#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 -1.82 -4.65 0.03 7.27 -1.26 -4.90 117.38 112.05 2kb0 n GLN 2 Ca 0.00 0.57 -0.26 0.00 0.07 0.00 0.00 57.00 57.38 2kb0 n GLN 2 Cb 0.00 -4.98 -0.14 0.00 2.41 0.00 0.00 30.24 27.53 2kb0 n GLN 2 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2kb0 s THR 3 N -2.25 1.75 -0.28 1.69 2.01 -1.26 -3.96 115.64 113.35 2kb0 s THR 3 Ca 0.00 -1.26 -0.06 0.00 0.31 0.00 0.00 61.69 60.68 2kb0 s THR 3 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 71.00 2kb0 s THR 3 CO 0.00 0.21 0.05 -0.63 -0.69 0.00 0.00 174.62 173.55 2kb0 s ILE 4 N -0.83 3.72 -0.18 1.82 -1.09 -0.81 -5.00 121.20 118.83 2kb0 s ILE 4 Ca 0.08 -0.75 -0.27 0.00 -2.23 0.00 0.00 60.65 57.49 2kb0 s ILE 4 Cb -0.09 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 2kb0 s ILE 4 CO 0.02 0.12 0.90 -0.75 -1.23 0.00 0.00 174.94 174.00 2kb0 s LYS 5 N 1.46 4.29 -0.10 2.79 2.20 -1.26 -0.85 119.74 128.27 2kb0 s LYS 5 Ca 0.02 1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 56.76 2kb0 s LYS 5 Cb -0.17 -3.59 0.03 0.00 -1.51 0.00 0.00 37.83 32.59 2kb0 s LYS 5 CO 0.01 -0.42 -0.03 0.00 -0.36 0.00 0.00 175.35 174.55 2kb0 s VAL 7 N 1.84 3.79 -0.11 0.00 1.01 -1.25 -2.99 120.40 122.67 2kb0 s VAL 7 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2kb0 s VAL 7 Cb -0.13 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2kb0 s VAL 7 CO -0.07 0.59 -0.15 -0.69 0.00 0.00 0.00 175.10 174.78 2kb0 s VAL 8 N -0.68 2.89 -0.28 2.92 1.01 -1.25 -3.33 120.40 121.68 2kb0 s VAL 8 Ca 0.10 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2kb0 s VAL 8 Cb -0.11 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.19 2kb0 s VAL 8 CO 0.02 0.54 0.97 0.54 0.00 0.00 0.00 175.10 177.16 2kb0 s VAL 9 N 0.19 0.00 0.19 2.92 0.11 -1.21 -4.87 120.40 117.74 2kb0 s VAL 9 Ca -0.09 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 2kb0 s VAL 9 Cb -0.15 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2kb0 s VAL 9 CO 0.05 0.00 0.48 -0.83 -3.33 0.00 0.00 175.10 171.48 2kb0 s GLY 10 N 0.37 0.03 -1.11 6.54 0.00 -1.26 -3.70 107.32 108.18 2kb0 s GLY 10 Ca 0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 44.72 44.16 2kb0 s GLY 10 CO -0.06 -0.37 1.53 -0.35 0.00 0.00 0.00 173.10 173.85 2kb0 s ASP 11 N -2.90 6.63 0.00 1.64 2.15 -1.22 -4.62 116.67 118.36 2kb0 s ASP 11 Ca 0.11 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.24 2kb0 s ASP 11 Cb -0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2kb0 s ASP 11 CO -0.02 -1.36 0.00 0.61 -0.17 0.00 0.00 175.17 174.23 2kb0 n GLY 12 N 6.27 -1.25 0.00 2.66 0.00 -1.26 -4.72 105.19 106.88 2kb0 n GLY 12 Ca 0.38 0.80 0.12 0.00 0.00 0.00 0.00 46.02 47.31 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 0.00 2.22 0.37 4.61 0.00 -1.26 -2.92 120.51 123.53 2kb0 n ALA 13 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2kb0 n ALA 13 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 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 0.00 0.18 -0.27 0.00 2.07 -1.97 -3.25 116.25 113.01 2kb0 h VAL 14 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kb0 h VAL 14 Cb 0.21 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2kb0 h VAL 14 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2kb0 n GLY 15 N -1.54 3.59 0.31 2.17 0.00 -1.25 -4.63 105.19 103.84 2kb0 n GLY 15 Ca -0.13 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 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 1.74 1.06 -0.31 1.61 3.64 -1.56 -2.32 116.57 120.43 2kb0 h LYS 16 Ca 0.00 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 2kb0 h LYS 16 Cb 1.14 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2kb0 h LYS 16 CO 0.13 0.88 -0.18 1.79 -2.27 0.00 0.00 179.45 179.80 2kb0 h THR 17 N 1.02 1.29 0.00 1.00 1.35 -1.82 -2.97 112.91 112.78 2kb0 h THR 17 Ca 0.24 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 2kb0 h THR 17 Cb 0.22 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kb0 h THR 17 CO -0.02 0.42 -0.08 0.00 -0.25 0.00 0.00 175.52 175.59 2kb0 h LEU 19 N 0.00 0.69 -0.47 0.00 5.85 -1.25 0.91 115.31 121.04 2kb0 h LEU 19 Ca -0.00 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.28 2kb0 h LEU 19 Cb 0.16 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2kb0 h LEU 19 CO 0.01 0.84 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.69 2kb0 h LEU 20 N 0.53 0.98 -0.30 2.25 3.38 -1.45 -3.13 115.31 117.57 2kb0 h LEU 20 Ca 0.11 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2kb0 h LEU 20 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2kb0 h LEU 20 CO 0.02 1.15 -0.09 0.40 0.09 0.00 0.00 178.44 180.01 2kb0 h ILE 21 N 0.80 1.28 -1.00 1.22 2.04 -1.31 -0.60 117.51 119.94 2kb0 h ILE 21 Ca 0.11 -1.14 0.25 0.00 1.00 0.00 0.00 64.86 65.08 2kb0 h ILE 21 Cb 0.76 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 2kb0 h ILE 21 CO 0.06 0.37 0.66 0.28 0.00 0.00 0.00 178.15 179.52 2kb0 h SER 22 N 0.35 0.37 0.02 1.72 0.02 -0.76 0.19 113.55 115.46 2kb0 h SER 22 Ca 0.07 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.84 2kb0 h SER 22 Cb 0.58 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2kb0 h SER 22 CO 0.03 0.10 -1.33 0.22 -1.14 0.00 0.00 176.83 174.71 2kb0 h TYR 23 N 0.34 0.08 -0.83 3.45 3.20 -1.48 -2.37 116.97 119.36 2kb0 h TYR 23 Ca 0.54 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.41 2kb0 h TYR 23 Cb 1.48 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.69 2kb0 h TYR 23 CO -0.00 1.52 0.51 1.15 -1.64 0.00 0.00 178.16 179.70 2kb0 h THR 24 N -0.84 1.05 0.00 1.81 2.02 -0.60 -3.38 112.91 112.98 2kb0 h THR 24 Ca -0.35 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2kb0 h THR 24 Cb 1.41 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2kb0 h THR 24 CO -0.16 0.17 0.00 0.35 0.37 0.00 0.00 175.52 176.25 2kb0 n THR 25 N -4.63 0.00 -0.49 3.16 -2.24 0.22 -5.07 114.28 105.22 2kb0 n THR 25 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2kb0 n THR 25 Cb 0.16 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.36 