#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crr s THR 2 N 0.00 2.40 -0.41 3.17 2.01 -1.26 -4.74 115.64 116.81 1crr s THR 2 Ca 0.00 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1crr s THR 2 Cb 0.00 -3.03 0.12 0.00 0.01 0.00 0.00 72.50 69.59 1crr s THR 2 CO 0.00 -0.03 0.17 -1.61 -0.69 0.00 0.00 174.62 172.45 1crr s GLU 3 N -5.19 1.38 0.04 4.92 2.02 -1.26 -0.69 118.70 119.91 1crr s GLU 3 Ca 0.59 -1.92 -0.00 0.00 0.02 0.00 0.00 54.97 53.66 1crr s GLU 3 Cb -0.11 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1crr s GLU 3 CO 0.44 -1.06 0.18 0.71 0.02 0.00 0.00 175.26 175.56 1crr s TYR 4 N 0.60 3.49 0.01 1.61 2.02 -1.06 -4.96 117.35 119.06 1crr s TYR 4 Ca 0.14 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1crr s TYR 4 Cb -0.22 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1crr s TYR 4 CO -0.07 0.60 0.08 0.15 -1.57 0.00 0.00 175.55 174.74 1crr s LYS 5 N -2.30 3.04 -0.71 -0.62 1.02 -1.26 -1.78 119.74 117.12 1crr s LYS 5 Ca 0.32 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.82 1crr s LYS 5 Cb -0.13 -2.84 0.17 0.00 -0.52 0.00 0.00 37.83 34.52 1crr s LYS 5 CO 0.24 0.64 0.52 -0.51 -0.92 0.00 0.00 175.35 175.32 1crr s LEU 6 N -1.81 4.94 -0.82 3.17 1.43 -1.08 -1.57 118.68 122.93 1crr s LEU 6 Ca 0.24 -3.64 -0.25 0.00 -1.03 0.00 0.00 54.13 49.45 1crr s LEU 6 Cb -0.12 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 1crr s LEU 6 CO 0.15 -0.15 2.22 -0.69 0.23 0.00 0.00 176.35 178.11 1crr s VAL 7 N -1.17 3.18 0.10 -1.59 1.01 0.32 -2.62 120.40 119.63 1crr s VAL 7 Ca 0.24 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1crr s VAL 7 Cb -0.09 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1crr s VAL 7 CO -0.12 -0.39 0.94 -0.69 0.00 0.00 0.00 175.10 174.84 1crr s VAL 8 N 12.81 4.54 0.00 2.92 1.01 -1.08 -1.63 120.40 138.98 1crr s VAL 8 Ca 0.84 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.84 1crr s VAL 8 Cb -0.11 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1crr s VAL 8 CO 0.06 0.31 0.00 0.52 0.00 0.00 0.00 175.10 175.99 1crr n VAL 9 N 2.85 0.00 0.00 2.92 0.31 -1.14 -4.64 118.33 118.64 1crr n VAL 9 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1crr n VAL 9 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1crr n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1crr n GLY 10 N 0.24 0.47 3.86 2.92 0.00 -1.26 -1.90 105.19 109.53 1crr n GLY 10 Ca 0.00 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr s ALA 11 N -2.00 3.43 -0.72 4.61 0.00 -1.26 -4.98 121.76 120.85 1crr s ALA 11 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 1crr s ALA 11 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1crr s ALA 11 CO 0.00 0.36 1.39 0.20 0.00 0.00 0.00 175.76 177.71 1crr s GLY 12 N -2.43 0.75 0.00 0.00 0.00 -1.26 -2.89 107.32 101.48 1crr s GLY 12 Ca 0.51 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1crr s GLY 12 CO 0.21 2.80 0.00 0.61 0.00 0.00 0.00 173.10 176.72 1crr n GLY 13 N 5.44 0.28 0.19 0.20 0.00 -1.26 -5.00 105.19 105.04 1crr n GLY 13 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1crr n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1crr h VAL 14 N 0.00 1.27 0.00 1.61 -1.51 -1.94 -3.46 116.25 112.22 1crr h VAL 14 Ca 0.00 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1crr h VAL 14 Cb 0.00 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1crr h VAL 14 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 177.57 177.31 1crr n GLY 15 N -0.46 1.84 0.15 5.19 0.00 -1.26 -4.70 105.19 105.94 1crr n GLY 15 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1crr n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1crr h LYS 16 N 0.00 0.41 0.31 1.61 1.57 -1.89 -2.86 116.57 115.72 1crr h LYS 16 Ca 0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1crr h LYS 16 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1crr h LYS 16 CO 0.00 0.82 -0.15 0.77 -0.57 0.00 0.00 179.45 180.32 1crr h SER 17 N 0.04 -0.35 -0.96 0.86 0.02 -1.96 -2.23 113.55 108.96 1crr h SER 17 Ca 0.02 -0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1crr h SER 17 Cb 0.77 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.31 1crr h SER 17 CO 0.05 -0.21 0.61 0.00 -1.14 