 h SER 88 N 0.67 0.55 0.72 -2.05 4.64 -1.95 0.48 113.55 116.61 2kb0 h SER 88 Ca 0.54 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.84 2kb0 h SER 88 Cb 0.96 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2kb0 h SER 88 CO -0.30 0.36 -0.07 0.77 -0.87 0.00 0.00 176.83 176.71 2kb0 h SER 89 N 0.63 0.00 0.02 4.97 4.64 -1.22 -0.62 113.55 121.98 2kb0 h SER 89 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2kb0 h SER 89 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2kb0 h SER 89 CO -0.09 0.07 -0.01 0.15 -0.87 0.00 0.00 176.83 176.09 2kb0 h PHE 90 N 0.00 -0.02 -0.34 4.77 3.57 0.01 -3.18 116.94 121.75 2kb0 h PHE 90 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2kb0 h PHE 90 Cb 0.45 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2kb0 h PHE 90 CO 0.00 0.56 -0.17 0.93 -2.23 0.00 0.00 178.31 177.40 2kb0 h GLU 91 N -0.63 0.62 -0.94 1.11 5.08 -1.21 -2.51 114.58 116.10 2kb0 h GLU 91 Ca -0.00 -0.21 0.24 0.00 -1.00 0.00 0.00 59.36 58.38 2kb0 h GLU 91 Cb 0.59 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2kb0 h GLU 91 CO 0.00 0.76 0.64 -0.91 -1.00 0.00 0.00 179.01 178.50 2kb0 h ASN 92 N 0.56 0.30 -0.40 1.42 2.35 -1.11 0.59 115.58 119.28 2kb0 h ASN 92 Ca 0.09 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2kb0 h ASN 92 Cb 0.61 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 2kb0 h ASN 92 CO 0.04 0.10 0.16 0.58 -1.65 0.00 0.00 177.43 176.66 2kb0 h VAL 93 N 0.29 1.18 0.10 2.81 2.07 -1.43 -1.19 116.25 120.08 2kb0 h VAL 93 Ca 0.49 -0.58 -0.34 0.00 0.82 0.00 0.00 66.70 67.08 2kb0 h VAL 93 Cb 1.42 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2kb0 h VAL 93 CO -0.15 0.22 -1.88 0.50 0.02 0.00 0.00 177.57 176.28 2kb0 h LYS 94 N 0.65 0.22 -0.40 1.57 3.64 -0.15 -1.80 116.57 120.30 2kb0 h LYS 94 Ca 0.16 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2kb0 h LYS 94 Cb 0.16 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2kb0 h LYS 94 CO -0.01 1.06 -0.17 0.93 -2.27 0.00 0.00 179.45 179.00 2kb0 h GLU 95 N 0.06 0.76 0.00 1.90 5.08 -0.33 -3.30 114.58 118.74 2kb0 h GLU 95 Ca -0.38 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.58 2kb0 h GLU 95 Cb 2.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 2kb0 h GLU 95 CO 0.10 0.88 -1.31 1.17 -1.00 0.00 0.00 179.01 178.85 2kb0 n LYS 96 N -4.14 0.20 -0.18 2.33 4.81 -0.46 -4.65 118.16 116.08 2kb0 n LYS 96 Ca 0.01 0.09 -0.09 0.00 -0.87 0.00 0.00 58.31 57.44 2kb0 n LYS 96 Cb 0.40 -0.85 0.04 0.00 0.02 0.00 0.00 35.03 34.64 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2kb0 h TRP 97 N -0.35 1.11 0.21 5.64 6.55 -1.55 -1.56 115.95 126.00 2kb0 h TRP 97 Ca -0.20 -0.22 -0.01 0.00 0.95 0.00 0.00 58.89 59.41 2kb0 h TRP 97 Cb 1.04 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 2kb0 h TRP 97 CO -0.06 1.02 -0.10 0.28 -1.05 0.00 0.00 178.44 178.54 2kb0 h VAL 98 N 0.90 0.82 -0.30 1.49 2.07 -1.41 -2.84 116.25 116.99 2kb0 h VAL 98 Ca 0.14 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2kb0 h VAL 98 Cb 0.64 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2kb0 h VAL 98 CO 0.04 0.04 -0.20 1.55 0.02 0.00 0.00 