0.00 3.42 3.02 0.41 -4.98 115.26 115.77 2kb0 n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kb0 n ASN 26 Cb 0.00 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 2kb0 n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2kb0 n LYS 27 N 0.96 0.00 -0.24 3.52 5.02 -1.26 -4.81 118.16 121.35 2kb0 n LYS 27 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2kb0 n LYS 27 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 2kb0 n LYS 27 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2kb0 h PHE 28 N 0.00 0.94 -0.93 2.13 0.04 -1.90 -2.87 116.94 114.35 2kb0 h PHE 28 Ca 0.00 -0.04 0.10 0.00 2.80 0.00 0.00 57.97 60.83 2kb0 h PHE 28 Cb 0.00 -0.29 -0.07 0.00 2.20 0.00 0.00 35.95 37.79 2kb0 h PHE 28 CO 0.00 0.70 0.60 -1.35 -0.60 0.00 0.00 178.31 177.65 2kb0 h PRO 29 N 0.91 0.89 0.00 1.51 0.11 -1.96 -3.45 132.00 130.01 2kb0 h PRO 29 Ca 0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2kb0 h PRO 29 Cb 0.10 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2kb0 h PRO 29 CO -0.03 0.59 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 2kb0 n SER 30 N -4.55 0.00 0.00 -2.05 3.41 -1.08 -4.73 113.62 104.61 2kb0 n SER 30 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2kb0 n SER 30 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.00 0.00 -4.00 4.33 1.02 -1.26 -4.48 120.64 116.25 2kb0 n GLU 31 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2kb0 n GLU 31 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 0.00 3.09 0.67 -0.32 5.04 -1.26 -5.09 117.35 119.48 2kb0 s TYR 32 Ca 0.00 -0.34 -0.16 0.00 -2.44 0.00 0.00 57.07 54.12 2kb0 s TYR 32 Cb 0.00 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 40.20 2kb0 s TYR 32 CO 0.00 -0.19 1.19 0.14 -1.34 0.00 0.00 175.55 175.35 2kb0 s VAL 33 N 1.02 2.56 0.27 3.14 -7.23 -1.26 -4.91 120.40 113.99 2kb0 s VAL 33 Ca 0.03 0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 2kb0 s VAL 33 Cb -0.14 -2.92 -0.13 0.00 0.56 0.00 0.00 36.38 33.74 2kb0 s VAL 33 CO 0.02 -0.13 1.40 -0.81 -0.31 0.00 0.00 175.10 175.27 2kb0 n PRO 34 N -2.31 2.13 0.19 4.82 -0.04 -1.26 -4.88 135.00 133.65 2kb0 n PRO 34 Ca 0.13 0.76 0.04 0.00 -0.04 0.00 0.00 63.50 64.39 2kb0 n PRO 34 Cb 0.50 -2.41 0.46 0.00 -0.04 0.00 0.00 33.50 32.02 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 3.84 1.63 -2.67 0.55 0.00 -2.05 -3.43 119.26 117.13 2kb0 h ALA 35 Ca -0.45 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 53.97 2kb0 h ALA 35 Cb 1.27 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 2kb0 h ALA 35 CO 0.73 0.27 -0.73 0.14 0.00 0.00 0.00 179.25 179.66 2kb0 s VAL 36 N -4.66 0.87 -0.61 0.00 -7.23 -1.26 -5.10 120.40 102.41 2kb0 s VAL 36 Ca -0.04 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2kb0 s VAL 36 Cb 0.16 -1.36 0.16 0.00 0.56 0.00 0.00 36.38 35.90 2kb0 s VAL 36 CO 0.71 -0.60 0.47 -0.36 -0.31 0.00 0.00 175.10 175.01 2kb0 s PHE 37 N -2.56 3.50 0.08 2.82 0.08 -1.26 -5.05 117.98 115.59 2kb0 s PHE 37 Ca 0.05 -2.24 0.09 0.00 0.12 0.00 0.00 56.93 54.95 2kb0 s PHE 37 Cb -0.02 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.95 2kb0 s PHE 37 CO -0.01 -0.94 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.44 2kb0 s ASP 38 N 1.77 2.76 0.51 1.36 1.01 -1.26 -4.87 116.67 117.95 2kb0 s ASP 38 Ca 0.13 -0.64 -0.20 0.00 0.71 0.00 0.00 52.55 52.54 2kb0 s ASP 38 Cb -0.20 -0.19 -0.07 0.00 1.01 0.00 0.00 42.92 43.47 2kb0 s ASP 38 CO -0.04 0.14 1.12 0.20 0.21 0.00 0.00 175.17 176.80 2kb0 s ASN 39 N -1.64 5.94 0.07 0.27 0.01 -1.26 -5.03 114.94 113.30 2kb0 s ASN 39 Ca 0.09 2.17 0.09 0.00 -0.71 0.00 0.00 52.86 54.50 2kb0 s ASN 39 Cb -0.10 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 2kb0 s ASN 39 CO 0.04 -1.07 -0.25 -0.31 -1.51 0.00 0.00 177.10 174.00 2kb0 s TYR 40 N -1.75 2.18 0.06 2.20 2.02 -1.25 -5.07 117.35 115.75 2kb0 s TYR 40 Ca 0.70 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 57.07 2kb0 s TYR 40 Cb -0.24 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 2kb0 s TYR 40 CO 0.28 0.18 -0.17 0.00 -1.57 0.00 0.00 175.55 174.27 2kb0 s ALA 41 N -0.90 2.67 0.00 3.71 0.00 -1.26 -3.26 121.76 122.73 2kb0 s ALA 41 Ca 0.11 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2kb0 s ALA 41 Cb -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2kb0 s ALA 41 CO 0.03 0.59 -0.06 0.54 0.00 0.00 0.00 175.76 176.86 2kb0 s VAL 42 N -1.00 0.44 -0.13 0.00 0.11 -1.08 -5.01 120.40 113.73 2kb0 s VAL 42 Ca 0.16 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.71 2kb0 s VAL 42 Cb -0.11 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2kb0 s VAL 42 CO 0.07 0.02 0.23 -0.89 -3.33 0.00 0.00 175.10 171.20 2kb0 s THR 43 N -0.36 5.35 -0.05 5.04 2.01 -1.26 -1.18 115.64 125.19 2kb0 s THR 43 Ca -0.00 0.41 0.06 0.00 0.31 0.00 0.00 61.69 62.47 2kb0 s THR 43 Cb -0.04 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2kb0 s THR 43 CO -0.00 0.50 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.49 2kb0 s VAL 44 N -0.24 1.98 -0.09 3.82 1.01 -0.71 -4.91 120.40 121.25 2kb0 s VAL 44 Ca 0.15 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2kb0 s VAL 44 Cb -0.13 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2kb0 s VAL 44 CO 0.04 0.55 0.04 -0.32 0.00 0.00 0.00 175.10 175.41 2kb0 s MET 45 N -0.27 3.10 0.03 2.72 1.75 -1.26 -2.09 119.30 123.29 2kb0 s MET 45 Ca 0.00 -0.33 0.09 0.00 -1.25 0.00 0.00 55.69 54.20 2kb0 s MET 45 Cb -0.12 -2.90 -0.03 0.00 2.84 0.00 0.00 34.83 34.62 2kb0 s MET 45 CO 0.02 0.72 -0.26 0.42 -0.65 0.00 0.00 175.02 175.28 2kb0 s ILE 46 N -0.93 2.16 0.52 10.11 1.01 -1.23 -4.95 121.20 127.89 2kb0 s ILE 46 Ca 0.14 -1.30 0.33 0.00 0.00 0.00 0.00 60.65 59.82 2kb0 s ILE 46 Cb -0.12 -1.81 0.52 0.00 0.01 0.00 0.00 42.46 41.06 2kb0 s ILE 46 CO 0.03 0.43 1.81 1.23 0.00 0.00 0.00 174.94 178.44 2kb0 h GLY 47 N 4.97 0.18 0.00 6.18 0.00 -2.03 -3.19 103.07 109.18 2kb0 h GLY 47 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2kb0 h GLY 47 CO 0.45 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2kb0 