0.00 0.00 176.83 176.14 1crr h ALA 18 N 0.22 1.75 -0.67 3.77 0.00 -1.89 0.15 119.26 122.58 1crr h ALA 18 Ca -0.04 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1crr h ALA 18 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1crr h ALA 18 CO 0.07 -0.05 0.18 -0.07 0.00 0.00 0.00 179.25 179.38 1crr h LEU 19 N 0.76 0.98 0.85 0.00 3.38 -1.24 -1.82 115.31 118.22 1crr h LEU 19 Ca 0.51 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 1crr h LEU 19 Cb 0.79 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1crr h LEU 19 CO -0.28 0.93 -0.41 0.74 0.09 0.00 0.00 178.44 179.52 1crr h THR 20 N 1.00 0.00 -0.66 0.22 2.02 -0.14 -2.53 112.91 112.82 1crr h THR 20 Ca 0.22 -0.12 0.19 0.00 0.77 0.00 0.00 66.41 67.47 1crr h THR 20 Cb 0.32 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1crr h THR 20 CO -0.00 0.00 0.52 0.40 0.37 0.00 0.00 175.52 176.81 1crr h ILE 21 N -1.26 0.55 -0.14 3.11 5.03 -1.33 0.29 117.51 123.76 1crr h ILE 21 Ca -0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1crr h ILE 21 Cb 0.87 0.63 -0.01 0.00 -3.03 0.00 0.00 36.82 35.28 1crr h ILE 21 CO 0.19 0.00 0.09 -0.61 -0.68 0.00 0.00 178.15 177.14 1crr h GLN 22 N 0.00 0.19 0.00 2.37 5.75 -0.90 -1.66 115.11 120.86 1crr h GLN 22 Ca 0.31 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1crr h GLN 22 Cb 1.34 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1crr h GLN 22 CO -0.00 0.15 0.00 -0.11 -2.65 0.00 0.00 178.83 176.21 1crr n LEU 23 N -4.98 0.51 -0.00 -2.39 7.94 0.05 -1.24 117.00 116.89 1crr n LEU 23 Ca -0.04 0.59 -0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1crr n LEU 23 Cb 0.04 -0.48 -0.00 0.00 0.53 0.00 0.00 43.42 43.50 1crr n LEU 23 CO 0.34 -0.34 -0.02 0.40 -1.11 0.00 0.00 177.39 176.66 1crr h ILE 24 N 0.00 0.00 0.00 1.96 1.08 -0.90 -3.43 117.51 116.21 1crr h ILE 24 Ca 0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1crr h ILE 24 Cb 0.46 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1crr h ILE 24 CO 0.00 0.00 -1.47 0.00 -0.69 0.00 0.00 178.15 175.99 1crr n GLN 25 N -2.35 0.69 -2.08 2.37 6.02 -0.74 -5.05 117.38 116.25 1crr n GLN 25 Ca -0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 56.85 1crr n GLN 25 Cb 0.01 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1crr n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1crr n ASN 26 N -1.87 -4.51 -3.65 1.08 3.02 -0.37 -5.04 115.26 103.92 1crr n ASN 26 Ca -0.01 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1crr n ASN 26 Cb 0.41 -2.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.66 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1crr s HIS 27 N -1.84 -0.27 0.26 3.10 -3.43 -1.26 -5.03 115.29 106.81 1crr s HIS 27 Ca 0.09 0.56 -0.31 0.00 -0.80 0.00 0.00 55.06 54.61 1crr s HIS 27 Cb -0.03 0.22 -0.12 0.00 -1.43 0.00 0.00 32.58 31.22 1crr s HIS 27 CO 0.32 -0.13 1.64 0.34 -2.00 0.00 0.00 174.74 174.91 1crr n PHE 28 N 3.08 2.78 -4.78 0.38 7.35 -1.26 -4.55 117.46 120.45 1crr n PHE 28 Ca -0.17 0.18 -0.33 0.00 -0.76 0.00 0.00 57.45 56.38 1crr n PHE 28 Cb 0.57 -2.62 -0.14 0.00 0.35 0.00 0.00 39.48 37.64 1crr n PHE 28 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1crr s VAL 29 N 0.46 3.07 -0.15 -2.13 -7.23 -1.26 -5.00 120.40 108.16 1crr s VAL 29 Ca 0.69 -0.66 0.15 0.00 -1.81 0.00 0.00 61.98 60.35 1crr s VAL 29 Cb -0.51 -2.28 0.41 0.00 0.56 0.00 0.00 36.38 34.56 1crr s VAL 29 CO 0.42 0.53 1.20 -0.67 -0.31 0.00 0.00 175.10 176.28 1crr n ASP 30 N 3.38 1.53 -2.45 4.85 2.03 -1.26 -4.77 116.55 119.86 1crr n ASP 30 Ca -0.18 -3.36 -0.03 0.00 0.52 0.00 0.00 54.79 51.74 1crr n ASP 30 Cb 0.53 -0.46 0.05 0.00 -0.72 0.00 0.00 41.12 40.52 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1crr n GLU 31 N -0.70 0.64 -2.84 -0.67 0.28 -1.26 -5.12 120.64 110.97 1crr n GLU 31 Ca 0.15 -0.95 -0.41 0.00 -0.16 0.00 0.00 57.16 55.79 1crr n GLU 31 Cb 0.81 0.07 -0.04 0.00 1.43 0.00 0.00 31.44 33.71 1crr n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1crr s TYR 32 N 0.09 3.54 -0.31 -1.84 5.04 -1.26 -4.95 117.35 117.65 1crr s TYR 32 Ca 0.09 1.44 -0.32 0.00 -2.44 0.00 0.00 57.07 55.83 1crr s TYR 32 Cb 0.21 -3.02 -0.09 0.00 0.35 0.00 0.00 41.96 39.41 1crr s TYR 32 CO -0.05 -0.09 2.22 -3.47 -1.34 0.00 0.00 175.55 172.81 1crr n ASP 33 N 4.47 2.52 0.30 4.32 -0.08 -1.26 -4.80 116.55 122.02 1crr n ASP 33 Ca 0.04 0.30 0.19 0.00 -1.51 0.00 0.00 54.79 53.81 1crr n ASP 33 Cb 0.50 -1.38 0.86 0.00 2.34 0.00 0.00 41.12 43.44 1crr n ASP 33 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1crr h PRO 34 N 13.59 0.00 -2.60 -0.67 0.13 -1.92 -3.27 132.00 137.26 1crr h PRO 34 Ca -0.32 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.09 1crr h PRO 34 Cb 1.29 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 1crr h PRO 34 CO 1.01 0.01 2.37 0.25 -0.23 0.00 0.00 178.00 181.40 1crr n THR 35 N -3.13 5.07 -3.89 1.56 -2.24 -1.26 -4.03 114.28 106.35 1crr n THR 35 Ca -0.01 -4.13 -0.27 0.00 -2.27 0.00 0.00 64.05 57.37 1crr n THR 35 Cb 0.23 -2.07 -0.17 0.00 -2.10 0.00 0.00 70.33 66.22 1crr n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1crr s ILE 36 N -1.02 1.04 -0.22 2.28 1.01 -1.23 -5.06 121.20 118.00 1crr s ILE 36 Ca 0.55 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1crr s ILE 36 Cb 0.20 -1.15 0.06 0.00 0.01 0.00 0.00 42.46 41.58 1crr s ILE 36 CO -0.10 0.24 -0.05 -1.61 0.00 0.00 0.00 174.94 173.42 1crr s GLU 37 N 1.68 1.61 0.00 2.79 2.02 -1.26 -3.54 118.70 121.99 1crr s GLU 37 Ca 0.03 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1crr s GLU 37 Cb -0.14 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1crr s GLU 37 CO -0.08 -0.57 0.00 -0.25 0.02 0.00 0.00 175.26 174.38 1crr n ASP 38 N 4.71 0.00 -3.61 -0.19 8.00 -1.26 -5.06 116.55 119.14 1crr n ASP 38 Ca -0.12 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.34 1crr n ASP 38 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1crr n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1crr s SER 39 N 2.00 -0.18 -0.19 -2.24 1.04 -1.26 -4.88 113.70 107.99 1crr s SER 39 Ca 0.00 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.29 1crr s SER 39 Cb 0.00 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.47 1crr s SER 39 CO 0.00 -0.45 0.28 -0.31 0.98 0.00 0.00 173.24 173.74 1crr s TYR 40 N -2.72 -0.47 0.40 5.02 1.51 -0.99 -4.99 117.35 115.10 1crr s TYR 40 Ca 0.10 0.64 0.08 0.00 -1.01 0.00 0.00 57.07 56.88 1crr s TYR 40 Cb 0.00 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 1crr s TYR 40 CO -0.04 -0.55 0.18 1.03 -1.11 0.00 0.00 175.55 175.05 1crr s ARG 41 N 2.42 2.25 -0.29 -0.62 0.52 -1.26 -0.61 118.95 121.37 1crr s ARG 41 Ca 0.06 -1.79 -0.16 0.00 -0.52 0.00 0.00 55.73 53.32 1crr s ARG 41 Cb -0.14 -2.02 0.12 0.00 0.52 0.00 0.00 34.95 33.42 1crr s ARG 41 CO -0.12 -0.09 0.88 0.21 0.02 0.00 0.00 175.30 176.20 1crr s LYS 42 N -3.90 0.50 -0.57 3.54 2.47 -1.22 -4.93 119.74 115.62 1crr s LYS 42 Ca 0.41 0.85 -0.17 0.00 -1.56 0.00 0.00 55.97 55.51 1crr s LYS 42 Cb 0.03 0.10 0.13 0.00 -1.46 0.00 0.00 37.83 36.63 1crr s LYS 42 CO 0.23 -0.10 0.57 -1.14 0.16 0.00 0.00 175.35 175.06 1crr s GLN 43 N 1.41 3.04 0.14 4.03 0.74 -1.26 -2.82 119.66 124.94 1crr s GLN 43 Ca -0.09 -1.65 0.00 0.00 0.05 0.00 0.00 55.36 53.68 1crr s GLN 43 Cb -0.04 -4.30 -0.00 0.00 1.10 0.00 0.00 33.01 29.76 1crr s GLN 43 CO -0.16 -1.39 0.02 1.33 -0.55 0.00 0.00 175.29 174.54 1crr n VAL 44 N 5.27 0.00 -4.92 1.34 0.24 -1.26 -5.06 118.33 113.94 1crr n VAL 44 Ca -0.11 -0.73 -0.32 0.00 -2.04 0.00 0.00 64.34 61.13 1crr n VAL 44 Cb 0.41 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.81 1crr n VAL 44 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1crr s VAL 45 N -1.74 2.05 -0.01 3.34 1.01 -1.26 -3.41 120.40 120.38 1crr s VAL 45 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1crr s VAL 45 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1crr s VAL 45 CO 0.02 0.55 0.16 0.40 0.00 0.00 0.00 175.10 176.23 1crr h ILE 46 N 5.77 0.00 -0.03 2.22 1.08 -1.94 -3.45 117.51 121.16 1crr h ILE 46 Ca -0.26 -0.16 -0.16 0.00 -0.39 0.00 0.00 64.86 63.89 1crr h ILE 46 Cb 1.21 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.75 1crr h ILE 46 CO 0.52 0.00 -0.50 0.47 -0.69 0.00 0.00 178.15 177.94 1crr n ASP 47 N -2.54 -0.48 0.00 1.72 8.00 -1.26 -5.01 116.55 116.97 1crr n ASP 47 Ca -0.00 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1crr n ASP 47 Cb 0.01 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 