177.57 179.02 2kb0 h PRO 99 N -0.35 0.66 -1.00 1.57 0.13 -1.72 -3.19 132.00 128.10 2kb0 h PRO 99 Ca -0.03 -0.32 0.16 0.00 -0.87 0.00 0.00 66.00 64.94 2kb0 h PRO 99 Cb 0.27 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.30 2kb0 h PRO 99 CO 0.05 0.91 0.62 1.49 -0.23 0.00 0.00 178.00 180.84 2kb0 h GLU 100 N 0.41 0.84 -0.20 0.86 4.81 -1.28 0.61 114.58 120.63 2kb0 h GLU 100 Ca 0.06 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2kb0 h GLU 100 Cb 0.75 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2kb0 h GLU 100 CO 0.06 0.55 -0.24 0.82 -0.73 0.00 0.00 179.01 179.47 2kb0 h ILE 101 N 0.86 1.25 -0.97 2.32 5.03 -1.49 -2.69 117.51 121.83 2kb0 h ILE 101 Ca 0.54 -1.16 0.14 0.00 -0.12 0.00 0.00 64.86 64.26 2kb0 h ILE 101 Cb 0.72 1.36 -0.08 0.00 -3.03 0.00 0.00 36.82 35.78 2kb0 h ILE 101 CO -0.32 0.36 0.61 0.74 -0.68 0.00 0.00 178.15 178.86 2kb0 h THR 102 N 0.32 0.85 -0.94 -0.27 2.02 -0.90 1.43 112.91 115.42 2kb0 h THR 102 Ca 0.05 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2kb0 h THR 102 Cb 0.60 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2kb0 h THR 102 CO 0.04 0.16 0.62 -0.74 0.37 0.00 0.00 175.52 175.96 2kb0 h HIS 103 N 0.85 1.16 -0.11 3.16 -0.00 -1.44 -1.90 115.15 116.87 2kb0 h HIS 103 Ca 0.50 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.90 2kb0 h HIS 103 Cb 0.65 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 2kb0 h HIS 103 CO -0.00 0.68 0.00 0.72 -0.00 0.00 0.00 177.93 179.33 2kb0 n HIS 104 N -4.48 0.11 -1.45 5.26 8.25 0.12 -5.07 115.22 117.95 2kb0 n HIS 104 Ca 0.12 -0.05 0.18 0.00 -0.26 0.00 0.00 57.72 57.71 2kb0 n HIS 104 Cb 0.08 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kb0 n PRO 106 N -4.32 0.73 -0.08 0.00 -0.04 -1.26 -4.44 135.00 125.58 2kb0 n PRO 106 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2kb0 n PRO 106 Cb 0.69 -1.13 0.35 0.00 -0.04 0.00 0.00 33.50 33.36 2kb0 n PRO 106 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kb0 h LYS 107 N 1.79 0.71 -6.36 0.54 1.57 -1.93 -3.43 116.57 109.46 2kb0 h LYS 107 Ca 0.00 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.11 2kb0 h LYS 107 Cb 0.73 -0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.74 2kb0 h LYS 107 CO 0.00 0.48 -0.77 0.95 -0.57 0.00 0.00 179.45 179.54 2kb0 s THR 108 N -5.61 2.56 0.40 -0.16 -4.23 -1.26 -5.12 115.64 102.22 2kb0 s THR 108 Ca -0.09 -2.20 -0.25 0.00 -1.18 0.00 0.00 61.69 57.97 2kb0 s THR 108 Cb 0.17 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 2kb0 s THR 108 CO 0.75 -0.29 1.14 -2.16 -0.54 0.00 0.00 174.62 173.52 2kb0 s PRO 109 N -3.20 4.07 -0.05 3.99 0.04 -1.26 -5.04 135.00 133.54 2kb0 s PRO 109 Ca 0.27 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2kb0 s PRO 109 Cb -0.06 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2kb0 s PRO 109 CO 0.14 -0.28 -0.19 -0.06 0.04 0.00 0.00 177.00 176.64 2kb0 s PHE 110 N -1.48 2.56 -0.17 0.56 0.40 -1.26 -3.73 117.98 114.86 2kb0 s PHE 110 Ca 0.57 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 2kb0 s PHE 110 Cb -0.28 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2kb0 s PHE 110 CO 0.35 0.04 -0.15 -1.17 0.70 0.00 0.00 175.22 174.99 2kb0 s LEU 111 N -0.56 2.44 -0.31 -0.37 2.96 -1.06 -3.75 118.68 118.04 2kb0 s LEU 111 Ca 0.08 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2kb0 s LEU 111 Cb -0.11 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2kb0 s LEU 111 CO 0.01 0.05 0.19 -0.76 -1.32 0.00 0.00 176.35 174.52 2kb0 s LEU 112 N 1.00 4.21 -0.10 -0.68 1.43 -1.05 -1.73 118.68 121.77 2kb0 s LEU 112 Ca -0.02 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2kb0 s LEU 112 Cb -0.15 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2kb0 s LEU 112 CO -0.03 -0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 175.62 2kb0 s VAL 113 N 1.70 3.58 -0.35 -1.59 1.01 -1.03 -1.18 120.40 122.54 2kb0 s VAL 113 Ca 0.06 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 2kb0 s VAL 113 Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2kb0 s VAL 113 CO 0.09 0.56 0.78 -0.83 0.00 0.00 0.00 175.10 175.70 2kb0 s GLY 114 N -0.30 1.67 0.06 4.51 0.00 0.74 -3.74 107.32 110.25 2kb0 s GLY 114 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2kb0 s GLY 114 CO 0.02 1.75 0.14 -1.59 0.00 0.00 0.00 173.10 173.43 2kb0 s THR 115 N 3.07 4.97 -1.30 0.90 2.01 -1.17 -0.36 115.64 123.76 2kb0 s THR 115 Ca 0.31 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 2kb0 s THR 115 Cb -0.13 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2kb0 s THR 115 CO 0.16 0.17 1.13 0.00 -0.69 0.00 0.00 174.62 175.39 2kb0 n GLN 116 N 0.51 -7.58 0.00 4.92 6.02 -1.20 -3.91 117.38 116.13 2kb0 n GLN 116 Ca -0.08 0.80 0.10 0.00 -0.01 0.00 0.00 57.00 57.82 2kb0 n GLN 116 Cb 0.52 -5.77 0.51 0.00 1.02 0.00 0.00 30.24 26.51 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kb0 n ILE 117 N -4.83 0.39 0.10 5.09 -5.35 -1.25 -2.46 119.36 111.05 2kb0 n ILE 117 Ca -0.02 0.10 0.04 0.00 -0.27 0.00 0.00 62.75 62.59 2kb0 n ILE 117 Cb 0.57 -0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 37.70 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kb0 h ASP 118 N 0.00 0.00 0.38 7.28 3.32 -1.90 -3.25 116.42 122.25 2kb0 h ASP 118 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2kb0 h ASP 118 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2kb0 h ASP 118 CO 0.00 0.40 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.73 2kb0 h LEU 119 N 0.00 0.00 -0.68 1.55 4.07 -1.87 -2.51 115.31 115.88 2kb0 h LEU 119 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2kb0 h LEU 119 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 2kb0 h LEU 119 CO 0.04 0.12 0.71 0.03 -1.08 0.00 0.00 178.44 178.27 2kb0 h ARG 120 N 0.00 0.00 -1.36 1.13 3.08 -1.71 0.66 114.38 116.18 2kb0 h ARG 120 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2kb0 h ARG 120 Cb 0.35 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.98 2kb0 h ARG 120 CO 0.02 0.00 -0.79 -3.47 -1.07 0.00 0.00 179.97 174.65 2kb0 n ASP 121 N -2.50 4.36 -4.00 7.04 2.03 -0.94 -4.95 116.55 117.59 2kb0 n ASP 121 Ca -0.01 -3.60 -0.32 0.00 0.52 0.00 0.00 54.79 51.39 2kb0 n ASP 121 Cb 0.73 -0.45 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 2kb0 n ASP 121 