n GLY 48 N -1.72 0.35 3.38 4.60 0.00 -1.26 -4.99 105.19 105.56 2kb0 n GLY 48 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.42 0.29 1.61 2.02 -1.21 -5.12 118.70 117.72 2kb0 s GLU 49 Ca 0.00 -1.53 -0.29 0.00 0.02 0.00 0.00 54.97 53.16 2kb0 s GLU 49 Cb 0.00 -1.51 -0.10 0.00 0.10 0.00 0.00 34.13 32.62 2kb0 s GLU 49 CO 0.00 0.30 1.30 -1.25 0.02 0.00 0.00 175.26 175.63 2kb0 s PRO 50 N -3.02 4.38 0.10 0.39 0.04 -1.26 -3.50 135.00 132.13 2kb0 s PRO 50 Ca 0.21 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 2kb0 s PRO 50 Cb -0.05 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 2kb0 s PRO 50 CO 0.09 -0.18 0.07 0.71 0.04 0.00 0.00 177.00 177.73 2kb0 s TYR 51 N -0.78 0.60 0.21 0.56 2.02 -0.89 -4.94 117.35 114.13 2kb0 s TYR 51 Ca 0.51 -1.04 0.11 0.00 -0.37 0.00 0.00 57.07 56.28 2kb0 s TYR 51 Cb -0.39 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2kb0 s TYR 51 CO 0.48 -0.50 -0.20 0.95 -1.57 0.00 0.00 175.55 174.71 2kb0 s THR 52 N -3.97 2.55 -0.20 -0.71 -4.23 -1.25 -1.73 115.64 106.09 2kb0 s THR 52 Ca 0.15 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2kb0 s THR 52 Cb 0.07 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.67 2kb0 s THR 52 CO -0.04 -0.19 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.47 2kb0 s LEU 53 N -2.92 2.48 -0.19 4.79 2.96 -0.32 -1.92 118.68 123.56 2kb0 s LEU 53 Ca 0.24 -0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 53.22 2kb0 s LEU 53 Cb -0.07 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2kb0 s LEU 53 CO 0.12 -0.04 0.51 -0.83 -1.32 0.00 0.00 176.35 174.80 2kb0 s GLY 54 N 1.29 2.10 -0.23 7.98 0.00 -0.03 -2.65 107.32 115.78 2kb0 s GLY 54 Ca 0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 44.72 44.30 2kb0 s GLY 54 CO -0.10 1.05 0.03 -2.27 0.00 0.00 0.00 173.10 171.81 2kb0 s LEU 55 N 1.55 3.29 0.11 0.66 1.98 -1.20 -1.29 118.68 123.78 2kb0 s LEU 55 Ca 0.24 -0.23 0.10 0.00 -2.89 0.00 0.00 54.13 51.35 2kb0 s LEU 55 Cb -0.15 -1.86 -0.04 0.00 0.66 0.00 0.00 46.19 44.80 2kb0 s LEU 55 CO 0.10 0.00 -0.25 -0.36 -1.89 0.00 0.00 176.35 173.95 2kb0 s PHE 56 N 1.37 2.18 0.09 5.38 0.08 -1.16 -3.80 117.98 122.12 2kb0 s PHE 56 Ca 0.05 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 2kb0 s PHE 56 Cb -0.15 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 2kb0 s PHE 56 CO 0.02 0.28 0.41 0.34 -0.10 0.00 0.00 175.22 176.17 2kb0 s ASP 57 N -1.93 -0.26 0.52 1.36 2.15 -1.26 -3.76 116.67 113.50 2kb0 s ASP 57 Ca 0.12 -0.19 -0.18 0.00 0.43 0.00 0.00 52.55 52.73 2kb0 s ASP 57 Cb -0.10 0.46 -0.07 0.00 -0.30 0.00 0.00 42.92 42.91 2kb0 s ASP 57 CO 0.05 -0.78 1.03 0.42 -0.17 0.00 0.00 175.17 175.72 2kb0 s THR 58 N -3.28 3.94 0.00 1.71 -4.23 -1.26 -4.89 115.64 107.63 2kb0 s THR 58 Ca -0.00 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 2kb0 s THR 58 Cb 0.01 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2kb0 s THR 58 CO -0.08 -0.40 0.00 0.00 -0.54 0.00 0.00 174.62 173.60 2kb0 n ALA 59 N -1.40 0.00 0.01 3.99 0.00 -1.26 -4.91 120.51 116.93 2kb0 n ALA 59 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 2kb0 n ALA 59 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2kb0 n ALA 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kb0 h GLY 60 N -0.01 -0.16 -4.36 0.00 0.00 -1.97 -3.40 103.07 93.18 2kb0 h GLY 60 Ca 0.00 0.23 -0.53 0.00 0.00 0.00 0.00 47.33 47.03 2kb0 h GLY 60 CO 0.00 -0.17 0.87 1.20 0.00 0.00 0.00 176.54 178.44 2kb0 s GLN 61 N -6.12 4.16 -0.04 4.80 -0.21 -1.26 -4.89 119.66 116.10 2kb0 s GLN 61 Ca -0.15 2.50 -0.01 0.00 0.02 0.00 0.00 55.36 57.72 2kb0 s GLN 61 Cb 0.10 -3.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 2kb0 s GLN 61 CO 0.67 -0.60 -0.04 0.39 -2.12 0.00 0.00 175.29 173.59 2kb0 n GLU 62 N 2.62 0.10 -0.04 2.91 4.71 -1.26 -4.82 120.64 124.87 2kb0 n GLU 62 Ca 0.09 0.03 -0.01 0.00 -0.01 0.00 0.00 57.16 57.26 2kb0 n GLU 62 Cb 0.38 -0.95 -0.01 0.00 -1.01 0.00 0.00 31.44 29.85 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2kb0 n ASP 63 N -2.81 -0.10 -0.27 1.62 8.00 -1.26 0.23 116.55 121.96 2kb0 n ASP 63 Ca -0.08 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2kb0 n ASP 63 Cb 0.57 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2kb0 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kb0 n TYR 64 N -2.88 0.00 1.39 1.24 4.11 -1.26 -2.25 117.16 117.51 2kb0 n TYR 64 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.02 2kb0 n TYR 64 Cb 0.02 0.00 0.46 0.00 -0.00 0.00 0.00 39.34 39.83 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 2kb0 n ASP 65 N 0.04 1.51 -0.18 9.48 5.68 0.63 -4.01 116.55 129.70 2kb0 n ASP 65 Ca 0.00 -1.59 0.01 0.00 -0.50 0.00 0.00 54.79 52.71 2kb0 n ASP 65 Cb 0.00 -0.05 0.27 0.00 -1.14 0.00 0.00 41.12 40.19 2kb0 n ASP 65 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2kb0 h ARG 66 N 2.17 0.91 -6.29 0.11 2.43 -1.65 -3.47 114.38 108.59 2kb0 h ARG 66 Ca 0.00 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 58.78 2kb0 h ARG 66 Cb 0.47 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2kb0 h ARG 66 CO 0.00 0.62 -0.81 1.28 -1.51 0.00 0.00 179.97 179.55 2kb0 n LEU 67 N -4.42 -3.58 -4.48 3.80 4.77 -1.26 -4.89 117.00 106.94 2kb0 n LEU 67 Ca 0.07 -0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 55.24 2kb0 n LEU 67 Cb 0.05 -2.15 0.26 0.00 -2.33 0.00 0.00 43.42 39.24 2kb0 n LEU 67 CO 0.36 -0.22 0.52 -0.13 -1.33 0.00 0.00 177.39 176.59 2kb0 s ARG 68 N -3.95 -1.00 0.06 3.23 0.52 -1.26 -4.71 118.95 111.84 2kb0 s ARG 68 Ca 0.07 0.83 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 2kb0 s ARG 68 Cb -0.01 -1.54 0.07 0.00 0.52 0.00 0.00 34.95 33.99 2kb0 s ARG 68 CO 0.85 -3.78 0.73 -2.30 0.02 0.00 0.00 175.30 170.82 2kb0 n PRO 69 N -4.95 0.01 -0.16 3.54 -0.02 -1.26 -1.46 135.00 130.70 2kb0 n PRO 69 Ca 0.03 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.68 2kb0 n PRO 69 Cb 0.54 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.37 -8.45 2.45 5.85 -1.98 -3.41 115.31 110.13 2kb0 