1crr n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1crr n GLY 48 N -0.25 0.67 0.00 0.44 0.00 -1.26 -5.04 105.19 99.75 1crr n GLY 48 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1crr n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1crr n GLU 49 N 0.00 0.00 -2.62 1.61 -0.58 -1.26 -5.10 120.64 112.70 1crr n GLU 49 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1crr n GLU 49 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1crr n GLU 49 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1crr n THR 50 N -0.49-11.31 -4.87 2.62 -1.04 -1.26 -4.45 114.28 93.47 1crr n THR 50 Ca 0.00 1.73 -0.33 0.00 -2.04 0.00 0.00 64.05 63.41 1crr n THR 50 Cb 0.00 -6.71 -0.15 0.00 -1.82 0.00 0.00 70.33 61.64 1crr n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1crr s LEU 52 N 0.45 4.37 -0.49 0.00 0.20 0.14 -4.44 118.68 118.91 1crr s LEU 52 Ca -0.12 2.68 -0.07 0.00 0.69 0.00 0.00 54.13 57.30 1crr s LEU 52 Cb -0.16 -3.59 0.13 0.00 -0.43 0.00 0.00 46.19 42.13 1crr s LEU 52 CO 0.05 -0.87 0.34 -0.76 -0.29 0.00 0.00 176.35 174.82 1crr s LEU 53 N 1.30 5.59 -1.04 -0.68 1.43 -1.13 -2.55 118.68 121.60 1crr s LEU 53 Ca 0.72 -2.08 -0.23 0.00 -1.03 0.00 0.00 54.13 51.51 1crr s LEU 53 Cb -0.45 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1crr s LEU 53 CO 0.32 -0.62 1.72 -0.62 0.23 0.00 0.00 176.35 177.38 1crr s ASP 54 N 2.23 5.90 0.30 2.29 2.15 -0.73 -3.39 116.67 125.41 1crr s ASP 54 Ca 0.08 -1.36 -0.29 0.00 0.43 0.00 0.00 52.55 51.41 1crr s ASP 54 Cb -0.24 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.71 1crr s ASP 54 CO -0.02 -2.08 1.20 -0.63 -0.17 0.00 0.00 175.17 173.47 1crr s ILE 55 N 7.39 3.12 -0.24 4.11 1.09 0.22 -2.63 121.20 134.26 1crr s ILE 55 Ca 0.58 1.12 0.02 0.00 -1.10 0.00 0.00 60.65 61.27 1crr s ILE 55 Cb -0.02 -3.71 0.06 0.00 -1.06 0.00 0.00 42.46 37.72 1crr s ILE 55 CO -0.01 0.26 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.78 1crr s LEU 56 N -1.54 3.02 -0.09 2.97 2.96 -1.08 -2.35 118.68 122.58 1crr s LEU 56 Ca 0.47 -1.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.14 1crr s LEU 56 Cb -0.36 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1crr s LEU 56 CO 0.46 -0.20 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.51 1crr s ASP 57 N 1.23 3.75 0.30 3.68 -1.08 -1.26 -2.62 116.67 120.67 1crr s ASP 57 Ca -0.07 -0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 51.57 1crr s ASP 57 Cb -0.19 -1.21 -0.05 0.00 -1.46 0.00 0.00 42.92 40.01 1crr s ASP 57 CO -0.06 0.24 0.56 0.42 0.52 0.00 0.00 175.17 176.85 1crr s THR 58 N -0.08 5.03 0.00 1.71 -4.23 -1.26 -4.58 115.64 112.23 1crr s THR 58 Ca -0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1crr s THR 58 Cb -0.14 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.94 1crr s THR 58 CO 0.04 -0.37 0.09 0.00 -0.54 0.00 0.00 174.62 173.83 1crr n ALA 59 N -1.10 -0.03 0.00 3.99 0.00 -1.23 -4.95 120.51 117.18 1crr n ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1crr n ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1crr n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1crr n GLY 60 N 1.87 0.00 3.36 0.00 0.00 -1.26 -4.79 105.19 104.37 1crr n GLY 60 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1crr n GLY 60 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1crr s GLN 61 N 0.00 1.37 -0.39 1.61 0.74 -1.26 -5.03 119.66 116.70 1crr s GLN 61 Ca 0.00 -1.61 0.06 0.00 0.05 0.00 0.00 55.36 53.86 1crr s GLN 61 Cb 0.00 -1.20 0.56 0.00 1.10 0.00 0.00 33.01 33.48 1crr s GLN 61 CO 0.00 0.20 1.68 0.39 -0.55 0.00 0.00 175.29 177.02 1crr n GLU 62 N -0.41 2.16 -2.40 1.67 1.02 -1.26 -4.90 120.64 116.52 1crr n GLU 62 Ca -0.08 -3.18 -0.37 0.00 -0.02 0.00 0.00 57.16 53.51 1crr n GLU 62 Cb 0.60 -2.03 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1crr n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1crr s GLU 63 N -3.34 3.38 -0.36 3.49 2.12 -1.26 -4.41 118.70 118.32 1crr s GLU 63 Ca 0.52 -1.35 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 1crr s GLU 63 Cb 0.45 -5.37 0.01 0.00 0.26 0.00 0.00 34.13 29.48 1crr s GLU 63 CO 0.04 -2.74 0.33 0.98 -0.54 0.00 0.00 175.26 173.33 1crr n TYR 64 N 10.49 -3.41 -2.78 5.30 9.36 -1.26 -4.85 117.16 130.01 1crr n TYR 64 Ca 0.42 1.44 -0.43 0.00 3.32 0.00 0.00 57.90 62.66 1crr n TYR 64 Cb 0.48 -3.68 -0.03 0.00 -0.63 0.00 0.00 39.34 35.48 1crr n TYR 64 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1crr s SER 65 N -2.03 6.54 -0.01 2.98 1.04 -1.26 -4.67 113.70 116.28 1crr s SER 65 Ca 0.15 -1.71 0.25 0.00 0.48 0.00 0.00 55.95 55.12 1crr s SER 65 Cb -0.04 -2.47 0.42 0.00 0.10 0.00 0.00 66.02 64.04 1crr s SER 65 CO 0.73 -1.27 1.16 0.00 0.98 0.00 0.00 173.24 174.84 1crr n ALA 66 N 7.56 2.40 0.00 5.32 0.00 -1.26 -4.87 120.51 129.66 1crr n ALA 66 Ca 0.25 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.35 1crr n ALA 66 Cb 0.50 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1crr n ALA 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1crr n MET 67 N 0.44 0.00 0.26 0.00 1.56 -1.26 -4.73 117.12 113.39 1crr n MET 67 Ca 0.05 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.57 1crr n MET 67 Cb 1.12 -0.64 0.67 0.00 2.15 0.00 0.00 33.22 36.53 1crr n MET 67 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1crr h ARG 68 N 0.00 0.00 -0.45 2.12 1.12 -1.95 -1.52 114.38 113.70 1crr h ARG 68 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 1crr h ARG 68 Cb 0.40 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 1crr h ARG 68 CO 0.00 0.04 0.00 0.22 -3.11 0.00 0.00 179.97 177.12 1crr h ASP 69 N 0.00 0.77 -0.10 -3.80 1.82 -1.90 -1.16 116.42 112.05 1crr h ASP 69 Ca -0.00 -0.31 -0.07 0.00 -0.39 0.00 0.00 57.03 56.26 1crr h ASP 69 Cb 0.07 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.86 1crr h ASP 69 CO 0.00 0.89 -0.13 1.56 -1.61 0.00 0.00 179.24 179.95 1crr h GLN 70 N 0.63 0.45 0.00 0.28 1.08 -1.59 -1.80 115.11 114.16 1crr h GLN 70 Ca 0.13 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1crr h GLN 70 Cb 0.49 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1crr h GLN 70 CO 0.02 0.58 -0.35 1.88 -0.95 0.00 0.00 178.83 180.01 1crr h TYR 71 N 0.42 0.00 0.00 2.96 0.05 -0.98 -1.96 116.97 117.46 1crr h TYR 71 Ca 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1crr h TYR 71 Cb 0.49 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1crr h TYR 71 CO 0.01 0.35 -0.06 0.52 -1.05 0.00 0.00 178.16 177.94 1crr h MET 72 N 0.00 0.00 0.00 4.88 2.86 -0.31 -1.06 114.93 121.30 1crr h MET 72 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 1crr h MET 72 Cb 0.82 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1crr h MET 72 CO 0.05 0.06 -2.09 -2.13 1.06 0.00 0.00 176.91 173.86 1crr n ARG 73 N -3.35 0.66 -0.05 1.72 0.63 -0.80 -4.61 116.66 110.85 1crr n ARG 73 Ca -0.01 0.12 -0.01 0.00 -0.92 0.00 0.00 57.85 57.02 1crr n ARG 73 Cb 0.22 -1.64 -0.00 0.00 0.45 0.00 0.00 32.46 31.48 1crr n ARG 73 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1crr h THR 74 N 0.00 0.00 -4.28 5.15 1.35 -1.01 -3.47 112.91 110.65 1crr h THR 74 Ca -0.43 -0.96 -0.52 0.00 -0.55 0.00 0.00 66.41 63.96 1crr h THR 74 Cb 2.13 0.00 0.17 0.00 -1.73 0.00 0.00 68.15 68.72 1crr h THR 74 CO 0.05 0.00 0.26 -0.83 -0.25 0.00 0.00 175.52 174.75 1crr s GLY 75 N -3.72 1.68 0.00 5.82 0.00 -0.43 -4.97 107.32 105.70 1crr s GLY 75 Ca -0.05 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1crr s GLY 75 CO 0.07 0.85 0.00 1.18 0.00 0.00 0.00 173.10 175.20 1crr n GLU 76 N -3.96 3.02 -2.66 2.90 4.71 -1.25 -4.83 120.64 118.57 1crr n GLU 76 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.84 1crr n GLU 76 Cb 0.52 -0.70 -0.03 0.00 -1.01 0.00 0.00 31.44 30.22 1crr n GLU 76 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1crr s GLY 77 N -1.09 1.48 -0.92 0.62 0.00 -0.61 -3.67 107.32 103.12 1crr s GLY 77 Ca 0.00 -2.46 -0.23 0.00 0.00 0.00 0.00 44.72 42.03 1crr s GLY 77 CO 0.00 2.52 1.33 -1.36 0.00 0.00 0.00 173.10 175.59 1crr s PHE 78 N 4.29 2.57 -1.29 1.90 0.08 -1.13 0.12 117.98 124.53 1crr s PHE 78 Ca 0.43 -0.73 -0.13 0.00 0.12 0.00 0.00 56.93 56.62 1crr s PHE 78 Cb -0.01 -4.60 0.13 0.00 -0.57 0.00 0.00 43.02 37.97 1crr s PHE 78 CO -0.08 -1.89 1.74 -0.11 -0.10 0.00 0.00 175.22 174.78 1crr n LEU 79 N 8.58 5.81 -4.56 -0.37 7.94 -0.65 -2.13 117.00 131.63 1crr n LEU 79 Ca 0.23 -4.36 -0.24 0.00 -1.11 0.00 0.00 56.01 50.54 1crr