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb0 s ASP 122 N -3.51 4.61 0.31 1.67 -1.08 0.23 -4.97 116.67 113.93 2kb0 s ASP 122 Ca 0.46 -2.94 0.07 0.00 -0.52 0.00 0.00 52.55 49.63 2kb0 s ASP 122 Cb 0.41 -1.70 0.82 0.00 -1.46 0.00 0.00 42.92 40.98 2kb0 s ASP 122 CO -0.14 -0.28 1.72 -0.65 0.52 0.00 0.00 175.17 176.35 2kb0 h PRO 123 N 6.70 0.52 -0.72 4.34 0.11 -1.92 -0.05 132.00 140.97 2kb0 h PRO 123 Ca -0.06 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.06 2kb0 h PRO 123 Cb 0.91 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 2kb0 h PRO 123 CO 0.69 0.34 0.44 1.03 -0.21 0.00 0.00 178.00 180.29 2kb0 h SER 124 N 0.53 0.70 -0.01 -2.05 0.87 -1.98 0.13 113.55 111.74 2kb0 h SER 124 Ca 0.61 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.17 2kb0 h SER 124 Cb 1.14 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2kb0 h SER 124 CO -0.48 0.47 -0.02 0.74 -0.53 0.00 0.00 176.83 177.00 2kb0 h THR 125 N 0.83 1.42 -1.00 2.23 2.02 -1.45 -2.89 112.91 114.06 2kb0 h THR 125 Ca 0.30 -1.26 0.24 0.00 0.77 0.00 0.00 66.41 66.46 2kb0 h THR 125 Cb 0.09 2.24 -0.09 0.00 -1.74 0.00 0.00 68.15 68.65 2kb0 h THR 125 CO -0.14 0.33 0.65 0.40 0.37 0.00 0.00 175.52 177.13 2kb0 h ILE 126 N -0.47 0.58 -0.42 3.11 2.04 -0.77 0.32 117.51 121.90 2kb0 h ILE 126 Ca 0.00 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2kb0 h ILE 126 Cb 0.55 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2kb0 h ILE 126 CO 0.00 0.08 0.07 -0.08 0.00 0.00 0.00 178.15 178.23 2kb0 h GLU 127 N 0.44 0.70 -0.67 2.37 4.81 -0.60 0.80 114.58 122.43 2kb0 h GLU 127 Ca 0.56 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2kb0 h GLU 127 Cb 1.36 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 2kb0 h GLU 127 CO -0.27 0.73 0.36 0.87 -0.73 0.00 0.00 179.01 179.96 2kb0 h LYS 128 N 0.55 0.94 -0.01 1.92 1.57 -0.22 -2.52 116.57 118.80 2kb0 h LYS 128 Ca 0.13 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2kb0 h LYS 128 Cb 0.37 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2kb0 h LYS 128 CO 0.01 0.72 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.68 2kb0 h LEU 129 N 0.92 0.36 -1.02 2.94 -0.00 -0.95 -3.20 115.31 114.36 2kb0 h LEU 129 Ca 0.23 -0.28 0.22 0.00 -0.00 0.00 0.00 57.88 58.05 2kb0 h LEU 129 Cb 0.06 -0.11 -0.11 0.00 -0.00 0.00 0.00 40.66 40.49 2kb0 h LEU 129 CO -0.04 1.06 0.61 0.00 -0.00 0.00 0.00 178.44 180.07 2kb0 h ALA 130 N 0.92 1.74 -0.55 1.53 0.00 0.11 0.52 119.26 123.52 2kb0 h ALA 130 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kb0 h ALA 130 Cb 1.47 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2kb0 h ALA 130 CO 0.14 -0.17 0.36 -0.22 0.00 0.00 0.00 179.25 179.36 2kb0 h LYS 131 N 0.67 0.71 -0.11 0.00 3.64 -1.52 0.87 116.57 120.82 2kb0 h LYS 131 Ca 0.61 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2kb0 h LYS 131 Cb 1.