h LEU 70 Ca 0.00 0.02 -0.58 0.00 0.84 0.00 0.00 57.88 58.17 2kb0 h LEU 70 Cb 0.76 -0.05 -0.28 0.00 0.37 0.00 0.00 40.66 41.47 2kb0 h LEU 70 CO 0.00 0.26 -0.84 -0.94 -0.34 0.00 0.00 178.44 176.58 2kb0 s SER 71 N -5.50 2.34 -0.44 1.25 1.04 -0.53 -5.09 113.70 106.77 2kb0 s SER 71 Ca -0.13 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 55.91 2kb0 s SER 71 Cb 0.13 -0.23 0.17 0.00 0.10 0.00 0.00 66.02 66.20 2kb0 s SER 71 CO 0.73 0.20 0.36 0.00 0.98 0.00 0.00 173.24 175.51 2kb0 n TYR 72 N 2.24 -0.52 -1.64 5.02 9.36 -1.26 -4.61 117.16 125.75 2kb0 n TYR 72 Ca -0.16 -3.40 -0.44 0.00 3.32 0.00 0.00 57.90 57.21 2kb0 n TYR 72 Cb 0.53 0.17 -0.02 0.00 -0.63 0.00 0.00 39.34 39.40 2kb0 n TYR 72 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2kb0 n PRO 73 N 2.73 1.73 -3.63 2.98 -0.02 -1.26 -4.96 135.00 132.57 2kb0 n PRO 73 Ca 0.29 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 62.01 2kb0 n PRO 73 Cb 0.47 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 2kb0 n PRO 73 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2kb0 s GLN 74 N -1.43 3.98 -0.12 -0.52 0.74 -1.26 -5.07 119.66 115.99 2kb0 s GLN 74 Ca 0.60 -0.31 0.01 0.00 0.05 0.00 0.00 55.36 55.71 2kb0 s GLN 74 Cb -0.65 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 29.85 2kb0 s GLN 74 CO 0.59 -0.08 -0.14 0.99 -0.55 0.00 0.00 175.29 176.10 2kb0 s THR 75 N 1.45 3.01 0.26 -0.34 2.01 -1.26 -5.00 115.64 115.76 2kb0 s THR 75 Ca 0.07 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 2kb0 s THR 75 Cb -0.15 -2.24 0.22 0.00 0.01 0.00 0.00 72.50 70.34 2kb0 s THR 75 CO 0.08 0.54 1.89 0.44 -0.69 0.00 0.00 174.62 176.88 2kb0 h ASP 76 N 6.48 1.03 -3.55 3.53 3.32 -1.96 -3.42 116.42 121.85 2kb0 h ASP 76 Ca -0.29 -0.08 -0.29 0.00 0.02 0.00 0.00 57.03 56.40 2kb0 h ASP 76 Cb 1.20 -0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.16 2kb0 h ASP 76 CO 0.54 0.81 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.46 2kb0 s VAL 77 N -5.81 -0.05 -0.22 -1.35 1.01 -1.25 -4.99 120.40 107.74 2kb0 s VAL 77 Ca -0.12 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2kb0 s VAL 77 Cb 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.44 2kb0 s VAL 77 CO 0.81 0.08 0.10 0.12 0.00 0.00 0.00 175.10 176.21 2kb0 s PHE 78 N 0.92 3.22 -0.05 5.22 5.36 -1.25 -3.90 117.98 127.49 2kb0 s PHE 78 Ca -0.08 0.00 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2kb0 s PHE 78 Cb -0.11 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2kb0 s PHE 78 CO -0.03 -0.02 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.19 2kb0 s LEU 79 N 0.97 3.44 -0.05 6.12 1.43 -1.21 -3.25 118.68 126.14 2kb0 s LEU 79 Ca 0.05 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2kb0 s LEU 79 Cb -0.14 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 2kb0 s LEU 79 CO 0.03 0.34 -0.18 -0.69 0.23 0.00 0.00 176.35 176.08 2kb0 s VAL 80 N -0.93 1.54 -0.09 -1.59 1.01 -1.10 -3.33 120.40 115.91 2kb0 s VAL 80 Ca 0.15 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2kb0 s VAL 80 Cb -0.11 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.96 2kb0 s VAL 80 CO 0.04 0.44 -0.12 0.00 0.00 0.00 0.00 175.10 175.46 2kb0 s PHE 82 N 0.99 1.17 0.05 0.00 -0.71 -1.25 -3.41 117.98 114.81 2kb0 s PHE 82 Ca -0.08 -1.13 0.01 0.00 -1.04 0.00 0.00 56.93 54.69 2kb0 s PHE 82 Cb -0.15 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 2kb0 s PHE 82 CO -0.00 -0.35 0.10 -1.12 -1.34 0.00 0.00 175.22 172.51 2kb0 s SER 83 N -3.16 5.71 -0.08 1.98 0.01 -1.26 -3.01 113.70 113.89 2kb0 s SER 83 Ca 0.27 0.09 0.16 0.00 1.31 0.00 0.00 55.95 57.78 2kb0 s SER 83 Cb 0.07 -1.61 0.55 0.00 0.21 0.00 0.00 66.02 65.24 2kb0 s SER 83 CO 0.06 0.20 1.46 0.55 0.41 0.00 0.00 173.24 175.92 2kb0 n VAL 84 N 0.66 1.61 0.72 3.43 3.14 -1.24 -4.32 118.33 122.33 2kb0 n VAL 84 Ca -0.09 -1.27 0.08 0.00 -2.96 0.00 0.00 64.34 60.10 2kb0 n VAL 84 Cb 0.52 0.19 -0.04 0.00 -1.06 0.00 0.00 33.84 33.46 2kb0 n VAL 84 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2kb0 n VAL 85 N 0.63 0.00 -3.85 1.55 0.24 -1.26 -3.49 118.33 112.15 2kb0 n VAL 85 Ca 0.20 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.95 2kb0 n VAL 85 Cb 0.73 1.12 -0.15 0.00 -1.47 0.00 0.00 33.84 34.06 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kb0 s SER 86 N -2.13 4.09 0.28 -1.34 0.01 -1.26 -4.82 113.70 108.54 2kb0 s SER 86 Ca 0.10 -1.60 0.02 0.00 1.31 0.00 0.00 55.95 55.78 2kb0 s SER 86 Cb 0.12 -1.10 0.65 0.00 0.21 0.00 0.00 66.02 65.90 2kb0 s SER 86 CO 0.50 -0.36 1.75 -0.65 0.41 0.00 0.00 173.24 174.89 2kb0 h PRO 87 N 7.95 0.58 -0.84 12.44 0.11 -1.89 0.92 132.00 151.28 2kb0 h PRO 87 Ca -0.12 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.04 2kb0 h PRO 87 Cb 1.04 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 2kb0 h PRO 87 CO 0.46 0.38 0.54 1.03 -0.21 0.00 0.00 178.00 180.21 2kb0 h SER 88 N 0.60 0.75 0.66 -2.05 0.87 -1.95 0.28 113.55 112.71 2kb0 h SER 88 Ca 0.53 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 61.04 2kb0 h SER 88 Cb 0.85 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2kb0 h SER 88 CO -0.42 0.46 -0.30 0.28 -0.53 0.00 0.00 176.83 176.32 2kb0 h SER 89 N 0.84 0.00 0.05 6.23 0.02 -1.17 -0.20 113.55 119.32 2kb0 h SER 89 Ca 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2kb0 h SER 89 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2kb0 h SER 89 CO -0.15 0.30 -0.02 0.15 -1.14 0.00 0.00 176.83 175.97 2kb0 h PHE 90 N 0.00 -0.06 -0.20 3.45 3.57 -0.13 -2.85 116.94 120.72 2kb0 h PHE 90 Ca -0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2kb0 h PHE 90 Cb 0.71 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2kb0 h PHE 90 CO 0.00 0.39 -0.42 0.93 -2.23 0.00 0.00 178.31 176.98 2kb0 h GLU 91 N -0.54 0.48 -0.64 1.11 5.08 -1.30 -2.90 114.58 115.87 2kb0 h GLU 91 Ca -0.01 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2kb0 h GLU 91 Cb 0.48 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2kb0 h GLU 91 CO 0.01 0.81 0.42 -0.97 -1.00 0.00 0.00 179.01 