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2kb0 h LYS 131 CO -0.42 0.47 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 2kb0 n ASN 132 N -4.46 0.81 -3.30 4.20 3.02 0.18 -4.89 115.26 110.81 2kb0 n ASN 132 Ca 0.05 -1.75 -0.19 0.00 -0.03 0.00 0.00 54.58 52.66 2kb0 n ASN 132 Cb 0.06 -0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.23 2kb0 n ASN 132 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kb0 n LYS 133 N -0.17 -6.78 -3.86 3.52 4.81 0.30 -5.01 118.16 110.98 2kb0 n LYS 133 Ca 0.11 0.77 -0.12 0.00 -0.87 0.00 0.00 58.31 58.20 2kb0 n LYS 133 Cb 0.16 -5.62 -0.14 0.00 0.02 0.00 0.00 35.03 29.46 2kb0 n LYS 133 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2kb0 s GLN 134 N -5.76 0.04 0.30 1.64 -0.21 -1.11 -5.02 119.66 109.53 2kb0 s GLN 134 Ca 0.28 0.05 0.11 0.00 0.02 0.00 0.00 55.36 55.83 2kb0 s GLN 134 Cb -0.13 0.01 -0.05 0.00 1.00 0.00 0.00 33.01 33.84 2kb0 s GLN 134 CO 0.67 -0.01 -0.13 -1.59 -2.12 0.00 0.00 175.29 172.11 2kb0 s LYS 135 N 0.06 1.82 0.53 2.91 -2.85 -1.26 -3.74 119.74 117.21 2kb0 s LYS 135 Ca -0.00 -1.78 -0.22 0.00 -1.00 0.00 0.00 55.97 52.97 2kb0 s LYS 135 Cb -0.01 -1.81 -0.05 0.00 -2.06 0.00 0.00 37.83 33.90 2kb0 s LYS 135 CO -0.00 0.26 1.39 -1.25 0.10 0.00 0.00 175.35 175.85 2kb0 s PRO 136 N -3.57 3.21 0.13 1.78 0.04 -1.26 -4.80 135.00 130.52 2kb0 s PRO 136 Ca 0.31 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.52 2kb0 s PRO 136 Cb -0.03 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 2kb0 s PRO 136 CO 0.16 -1.16 0.52 0.42 0.04 0.00 0.00 177.00 176.99 2kb0 s ILE 137 N -1.27 4.90 0.39 0.56 1.01 -1.18 -5.07 121.20 120.53 2kb0 s ILE 137 Ca 0.70 0.78 -0.09 0.00 0.00 0.00 0.00 60.65 62.04 2kb0 s ILE 137 Cb -0.42 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2kb0 s ILE 137 CO 0.50 0.28 0.73 0.42 0.00 0.00 0.00 174.94 176.87 2kb0 s THR 138 N -1.42 4.83 0.45 2.92 -4.23 -1.26 -4.91 115.64 112.02 2kb0 s THR 138 Ca 0.36 0.50 0.14 0.00 -1.18 0.00 0.00 61.69 61.50 2kb0 s THR 138 Cb -0.15 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.26 2kb0 s THR 138 CO 0.19 -0.50 2.03 1.55 -0.54 0.00 0.00 174.62 177.34 2kb0 h PRO 139 N 1.28 0.33 -0.89 3.99 0.13 -1.98 -2.12 132.00 132.73 2kb0 h PRO 139 Ca -0.47 -0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2kb0 h PRO 139 Cb 1.19 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.17 2kb0 h PRO 139 CO 0.64 0.22 0.58 0.93 -0.23 0.00 0.00 178.00 180.13 2kb0 h GLU 140 N 0.33 0.59 0.00 0.86 5.08 -2.00 0.51 114.58 119.96 2kb0 h GLU 140 Ca 0.20 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2kb0 h GLU 140 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kb0 h GLU 140 CO -0.05 0.39 -0.35 1.79 -1.00 0.00 0.00 179.01 179.79 2kb0 h THR 141 N 0.61 0.63 -0.03 1.13 1.35 -1.77 -3.13 112.91 111.69 2kb0 h THR 141 Ca 0.46 -1.78 -0.15 0.00 -0.55 0.00 0.00 66.41 64.38 2kb0 h THR 141 Cb 0.85 2.23 0.01 0.00 -1.73 0.00 0.00 68.15 69.51 2kb0 h THR 141 CO -0.21 0.34 -0.58 0.00 -0.25 0.00 0.00 175.52 174.82 2kb0 h ALA 142 N 1.65 0.12 -0.44 6.62 0.00 -0.10 -3.11 119.26 124.00 2kb0 h ALA 142 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 2kb0 h ALA 142 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2kb0 h ALA 142 CO 0.05 0.37 0.07 1.49 0.00 0.00 0.00 179.25 181.23 2kb0 h GLU 143 N -0.01 0.67 -0.54 0.00 4.81 -0.84 -2.53 114.58 116.13 2kb0 h GLU 143 Ca -0.06 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 2kb0 h GLU 143 Cb 1.