178.29 2kb0 h ASN 92 N 0.39 0.45 -0.56 1.42 -1.24 -1.01 -0.34 115.58 114.69 2kb0 h ASN 92 Ca 0.03 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 2kb0 h ASN 92 Cb 0.90 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.84 2kb0 h ASN 92 CO 0.08 0.27 0.26 0.58 -1.29 0.00 0.00 177.43 177.33 2kb0 h VAL 93 N 0.50 1.20 0.00 2.57 2.07 -1.28 -1.77 116.25 119.54 2kb0 h VAL 93 Ca 0.29 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2kb0 h VAL 93 Cb 0.49 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2kb0 h VAL 93 CO -0.09 0.25 -0.30 0.50 0.02 0.00 0.00 177.57 177.95 2kb0 h LYS 94 N 0.84 0.00 0.00 1.57 3.64 -1.22 -2.07 116.57 119.34 2kb0 h LYS 94 Ca 0.20 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 2kb0 h LYS 94 Cb 0.13 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2kb0 h LYS 94 CO -0.02 0.01 -0.77 1.49 -2.27 0.00 0.00 179.45 177.89 2kb0 h GLU 95 N 0.00 0.00 0.00 1.90 4.57 -0.40 -3.30 114.58 117.35 2kb0 h GLU 95 Ca -0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2kb0 h GLU 95 Cb 1.01 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2kb0 h GLU 95 CO 0.00 0.74 -1.59 1.63 -1.18 0.00 0.00 179.01 178.61 2kb0 n LYS 96 N -3.28 0.24 -0.02 1.92 5.02 -0.75 -4.54 118.16 116.74 2kb0 n LYS 96 Ca 0.01 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.50 2kb0 n LYS 96 Cb 0.84 -1.05 0.59 0.00 -0.02 0.00 0.00 35.03 35.38 2kb0 n LYS 96 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2kb0 n TRP 97 N -3.12 0.06 -0.07 2.13 7.02 -0.78 -3.27 117.44 119.40 2kb0 n TRP 97 Ca -0.20 -0.03 -0.10 0.00 -1.02 0.00 0.00 57.50 56.16 2kb0 n TRP 97 Cb 0.67 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.50 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 -0.23 0.81 -0.09 -0.99 0.31 -1.24 -4.54 118.33 112.35 2kb0 n VAL 98 Ca 0.18 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 2kb0 n VAL 98 Cb 0.24 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 2kb0 n VAL 98 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2kb0 n PRO 99 N -2.96 0.51 -0.07 5.55 -0.04 -1.26 -4.03 135.00 132.70 2kb0 n PRO 99 Ca -0.25 0.47 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2kb0 n PRO 99 Cb 0.76 -1.65 0.35 0.00 -0.04 0.00 0.00 33.50 32.91 2kb0 n PRO 99 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kb0 h GLU 100 N -1.00 0.69 0.00 0.54 4.39 -1.80 -1.72 114.58 115.69 2kb0 h GLU 100 Ca -0.17 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 2kb0 h GLU 100 Cb 0.91 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2kb0 h GLU 100 CO -0.10 0.49 -0.34 0.97 -1.16 0.00 0.00 179.01 178.87 2kb0 h ILE 101 N 0.70 1.13 -0.80 3.13 2.10 -1.78 -2.91 117.51 119.09 2kb0 h ILE 101 Ca 0.19 -1.21 0.02 0.00 1.08 0.00 0.00 64.86 64.94 2kb0 h ILE 101 Cb -0.02 1.67 -0.04 0.00 -1.09 0.00 0.00 36.82 37.34 2kb0 h ILE 101 CO -0.03 0.33 0.52 0.74 -1.08 0.00 0.00 178.15 178.63 2kb0 h THR 102 N 0.00 1.16 -0.33 2.19 2.02 -1.44 -1.10 112.91 115.41 2kb0 h THR 102 Ca -0.00 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.85 2kb0 h THR 102 Cb 0.65 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2kb0 h THR 102 CO 0.04 0.19 0.22 0.45 0.37 0.00 0.00 175.52 176.79 2kb0 h HIS 103 N 1.03 0.32 -0.66 3.16 3.86 -1.56 -1.59 115.15 119.72 2kb0 h HIS 103 Ca 0.31 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 2kb0 h HIS 103 Cb -0.05 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2kb0 h HIS 103 CO -0.02 0.19 0.26 0.45 0.86 0.00 0.00 177.93 179.67 2kb0 h HIS 104 N 0.33 1.00 0.00 2.45 -0.00 -1.27 -3.42 115.15 114.24 2kb0 h HIS 104 Ca 0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2kb0 h HIS 104 Cb 0.12 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 2kb0 h HIS 104 CO -0.00 0.78 0.00 0.00 -0.00 0.00 0.00 177.93 178.71 2kb0 n PRO 106 N -0.35 1.29 -2.80 0.00 -0.02 -1.26 -4.42 135.00 127.45 2kb0 n PRO 106 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.08 2kb0 n PRO 106 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 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 -0.57 4.75 0.27 -0.52 1.02 -1.26 -4.89 119.74 118.53 2kb0 s LYS 107 Ca 0.00 1.40 0.02 0.00 0.02 0.00 0.00 55.97 57.41 2kb0 s LYS 107 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2kb0 s LYS 107 CO 0.00 0.44 0.06 0.95 -0.92 0.00 0.00 175.35 175.88 2kb0 s THR 108 N -0.80 0.83 -0.99 2.17 -4.23 -1.26 -5.04 115.64 106.31 2kb0 s THR 108 Ca 0.41 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.63 2kb0 s THR 108 Cb -0.24 -2.59 -0.23 0.00 1.34 0.00 0.00 72.50 70.77 2kb0 s THR 108 CO 0.30 -0.09 2.64 -2.65 -0.54 0.00 0.00 174.62 174.27 2kb0 n PRO 109 N -0.50 0.02 -4.36 3.99 -0.02 -1.26 -4.88 135.00 127.98 2kb0 n PRO 109 Ca -0.02 -0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 2kb0 n PRO 109 Cb 0.66 -1.48 -0.12 0.00 -0.02 0.00 0.00 33.50 32.53 2kb0 n PRO 109 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kb0 s PHE 110 N 8.09 3.01 -0.15 6.00 5.36 -1.26 -3.84 117.98 135.20 2kb0 s PHE 110 Ca 1.35 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.98 2kb0 s PHE 110 Cb -1.20 -1.97 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 2kb0 s PHE 110 CO 0.49 -0.09 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.78 2kb0 s LEU 111 N 0.48 2.10 -0.26 6.12 2.96 -1.20 -2.32 118.68 126.56 2kb0 s LEU 111 Ca -0.03 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.18 2kb0 s LEU 111 Cb -0.14 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2kb0 s LEU 111 CO 0.03 0.06 0.12 -0.22 -1.32 0.00 0.00 176.35 175.02 2kb0 s LEU 112 N 0.91 3.68 -0.12 -0.68 2.96 -1.19 -2.72 118.68 121.51 2kb0 s LEU 112 Ca -0.05 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2kb0 s LEU 112 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2kb0 s LEU 112 CO -0.04 -0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.23 2kb0 s VAL 113 N 1.62 3.93 -0.39 1.68 1.01 -1.08 -1.93 120.40 125.25 2kb0 s VAL 113 Ca 0.06 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2kb0 s VAL 113 Cb -0.15 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2kb0 s VAL 113 CO 0.06 0.54 0.78 -0.83 0.00 0.00 0.00 175.10 175.65 2kb0 s GLY 114 N -0.18 1.64 0.05 4.51 0.00 0.72 -3.95 107.32 110.12 2kb0 s GLY 114 Ca 0.03 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2kb0 s GLY 114 CO 0.02 1.75 0.13 -1.59 0.00 0.00 0.00 173.10 173.41 2kb0 s THR 115 N 3.14 4.91 -1.22 0.90 2.01 -1.16 -0.03 115.64 124.19 2kb0 s THR 115 Ca 0.30 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 2kb0 s THR 115 Cb -0.13 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.04 2kb0 s THR 115 CO 0.19 0.19 0.87 0.00 -0.69 0.00 0.00 174.62 175.18 2kb0 n GLN 116 N 0.59 -6.06 0.00 4.92 6.02 -1.21 -3.71 117.38 117.93 2kb0 n GLN 116 Ca -0.09 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2kb0 n GLN 116 Cb 0.52 -5.41 0.00 0.00 1.02 0.00 0.00 30.24 26.37 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 -4.57 0.00 -1.26 5.09 -5.35 -1.25 -3.06 119.36 108.96 2kb0 n ILE 117 Ca -0.02 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.35 2kb0 n ILE 117 Cb 0.57 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.42 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2kb0 n ASP 118 N -1.61 -3.44 -3.57 7.28 8.00 -1.26 -3.03 116.55 118.92 2kb0 n ASP 118 Ca 0.00 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 2kb0 n ASP 118 Cb 0.00 -3.07 -0.04 0.00 -0.02 0.00 0.00 41.12 37.99 2kb0 n ASP 118 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2kb0 n LEU 119 N -1.58 -0.42 -1.67 0.64 7.94 -1.17 0.37 117.00 121.11 2kb0 n LEU 119 Ca -0.11 -0.70 -0.15 0.00 -1.11 0.00 0.00 56.01 53.94 2kb0 n LEU 119 Cb 0.41 -0.86 -0.05 0.00 0.53 0.00 0.00 43.42 43.45 2kb0 n LEU 119 CO 0.17 0.29 -0.15 0.54 -1.11 0.00 0.00 177.39 177.13 2kb0 n ARG 120 N -2.99 -1.50 -3.89 1.96 1.74 -1.17 -3.11 116.66 107.70 2kb0 n ARG 120 Ca -0.15 0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 57.47 2kb0 n ARG 120 Cb 0.36 -5.20 0.01 0.00 -1.02 0.00 0.00 32.46 26.61 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 -0.98 -2.77 -3.62 0.55 2.03 1.20 -4.88 116.55 108.07 2kb0 n ASP 121 Ca -0.16 -0.84 -0.28 0.00 0.52 0.00 0.00 54.79 54.03 2kb0 n ASP 121 Cb 0.53 -1.05 -0.12 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.84 3.14 0.56 1.67 1.01 -1.18 -4.97 116.67 113.06 2kb0 s ASP 122 Ca 0.28 -2.89 0.30 0.00 0.71 0.00 0.00 52.55 50.96 2kb0 s ASP 122 Cb -0.16 -0.88 1.46 0.00 1.01 0.00 0.00 42.92 44.35 2kb0 s ASP 122 CO 0.64 -0.22 1.88 -0.65 0.21 0.00 0.00 175.17 177.03 2kb0 h PRO 123 N 6.25 0.00 -0.00 8.23 0.11 -1.90 0.90 132.00 145.58 2kb0 h PRO 123 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kb0 h PRO 123 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kb0 h PRO 123 CO 0.46 0.00 -0.04 0.43 -0.21 0.00 0.00 178.00 178.64 2kb0 n SER 124 N -4.03 0.19 -0.10 -2.05 7.64 -1.26 -2.04 113.62 111.96 2kb0 n SER 124 Ca 0.15 -0.46 -0.23 0.00 1.01 0.00 0.00 58.87 59.33 2kb0 n SER 124 Cb 0.86 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.78 2kb0 n SER 124 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kb0 n THR 125 N -1.10 1.57 -0.03 0.44 -1.04 0.31 -3.63 114.28 110.80 2kb0 n THR 125 Ca 0.16 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 61.79 2kb0 n THR 125 Cb 0.23 -1.92 -0.12 0.00 -1.82 0.00 0.00 70.33 66.70 2kb0 n THR 125 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2kb0 h ILE 126 N -0.78 1.62 -0.95 12.58 2.10 -1.59 -2.84 117.51 127.64 2kb0 h ILE 126 Ca -0.46 -2.05 -0.00 0.00 1.08 0.00 0.00 64.86 63.43 2kb0 h ILE 126 Cb 1.52 2.96 -0.05 0.00 -1.09 0.00 0.00 36.82 40.17 2kb0 h ILE 126 CO -0.21 0.55 0.58 -0.33 -1.08 0.00 0.00 178.15 177.66 2kb0 h GLU 127 N -0.67 1.29 -0.00 2.19 4.39 -1.65 1.38 114.58 121.51 2kb0 h GLU 127 Ca -0.02 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2kb0 h GLU 127 Cb 1.00 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2kb0 h GLU 127 CO 0.03 0.90 -0.10 1.63 -1.16 0.00 0.00 179.01 180.31 2kb0 n LYS 128 N -4.35 0.41 -0.03 2.33 4.76 -1.24 -3.52 118.16 116.51 2kb0 n LYS 128 Ca 0.11 -0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 2kb0 n LYS 128 Cb 0.05 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 2kb0 n LYS 128 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kb0 n LEU 129 N -1.21 0.45 -0.16 -0.35 4.77 -0.68 -4.61 117.00 115.20 2kb0 n LEU 129 Ca 0.12 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2kb0 n LEU 129 Cb 0.29 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 2kb0 n LEU 129 CO 0.25 0.13 0.96 0.00 -1.33 0.00 0.00 177.39 177.41 2kb0 h ALA 130 N -0.23 0.62 -0.54 -1.18 0.00 0.16 0.43 119.26 118.52 2kb0 h ALA 130 Ca -0.16 0.07 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2kb0 h ALA 130 Cb 1.14 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kb0 h ALA 130 CO -0.10 -0.22 0.69 0.87 0.00 0.00 0.00 179.25 180.50 2kb0 h LYS 131 N 0.36 0.00 0.10 0.00 1.57 -1.67 0.35 116.57 117.28 2kb0 h LYS 131 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2kb0 h LYS 131 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2kb0 h LYS 131 CO -0.25 0.00 -0.05 -0.97 -0.57 0.00 0.00 179.45 177.61 2kb0 h ASN 132 N 0.00 -0.11 -0.18 0.86 -1.24 -0.41 -3.46 115.58 111.04 2kb0 h ASN 132 Ca 0.26 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 56.85 2kb0 h ASN 132 Cb 1.64 0.03 -0.15 0.00 0.73 0.00 0.00 38.32 40.58 2kb0 h ASN 132 CO -0.00 0.52 -0.15 1.17 -1.29 0.00 0.00 177.43 177.67 2kb0 n LYS 133 N -4.83 0.19 -2.32 6.67 4.81 0.11 -5.06 118.16 117.73 2kb0 n LYS 133 Ca -0.06 -0.93 -0.02 0.00 -0.87 0.00 0.00 58.31 56.43 2kb0 n LYS 133 Cb 0.24 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 35.06 2kb0 n LYS 133 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2kb0 n GLN 134 N 2.20 -0.26 0.00 1.64 3.00 -0.50 -4.86 117.38 118.59 2kb0 n GLN 134 Ca 0.09 0.54 -0.20 0.00 -0.01 0.00 0.00 57.00 57.42 2kb0 n GLN 134 Cb 0.66 -0.70 -0.14 0.00 0.00 0.00 0.00 30.24 30.06 2kb0 n GLN 