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2kb0 h GLU 143 CO 0.12 0.63 -0.02 0.87 -0.73 0.00 0.00 179.01 179.89 2kb0 h LYS 144 N 0.64 0.93 -0.87 1.92 1.57 -1.59 -2.47 116.57 116.71 2kb0 h LYS 144 Ca 0.14 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2kb0 h LYS 144 Cb 0.29 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2kb0 h LYS 144 CO 0.00 0.93 0.57 1.25 -0.57 0.00 0.00 179.45 181.63 2kb0 h LEU 145 N 0.85 0.98 -0.40 2.94 5.85 -1.38 -0.01 115.31 124.14 2kb0 h LEU 145 Ca 0.16 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2kb0 h LEU 145 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2kb0 h LEU 145 CO 0.03 0.70 -0.04 0.00 -0.34 0.00 0.00 178.44 178.79 2kb0 h ALA 146 N 1.47 0.54 -0.03 1.25 0.00 -1.28 -0.03 119.26 121.17 2kb0 h ALA 146 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kb0 h ALA 146 Cb -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2kb0 h ALA 146 CO -0.08 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.07 2kb0 n ARG 147 N -4.40 1.10 -0.05 0.00 5.12 -0.84 -1.51 116.66 116.08 2kb0 n ARG 147 Ca -0.01 -0.15 -0.06 0.00 -1.93 0.00 0.00 57.85 55.70 2kb0 n ARG 147 Cb 0.32 -1.20 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kb0 n ASP 148 N -0.53 3.00 -1.23 0.55 8.00 -0.08 -4.54 116.55 121.71 2kb0 n ASP 148 Ca 0.09 -0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.62 2kb0 n ASP 148 Cb 0.07 0.28 0.24 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.57 3.57 -2.40 0.64 4.77 -0.09 -4.88 117.00 116.05 2kb0 n LEU 149 Ca -0.17 -1.81 -0.20 0.00 -0.03 0.00 0.00 56.01 53.80 2kb0 n LEU 149 Cb 0.75 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2kb0 n LEU 149 CO 0.15 0.54 -0.19 0.29 -1.33 0.00 0.00 177.39 176.84 2kb0 n LYS 150 N 0.55 -2.31 -2.16 3.23 5.02 -1.21 -4.94 118.16 116.33 2kb0 n LYS 150 Ca 0.17 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 57.02 2kb0 n LYS 150 Cb 0.72 -5.57 -0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 -3.03 3.05 0.01 7.82 0.00 -0.57 -4.96 121.76 124.08 2kb0 s ALA 151 Ca 0.07 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 2kb0 s ALA 151 Cb -0.03 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 2kb0 s ALA 151 CO 0.08 -0.76 1.03 0.28 0.00 0.00 0.00 175.76 176.40 2kb0 h VAL 152 N 2.02 0.00 -3.27 0.00 2.07 -1.87 -3.45 116.25 111.75 2kb0 h VAL 152 Ca -0.49 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2kb0 h VAL 152 Cb 1.25 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 2kb0 h VAL 152 CO 0.61 0.00 -0.11 -0.54 0.02 0.00 0.00 177.57 177.54 2kb0 s LYS 153 N -4.39 0.98 0.05 1.57 1.02 -1.25 -5.09 119.74 112.63 2kb0 s LYS 153 Ca -0.13 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2kb0 s LYS 153 Cb 0.01 0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 37.73 2kb0 s LYS 153 CO 0.38 -0.36 -0.12 1.52 -0.92 0.00 0.00 175.35 175.85 2kb0 s TYR 154 N -3.22 1.04 -0.00 3.18 1.13 -1.26 -2.51 117.35 115.70 2kb0 s TYR 154 Ca -0.01 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.25 2kb0 s TYR 154 Cb 0.01 -0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 40.26 2kb0 s TYR 154 CO -0.08 0.01 -0.08 0.08 -2.51 0.00 0.00 175.55 172.98 2kb0 s VAL 155 N -1.15 0.62 -0.25 -3.49 1.01 -0.32 -4.97 120.40 111.85 2kb0 s VAL 155 Ca -0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2kb0 s VAL 155 Cb -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2kb0 s VAL 155 CO 0.01 0.12 0.40 -1.61 0.00 0.00 0.00 175.10 174.03 2kb0 s GLU 156 N -0.32 4.08 -0.00 2.72 2.02 -1.26 -0.18 118.70 125.75 2kb0 s GLU 156 Ca 0.02 0.13 0.04 0.00 0.02 0.00 0.00 54.97 55.18 2kb0 s GLU 156 Cb -0.04 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 2kb0 s GLU 156 CO -0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 175.26 174.95 2kb0 s SER 158 N -0.38 4.28 0.16 0.00 0.15 -1.25 -3.24 113.70 113.41 2kb0 s SER 158 Ca 0.04 -0.89 -0.03 0.00 0.70 0.00 0.00 55.95 55.77 2kb0 s SER 158 Cb -0.05 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.62 2kb0 s SER 158 CO -0.00 -0.13 1.40 0.00 1.20 0.00 0.00 173.24 175.71 2kb0 h ALA 159 N 8.00 0.52 -0.78 5.45 0.00 -1.92 -0.80 119.26 129.74 2kb0 h ALA 159 Ca -0.32 -0.62 0.21 0.00 0.00 0.00 0.00 54.91 54.17 2kb0 h ALA 159 Cb 1.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kb0 h ALA 159 CO 0.57 0.76 0.55 1.25 0.00 0.00 0.00 179.25 182.39 2kb0 h LEU 160 N 0.30 0.08 -9.07 0.00 5.85 -1.98 -3.39 115.31 107.10 2kb0 h LEU 160 Ca -0.04 0.01 -0.66 0.00 0.84 0.00 0.00 57.88 58.02 2kb0 h LEU 160 Cb 1.36 -0.01 -0.19 0.00 0.37 0.00 0.00 40.66 42.20 2kb0 h LEU 160 CO 0.14 0.04 -0.81 -0.89 -0.34 0.00 0.00 178.44 176.57 2kb0 s THR 161 N -5.08 2.61 -1.74 1.05 2.01 -1.11 -4.92 115.64 108.45 2kb0 s THR 161 Ca -0.06 -1.76 0.00 0.00 0.31 0.00 0.00 61.69 60.18 2kb0 s THR 161 Cb 0.21 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2kb0 s THR 161 CO 0.76 -0.01 0.27 1.67 -0.69 0.00 0.00 174.62 176.63 2kb0 n GLN 162 N 0.52 0.31 -0.08 4.92 7.27 -1.26 -2.61 117.38 126.45 2kb0 n GLN 162 Ca -0.14 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.03 2kb0 n GLN 162 Cb 0.54 -1.04 0.37 0.00 2.41 0.00 0.00 30.24 32.52 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2kb0 n LYS 163 N -0.28 1.70 -0.10 3.69 5.02 -1.24 -3.68 118.16 123.26 2kb0 n LYS 163 Ca 0.00 -1.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.04 2kb0 n LYS 163 Cb 0.02 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2kb0 h GLY 164 N 5.05 0.00 1.26 0.72 0.00 -0.89 -3.31 103.07 105.90 2kb0 h GLY 164 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2kb0 h GLY 164 CO 0.00 0.00 -0.48 1.41 0.00 0.00 0.00 176.54 177.47 2kb0 h LEU 165 N -1.00 0.86 -2.06 3.11 3.38 -1.82 -2.97 115.31 114.81 2kb0 h LEU 165 Ca -0.29 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 2kb0 h LEU 165 Cb 1.