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2kb0 n LYS 135 N 0.93 0.75 -3.15 -1.09 3.00 -1.26 -4.88 118.16 112.45 2kb0 n LYS 135 Ca -0.01 0.26 -0.39 0.00 -0.00 0.00 0.00 58.31 58.18 2kb0 n LYS 135 Cb 0.34 -1.72 -0.05 0.00 0.00 0.00 0.00 35.03 33.60 2kb0 n LYS 135 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kb0 s PRO 136 N -2.56 4.32 -0.11 1.64 0.04 -1.26 -4.18 135.00 132.89 2kb0 s PRO 136 Ca -0.20 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 2kb0 s PRO 136 Cb 0.07 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2kb0 s PRO 136 CO 0.78 -0.02 0.26 0.42 0.04 0.00 0.00 177.00 178.47 2kb0 s ILE 137 N 1.17 5.30 0.52 0.56 1.09 -1.23 -5.08 121.20 123.54 2kb0 s ILE 137 Ca 0.31 0.49 -0.15 0.00 -1.10 0.00 0.00 60.65 60.20 2kb0 s ILE 137 Cb -0.16 -3.57 -0.07 0.00 -1.06 0.00 0.00 42.46 37.60 2kb0 s ILE 137 CO 0.13 0.51 0.96 0.28 -0.10 0.00 0.00 174.94 176.72 2kb0 s THR 138 N -0.38 4.61 0.45 2.92 -1.32 -1.26 -4.93 115.64 115.73 2kb0 s THR 138 Ca 0.17 1.06 0.13 0.00 -1.21 0.00 0.00 61.69 61.84 2kb0 s THR 138 Cb -0.13 -3.75 0.30 0.00 -1.51 0.00 0.00 72.50 67.40 2kb0 s THR 138 CO 0.06 -0.76 2.05 1.55 -2.21 0.00 0.00 174.62 175.30 2kb0 h PRO 139 N 0.70 0.33 -0.76 7.08 0.13 -1.99 -1.66 132.00 135.84 2kb0 h PRO 139 Ca -0.46 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2kb0 h PRO 139 Cb 1.19 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 2kb0 h PRO 139 CO 0.62 0.22 0.50 0.93 -0.23 0.00 0.00 178.00 180.03 2kb0 h GLU 140 N 0.34 0.84 0.00 0.86 5.08 -2.00 0.17 114.58 119.87 2kb0 h GLU 140 Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2kb0 h GLU 140 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kb0 h GLU 140 CO -0.04 0.55 -0.38 1.15 -1.00 0.00 0.00 179.01 179.29 2kb0 h THR 141 N 0.86 1.25 -0.04 1.13 2.02 -1.68 -2.75 112.91 113.71 2kb0 h THR 141 Ca 0.32 -1.31 -0.20 0.00 0.77 0.00 0.00 66.41 65.98 2kb0 h THR 141 Cb 0.16 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2kb0 h THR 141 CO -0.10 0.37 -0.83 0.00 0.37 0.00 0.00 175.52 175.33 2kb0 h ALA 142 N 1.62 0.50 -0.57 6.16 0.00 -0.70 -3.23 119.26 123.04 2kb0 h ALA 142 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.25 2kb0 h ALA 142 Cb 0.68 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kb0 h ALA 142 CO 0.05 0.80 0.38 0.93 0.00 0.00 0.00 179.25 181.41 2kb0 h GLU 143 N 0.24 0.75 -0.52 0.00 5.08 -0.84 -1.63 114.58 117.66 2kb0 h GLU 143 Ca -0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2kb0 h GLU 143 Cb 1.43 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2kb0 h GLU 143 CO 0.14 0.50 0.11 0.87 -1.00 0.00 0.00 179.01 179.63 2kb0 h LYS 144 N 0.77 0.81 -0.79 2.33 1.57 -1.56 -2.28 116.57 117.41 2kb0 h LYS 144 Ca 0.21 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 2kb0 h LYS 144 Cb -0.09 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.02 2kb0 h LYS 144 CO -0.05 0.74 0.40 1.25 -0.57 0.00 0.00 179.45 181.22 2kb0 h LEU 145 N 0.78 0.49 -0.16 2.94 5.85 -1.38 0.54 115.31 124.37 2kb0 h LEU 145 Ca 0.17 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 2kb0 h LEU 145 Cb 0.31 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2kb0 h LEU 145 CO 0.00 0.24 -0.20 0.00 -0.34 0.00 0.00 178.44 178.14 2kb0 h ALA 146 N 1.50 0.24 0.00 1.25 0.00 -1.43 -2.96 119.26 117.87 2kb0 h ALA 146 Ca 0.41 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kb0 h ALA 146 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kb0 h ALA 146 CO -0.32 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.65 2kb0 n ARG 147 N -4.47 0.90 0.11 0.00 1.74 -0.66 -1.37 116.66 112.92 2kb0 n ARG 147 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2kb0 n ARG 147 Cb 0.41 -1.45 0.31 0.00 -1.02 0.00 0.00 32.46 30.71 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2kb0 h ASP 148 N 0.00 0.21 0.00 0.55 3.32 0.23 -3.42 116.42 117.31 2kb0 h ASP 148 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2kb0 h ASP 148 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2kb0 h ASP 148 CO 0.00 0.50 0.00 0.18 -1.72 0.00 0.00 179.24 178.20 2kb0 n LEU 149 N -4.14 0.00 -2.70 1.55 4.77 -1.22 -5.05 117.00 110.20 2kb0 n LEU 149 Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 2kb0 n LEU 149 Cb 0.38 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 2kb0 n LEU 149 CO 0.40 0.00 0.48 1.17 -1.33 0.00 0.00 177.39 178.10 2kb0 n LYS 150 N -0.81 0.97 -2.17 3.23 4.81 -1.24 -5.13 118.16 117.82 2kb0 n LYS 150 Ca 0.00 -1.68 -0.41 0.00 -0.87 0.00 0.00 58.31 55.35 2kb0 n LYS 150 Cb 0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.63 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kb0 s ALA 151 N 0.20 3.52 0.01 3.14 0.00 -0.47 -4.74 121.76 123.42 2kb0 s ALA 151 Ca 0.20 1.19 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 2kb0 s ALA 151 Cb 0.32 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.80 2kb0 s ALA 151 CO -0.08 -0.58 1.25 0.28 0.00 0.00 0.00 175.76 176.64 2kb0 h VAL 152 N 3.35 0.73 -3.20 0.00 2.07 -1.79 -3.46 116.25 113.94 2kb0 h VAL 152 Ca -0.47 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2kb0 h VAL 152 Cb 1.22 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 31.91 2kb0 h VAL 152 CO 0.71 0.12 0.05 -0.54 0.02 0.00 0.00 177.57 177.94 2kb0 s LYS 153 N -4.69 1.16 0.05 1.57 1.02 -1.25 -5.09 119.74 112.50 2kb0 s LYS 153 Ca -0.14 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.31 2kb0 s LYS 153 Cb 0.02 0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 37.83 2kb0 s LYS 153 CO 0.55 -0.48 -0.16 1.52 -0.92 0.00 0.00 175.35 175.87 2kb0 s TYR 154 N -3.74 1.36 0.03 3.18 1.13 -1.26 -3.18 117.35 114.86 2kb0 s TYR 154 Ca 0.02 -0.37 -0.00 0.00 -1.41 0.00 0.00 57.07 55.31 2kb0 s TYR 154 Cb 0.01 -0.80 -0.02 0.00 -1.10 0.00 0.00 41.96 40.04 2kb0 s TYR 154 CO -0.12 0.06 -0.02 0.14 -2.51 0.00 0.00 175.55 173.09 2kb0 s VAL 155 N -0.89 0.13 -0.16 -3.49 -7.23 -0.81 -4.99 120.40 102.95 2kb0 s VAL 155 Ca 0.03 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 2kb0 s VAL 155 Cb -0.08 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 2kb0 s VAL 155 CO 0.02 -0.60 -0.00 -1.61 -0.31 0.00 0.00 175.10 172.59 2kb0 s GLU 156 N -1.97 3.78 0.02 4.82 2.02 -1.26 -0.20 118.70 125.90 2kb0 s GLU 156 Ca -0.11 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 54.45 2kb0 s GLU 156 Cb -0.06 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 2kb0 s GLU 156 CO -0.03 0.26 -0.09 0.00 0.02 0.00 0.00 175.26 175.42 2kb0 s SER 158 N -0.73 4.83 0.18 0.00 0.15 -1.19 -3.32 113.70 113.62 2kb0 s SER 158 Ca -0.01 -1.26 0.01 0.00 0.70 0.00 0.00 55.95 55.40 2kb0 s SER 158 Cb -0.06 -1.70 0.07 0.00 -1.71 0.00 0.00 66.02 62.63 2kb0 s SER 158 CO 0.00 -0.25 1.43 0.00 1.20 0.00 0.00 173.24 175.63 2kb0 h ALA 159 N 7.98 0.61 -0.40 5.45 0.00 -1.91 0.29 119.26 131.28 2kb0 h ALA 159 Ca -0.21 -0.65 0.11 0.00 0.00 0.00 0.00 54.91 54.16 2kb0 h ALA 159 Cb 1.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kb0 h ALA 159 CO 0.53 0.82 0.34 -0.07 0.00 0.00 0.00 179.25 180.87 2kb0 h LEU 160 N 0.17 0.00 -9.38 0.00 3.38 -1.97 -3.42 115.31 104.09 2kb0 h LEU 160 Ca -0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 2kb0 h LEU 160 Cb 1.36 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.98 2kb0 h LEU 160 CO 0.12 0.00 -0.59 0.42 0.09 0.00 0.00 178.44 178.48 2kb0 s THR 161 N -4.83 1.33 -1.84 0.22 -4.23 -1.11 -4.99 115.64 100.18 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 0.18 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2kb0 s THR 161 CO 0.64 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 175.37 2kb0 n GLN 162 N -0.80 0.70 -0.02 3.99 1.13 -1.26 -2.95 117.38 118.17 2kb0 n GLN 162 Ca -0.04 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.15 2kb0 n GLN 162 Cb 0.67 -1.06 0.51 0.00 0.11 0.00 0.00 30.24 30.46 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 -0.39 1.64 -0.11 -1.09 5.02 -1.23 -3.35 118.16 118.64 2kb0 n LYS 163 Ca 0.00 -0.94 -0.23 0.00 -2.02 0.00 0.00 58.31 55.12 2kb0 n LYS 163 Cb 0.03 -1.46 -0.10 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 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.15 -0.70 0.24 0.72 0.00 0.99 -3.19 105.19 104.41 2kb0 n GLY 164 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.94 -1.70 0.99 3.38 -1.78 -3.15 115.31 112.99 2kb0 h LEU 165 Ca -0.43 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.05 2kb0 h LEU 165 Cb 1.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2kb0 h LEU 165 CO -0.26 1.30 0.24 0.11 0.09 0.00 0.00 178.44 179.92 2kb0 h LYS 166 N 0.64 0.38 0.02 1.13 1.57 -1.77 0.46 116.57 119.00 2kb0 h LYS 166 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kb0 h LYS 166 Cb 1.16 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2kb0 h LYS 166 CO 0.12 0.25 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.34 2kb0 h ASN 167 N 0.40 -0.02 -0.02 0.86 2.35 -1.67 -3.03 115.58 114.44 2kb0 h ASN 167 Ca 0.15 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2kb0 h ASN 167 Cb 0.09 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2kb0 h ASN 167 CO -0.03 0.45 0.00 1.33 -1.65 0.00 0.00 177.43 177.53 2kb0 n VAL 168 N -4.88 0.03 -0.03 2.81 0.24 -1.01 -3.92 118.33 111.57 2kb0 n VAL 168 Ca -0.08 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 2kb0 n VAL 168 Cb 0.24 -0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.75 -0.03 -0.36 6.34 3.57 0.05 -1.38 116.94 125.88 2kb0 h PHE 169 Ca 0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2kb0 h PHE 169 Cb 0.16 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2kb0 h PHE 169 CO 0.01 0.65 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.28 2kb0 h ASP 170 N -0.76 0.65 0.03 0.41 3.32 -1.68 -2.88 116.42 115.51 2kb0 h ASP 170 Ca -0.00 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 2kb0 h ASP 170 Cb 0.69 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2kb0 h ASP 170 CO 0.01 0.82 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.79 2kb0 h GLU 171 N 0.47 0.33 -0.86 3.56 5.08 -1.69 -2.70 114.58 118.77 2kb0 h GLU 171 Ca 0.10 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2kb0 h GLU 171 Cb 0.50 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2kb0 h GLU 171 CO 0.02 0.55 0.57 0.00 -1.00 0.00 0.00 179.01 179.15 2kb0 h ALA 172 N 1.47 1.43 -0.14 3.43 0.00 -1.03 -1.59 119.26 122.84 2kb0 h ALA 172 Ca 0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2kb0 h ALA 172 Cb 0.56 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kb0 h ALA 172 CO 0.04 0.50 -0.57 0.82 0.00 0.00 0.00 179.25 180.04 2kb0 h ILE 173 N 1.11 1.33 -0.39 0.00 2.04 -1.40 -2.82 117.51 117.38 2kb0 h ILE 173 Ca 0.33 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.36 2kb0 h ILE 173 Cb -0.04 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kb0 h ILE 173 CO -0.09 0.57 0.24 0.25 0.00 0.00 0.00 178.15 179.12 2kb0 h LEU 174 N 0.28 0.40 -1.22 1.44 5.85 -1.20 -2.17 115.31 118.69 2kb0 h LEU 174 Ca -0.03 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2kb0 h LEU 174 Cb 1.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2kb0 h LEU 174 CO 0.12 0.29 0.02 0.00 -0.34 0.00 0.00 178.44 178.52 2kb0 h ALA 175 N 1.17 1.36 -0.62 1.25 0.00 -1.35 -2.21 119.26 118.85 2kb0 h ALA 175 Ca 0.15 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2kb0 h ALA 175 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2kb0 h ALA 175 CO -0.06 0.44 0.42 0.00 0.00 0.00 0.00 179.25 180.05 2kb0 h ALA 176 N 1.49 1.99 -0.95 0.00 0.00 -1.12 0.02 119.26 120.68 2kb0 h ALA 176 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kb0 h ALA 176 Cb 0.32 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2kb0 h ALA 176 CO 0.01 -0.13 0.59 -0.07 0.00 0.00 0.00 179.25 179.65 2kb0 h LEU 177 N 0.44 1.13 0.00 0.00 3.38 -1.28 -3.48 115.31 115.51 2kb0 h LEU 177 Ca 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2kb0 h LEU 177 Cb 0.54 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kb0 h LEU 177 CO -0.08 0.85 0.00 1.21 0.09 0.00 0.00 178.44 180.51