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2kb0 h LEU 165 CO -0.18 1.20 -0.01 0.11 0.09 0.00 0.00 178.44 179.65 2kb0 h LYS 166 N 0.63 0.00 -0.00 1.13 1.57 -1.76 0.51 116.57 118.65 2kb0 h LYS 166 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2kb0 h LYS 166 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2kb0 h LYS 166 CO 0.10 0.01 -0.05 -0.97 -0.57 0.00 0.00 179.45 177.97 2kb0 h ASN 167 N 0.00 0.05 0.77 0.86 -0.73 -1.61 -3.24 115.58 111.68 2kb0 h ASN 167 Ca -0.00 -0.78 0.00 0.00 1.87 0.00 0.00 56.30 57.39 2kb0 h ASN 167 Cb 0.02 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2kb0 h ASN 167 CO 0.00 0.82 0.00 0.52 -0.37 0.00 0.00 177.43 178.40 2kb0 n VAL 168 N -4.67 0.07 -0.04 2.57 0.31 -1.01 -3.77 118.33 111.80 2kb0 n VAL 168 Ca -0.09 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 2kb0 n VAL 168 Cb 0.41 -0.54 -0.11 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.01 -0.42 3.52 3.57 -0.02 -1.77 116.94 121.81 2kb0 h PHE 169 Ca 0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kb0 h PHE 169 Cb 0.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2kb0 h PHE 169 CO 0.00 0.71 0.26 0.22 -2.23 0.00 0.00 178.31 177.27 2kb0 h ASP 170 N -0.76 0.50 0.09 0.41 3.58 -1.65 -2.26 116.42 116.34 2kb0 h ASP 170 Ca -0.00 -0.05 -0.09 0.00 0.42 0.00 0.00 57.03 57.31 2kb0 h ASP 170 Cb 0.73 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 2kb0 h ASP 170 CO 0.00 0.40 -0.29 -0.08 -2.88 0.00 0.00 179.24 176.39 2kb0 h GLU 171 N 0.56 0.31 -0.62 0.28 4.81 -1.67 -2.71 114.58 115.54 2kb0 h GLU 171 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2kb0 h GLU 171 Cb -0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2kb0 h GLU 171 CO -0.03 0.57 0.34 0.00 -0.73 0.00 0.00 179.01 179.17 2kb0 h ALA 172 N 1.43 1.44 -0.15 2.92 0.00 -0.74 -2.14 119.26 122.02 2kb0 h ALA 172 Ca 0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2kb0 h ALA 172 Cb 0.65 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kb0 h ALA 172 CO 0.05 0.47 -0.56 0.82 0.00 0.00 0.00 179.25 180.03 2kb0 h ILE 173 N 0.86 1.33 -0.58 0.00 2.04 -1.17 -2.73 117.51 117.26 2kb0 h ILE 173 Ca 0.22 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.31 2kb0 h ILE 173 Cb 0.01 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2kb0 h ILE 173 CO -0.04 0.56 0.32 0.25 0.00 0.00 0.00 178.15 179.25 2kb0 h LEU 174 N 0.31 0.49 -1.13 1.44 5.85 -1.23 -1.52 115.31 119.52 2kb0 h LEU 174 Ca -0.03 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2kb0 h LEU 174 Cb 1.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2kb0 h LEU 174 CO 0.12 0.33 -0.20 0.00 -0.34 0.00 0.00 178.44 178.35 2kb0 h ALA 175 N 1.29 1.27 -0.56 1.25 0.00 -1.42 -2.60 119.26 118.50 2kb0 h ALA 175 Ca 0.25 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kb0 h ALA 175 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2kb0 h ALA 175 CO -0.15 0.48 0.37 0.00 0.00 0.00 0.00 179.25 179.95 2kb0 h ALA 176 N 1.46 1.77 -0.99 0.00 0.00 -0.95 -0.92 119.26 119.63 2kb0 h ALA 176 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kb0 h ALA 176 Cb 0.54 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2kb0 h ALA 176 CO 0.04 0.15 0.65 -0.07 0.00 0.00 0.00 179.25 180.02 2kb0 h LEU 177 N 0.59 1.13 0.00 0.00 3.38 -1.25 -3.52 115.31 115.65 2kb0 h LEU 177 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kb0 h LEU 177 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kb0 h LEU 177 CO -0.06 0.82 0.00 -0.62 0.09 0.00 0.00 178.44 178.66