n LEU 79 Cb 0.50 -1.61 -0.05 0.00 0.53 0.00 0.00 43.42 42.78 1crr n LEU 79 CO 0.65 0.85 1.41 0.00 -1.11 0.00 0.00 177.39 179.18 1crr s VAL 81 N 12.20 2.09 -0.28 0.00 1.01 -0.80 -2.71 120.40 131.91 1crr s VAL 81 Ca 0.83 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 1crr s VAL 81 Cb -0.11 -3.05 0.11 0.00 0.00 0.00 0.00 36.38 33.33 1crr s VAL 81 CO 0.09 0.02 0.18 0.12 0.00 0.00 0.00 175.10 175.50 1crr s PHE 82 N -0.51 0.06 0.22 5.22 5.36 -0.56 -4.11 117.98 123.65 1crr s PHE 82 Ca 0.58 -0.60 -0.30 0.00 -0.96 0.00 0.00 56.93 55.65 1crr s PHE 82 Cb -0.47 -0.74 -0.09 0.00 -0.34 0.00 0.00 43.02 41.38 1crr s PHE 82 CO 0.55 -0.84 1.33 0.00 -1.46 0.00 0.00 175.22 174.80 1crr s ALA 83 N 2.19 3.54 -1.03 11.12 0.00 -1.26 -1.51 121.76 134.81 1crr s ALA 83 Ca 0.09 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1crr s ALA 83 Cb -0.15 -3.49 0.31 0.00 0.00 0.00 0.00 23.12 19.78 1crr s ALA 83 CO -0.34 -0.58 1.88 0.44 0.00 0.00 0.00 175.76 177.17 1crr n ILE 84 N 2.44 5.88 0.00 0.00 -5.35 -0.87 -4.34 119.36 117.12 1crr n ILE 84 Ca 0.06 -5.75 0.00 0.00 -0.27 0.00 0.00 62.75 56.79 1crr n ILE 84 Cb 0.42 -1.56 0.00 0.00 -1.74 0.00 0.00 39.64 36.76 1crr n ILE 84 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1crr n ASN 85 N 0.02 0.00 0.05 7.28 4.13 -1.26 -3.41 115.26 122.07 1crr n ASN 85 Ca 0.48 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.69 1crr n ASN 85 Cb 0.26 0.16 -0.10 0.00 -1.54 0.00 0.00 39.78 38.56 1crr n ASN 85 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1crr h ASN 86 N 0.00 0.00 0.00 6.41 7.08 -2.00 -3.40 115.58 123.67 1crr h ASN 86 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1crr h ASN 86 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1crr h ASN 86 CO 0.00 0.88 0.00 0.41 -2.08 0.00 0.00 177.43 176.64 1crr n THR 87 N -3.21 0.00 0.20 6.14 -1.04 -1.26 -4.78 114.28 110.33 1crr n THR 87 Ca -0.05 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.12 1crr n THR 87 Cb 0.92 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 70.24 1crr n THR 87 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1crr h LYS 88 N 0.07 0.00 -0.41 -2.82 3.64 -1.92 0.56 116.57 115.69 1crr h LYS 88 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1crr h LYS 88 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1crr h LYS 88 CO 0.00 0.00 -0.00 0.77 -2.27 0.00 0.00 179.45 177.95 1crr h SER 89 N 0.00 0.72 -0.56 4.20 0.02 -1.86 -1.91 113.55 114.16 1crr h SER 89 Ca 0.08 -0.31 0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1crr h SER 89 Cb 0.42 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1crr h SER 89 CO -0.00 0.85 0.19 0.15 -1.14 0.00 0.00 176.83 176.88 1crr h PHE 90 N 0.56 0.33 -0.06 3.45 3.04 -1.15 0.15 116.94 123.27 1crr h PHE 90 Ca 0.12 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 1crr h PHE 90 Cb 0.48 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1crr h PHE 90 CO 0.04 0.08 -0.26 0.93 -2.02 0.00 0.00 178.31 177.08 1crr h GLU 91 N 0.36 0.10 0.00 1.11 5.08 -1.37 -1.99 114.58 117.86 1crr h GLU 91 Ca 0.28 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1crr h GLU 91 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1crr h GLU 91 CO -0.30 0.35 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.62 1crr h ASP 92 N 0.09 0.00 0.79 1.42 3.32 0.04 -3.08 116.42 119.00 1crr h ASP 92 Ca 0.01 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 1crr h ASP 92 Cb 0.51 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1crr h ASP 92 CO 0.04 0.01 -1.31 0.40 -1.72 0.00 0.00 179.24 176.65 1crr h ILE 93 N 0.00 1.05 0.00 0.35 1.08 -0.36 -1.93 117.51 117.71 1crr h ILE 93 Ca -0.00 -2.75 0.00 0.00 -0.39 0.00 0.00 64.86 61.72 1crr h ILE 93 Cb 0.71 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 1crr h ILE 93 CO 0.00 0.60 0.00 -0.74 -0.69 0.00 0.00 178.15 177.32 1crr h HIS 94 N 0.00 0.00 0.00 1.37 2.76 -1.39 -3.22 115.15 114.67 1crr h HIS 94 Ca -0.15 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.98 1crr h HIS 94 Cb 1.80 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.75 1crr h HIS 94 CO 0.00 0.00 -1.17 1.04 -1.30 0.00 0.00 177.93 176.50 1crr n GLN 95 N -2.62 3.09 0.27 5.26 6.02 -1.23 -4.62 117.38 123.54 1crr n GLN 95 Ca 0.01 -0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 1crr n GLN 95 Cb 0.26 -1.07 0.73 0.00 1.02 0.00 0.00 30.24 31.19 1crr n GLN 95 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1crr h TYR 96 N 0.00 0.00 -0.38 1.08 -1.99 -1.41 -2.08 116.97 112.18 1crr h TYR 96 Ca -0.06 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1crr h TYR 96 Cb 1.01 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.74 1crr h TYR 96 CO 0.00 0.10 0.00 2.89 -0.00 0.00 0.00 178.16 181.16 1crr n ARG 97 N -3.44 3.61 -0.06 4.88 1.85 -1.22 -3.51 116.66 118.77 1crr n ARG 97 Ca -0.01 -2.10 -0.08 0.00 -1.00 0.00 0.00 57.85 54.65 1crr n ARG 97 Cb 0.26 -2.01 -0.05 0.00 -1.05 0.00 0.00 32.46 29.61 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1crr n GLU 98 N 0.41 0.28 0.13 2.89 -0.58 -0.79 -4.08 120.64 118.90 1crr n GLU 98 Ca 0.19 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.99 1crr n GLU 98 Cb 0.89 -1.20 0.25 0.00 -0.57 0.00 0.00 31.44 30.81 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1crr h GLN 99 N -0.04 0.12 -0.39 3.49 5.75 -1.67 0.00 115.11 122.38 1crr h GLN 99 Ca -0.25 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.03 1crr h GLN 99 Cb 1.38 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 1crr h GLN 99 CO -0.05 0.55 -0.36 0.82 -2.65 0.00 0.00 178.83 177.15 1crr h ILE 100 N 0.10 1.27 0.00 2.39 2.04 -1.79 -1.17 117.51 120.36 1crr h ILE 100 Ca 0.01 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 1crr h ILE 100 Cb 0.84 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1crr h ILE 100 CO 0.06 0.51 -0.13 0.11 0.00 0.00 0.00 178.15 178.70 1crr h LYS 101 N 0.76 0.00 0.38 2.37 1.57 -1.57 -2.85 116.57 117.24 1crr h LYS 101 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1crr h LYS 101 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1crr h LYS 101 CO 0.09 0.13 -0.18 -0.09 -0.57 0.00 0.00 179.45 178.83 1crr h ARG 102 N 0.00 -0.50 0.03 3.15 2.43 0.17 0.13 114.38 119.80 1crr h ARG 102 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1crr h ARG 102 Cb 0.37 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1crr h ARG 102 CO 0.02 -0.19 -0.06 0.28 -1.51 0.00 0.00 179.97 178.51 1crr h VAL 103 N -0.96 0.00 0.00 0.20 2.07 -1.18 -1.87 116.25 114.51 1crr h VAL 103 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1crr h VAL 103 Cb 0.54 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1crr h VAL 103 CO 0.09 0.00 -0.08 0.11 0.02 0.00 0.00 177.57 177.70 1crr h LYS 104 N -0.09 0.00 -4.65 1.57 6.56 -1.66 -3.46 116.57 114.84 1crr h LYS 104 Ca -0.00 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.24 1crr h LYS 104 Cb 0.09 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 1crr h LYS 104 CO -0.02 0.08 -0.50 -0.25 -2.06 0.00 0.00 179.45 176.70 1crr n ASP 105 N -4.04 -4.49 0.00 0.86 8.00 0.47 -4.76 116.55 112.59 1crr n ASP 105 Ca -0.03 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1crr n ASP 105 Cb 0.17 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 1crr n ASP 105 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1crr n SER 106 N -2.21 1.11 -3.49 -2.24 2.88 -1.24 -5.03 113.62 103.40 1crr n SER 106 Ca -0.09 -0.01 -0.18 0.00 -1.33 0.00 0.00 58.87 57.26 1crr n SER 106 Cb 0.59 0.24 0.08 0.00 -0.75 0.00 0.00 64.21 64.37 1crr n SER 106 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1crr n ASP 107 N -0.35 -2.32 -2.73 -3.46 8.00 -1.26 -4.92 116.55 109.51 1crr n ASP 107 Ca 0.00 -0.64 -0.04 0.00 0.71 0.00 0.00 54.79 54.82 1crr n ASP 107 Cb 0.00 -4.97 0.08 0.00 -0.02 0.00 0.00 41.12 36.21 1crr n ASP 107 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1crr n ASP 108 N -3.11 0.01 -4.89 -2.24 8.00 -1.26 -5.11 116.55 107.95 1crr n ASP 108 Ca -0.26 -2.32 -0.31 0.00 0.71 0.00 0.00 54.79 52.61 1crr n ASP 108 Cb 0.66 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.84 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1crr s VAL 109 N -1.77 5.07 -0.98 2.53 1.01 -1.26 -4.96 120.40 120.04 1crr s VAL 109 Ca 0.21 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1crr s VAL 109 Cb 0.40 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 1crr s VAL 109 CO -0.06 -0.07 2.01 -2.16 0.00 0.00 0.00 175.10 174.82 1crr s PRO 110 N -2.90 2.33 0.32 2.72 0.05 -1.24 -4.91 135.00 131.36 1crr s PRO 110 Ca 0.43 -0.44 -0.12 0.00 0.05 0.00 0.00 61.00 60.92 1crr s PRO 110 Cb -0.11 -5.07 -0.08 0.00 0.05 0.00 0.00 34.50 29.29 1crr s PRO 110 CO 0.25 -3.82 0.68 1.41 0.05 0.00 0.00 177.00 175.57 1crr s MET 111 N 7.19 3.86 -0.17 4.56 1.75 -1.26 -2.82 119.30 132.42 1crr s MET 111 Ca 0.73 0.47 -0.09 0.00 -1.25 0.00 0.00 55.69 55.55 1crr s MET 111 Cb -0.06 -2.49 0.06 0.00 2.84 0.00 0.00 34.83 35.19 1crr s MET 111 CO 0.05 0.15 0.40 0.08 -0.65 0.00 0.00 175.02 175.06 1crr s VAL 112 N -2.05 -0.10 -0.37 10.11 1.01 -0.90 -4.58 120.40 123.52 1crr s VAL 112 Ca 0.51 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 1crr s VAL 112 Cb -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.70 1crr s VAL 112 CO 0.23 0.04 0.19 -0.22 0.00 0.00 0.00 175.10 175.34 1crr s LEU 113 N 1.54 4.66 0.19 3.92 2.96 -1.13 -1.83 118.68 128.99 1crr s LEU 113 Ca -0.09 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 52.71 1crr s LEU 113 Cb -0.09 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1crr s LEU 113 CO -0.13 -0.39 0.41 -0.69 -1.32 0.00 0.00 176.35 174.24 1crr s VAL 114 N 1.50 5.16 -0.82 1.68 1.01 -1.10 -2.07 120.40 125.76 1crr s VAL 114 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1crr s VAL 114 Cb -0.20 -3.69 0.20 0.00 0.00 0.00 0.00 36.38 32.69 1crr s VAL 114 CO 0.05 -0.12 0.67 -0.83 0.00 0.00 0.00 175.10 174.87 1crr s GLY 115 N -2.89 2.99 0.84 4.51 0.00 0.53 -1.50 107.32 111.79 1crr s GLY 115 Ca 0.40 -3.79 -0.10 0.00 0.00 0.00 0.00 44.72 41.23 1crr s GLY 115 CO 0.28 1.15 1.11 0.21 0.00 0.00 0.00 173.10 175.85 1crr s ASN 116 N -0.43 3.75 -1.09 1.64 3.04 -0.57 -1.18 114.94 120.10 1crr s ASN 116 Ca 0.26 1.96 -0.05 0.00 0.04 0.00 0.00 52.86 55.06 1crr s ASN 116 Cb -0.08 -2.53 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 1crr s ASN 116 CO -0.13 -2.54 0.71 0.29 -3.04 0.00 0.00 177.10 172.40 1crr n LYS 117 N -3.85 -5.07 0.07 0.43 5.02 -0.38 -2.05 118.16 112.33 1crr n LYS 117 Ca 0.10 0.65 0.01 0.00 -2.02 0.00 0.00 58.31 57.06 1crr n LYS 117 Cb 0.53 -5.07 -0.05 0.00 -0.02 0.00 0.00 35.03 30.42 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1crr h ASP 119 N 0.00 0.00 -3.35 0.00 2.03 -1.91 -3.41 116.42 109.78 1crr h ASP 119 Ca -0.10 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.67 1crr h ASP 119 Cb 1.50 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 40.07 1crr h ASP 119 CO 0.05 0.00 0.83 -0.76 -1.03 0.00 0.00 179.24 178.33 1crr s LEU 120 N -8.55 4.36 0.05 0.15 1.43 -1.25 -4.92 118.68 109.95 1crr s LEU 120 Ca -0.05 2.82 -0.26 0.00 -1.03 0.00 0.00 54.13 55.60 1crr s LEU 120 Cb 0.20 -3.63 -0.17 0.00 0.03 0.00 0.00 46.19 42.62 1crr s LEU 120 CO 0.73 -0.81 1.51 0.00 0.23 0.00 0.00 176.35 178.00 1crr h ALA 121 N 4.96 -0.32 -2.28 4.21 0.00 -1.94 -3.43 119.26 120.47 1crr h ALA 121 Ca -0.46 -0.13 -0.51 0.00 0.00 0.00 0.00 54.91 53.80 1crr h ALA 121 Cb 1.22 0.12 0.18 0.00 0.00 0.00 0.00 17.79 19.31 1crr h ALA 121 CO 0.79 -0.60 0.25 0.00 0.00 0.00 0.00 179.25 179.69 1crr s ALA 122 N -5.51 1.65 -0.30 0.00 0.00 -1.26 -5.04 121.76 111.30 1crr s ALA 122 Ca -0.15 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1crr s ALA 122 Cb 0.04 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.94 1crr s ALA 122 CO 0.62 -2.49 0.69 -0.98 0.00 0.00 0.00 175.76 173.60 1crr s ARG 123 N -4.73 0.52 0.31 0.00 1.70 -1.26 -4.98 118.95 110.50 1crr s ARG 123 Ca 0.65 1.10 0.09 0.00 -0.47 0.00 0.00 55.73 57.10 1crr s ARG 123 Cb -0.21 0.64 0.48 0.00 -0.57 0.00 0.00 34.95 35.29 1crr s ARG 123 CO 0.58 -0.38 1.70 1.79 -1.08 0.00 0.00 175.30 177.90 1crr h THR 124 N 5.90 1.34 -3.35 4.99 1.35 -1.78 -3.42 112.91 117.94 1crr h THR 124 Ca -0.20 -1.67 -0.57 0.00 -0.55 0.00 0.00 66.41 63.43 1crr h THR 124 Cb 1.13 1.85 -0.07 0.00 -1.73 0.00 0.00 68.15 69.33 1crr h THR 124 CO 0.16 0.48 -0.01 -0.69 -0.25 0.00 0.00 175.52 175.21 1crr s VAL 125 N -3.97 5.11 0.94 6.82 1.01 -1.26 -5.02 120.40 124.03 1crr s VAL 125 Ca -0.03 1.20 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 1crr s VAL 125 Cb 0.13 -3.93 0.16 0.00 0.00 0.00 0.00 36.38 32.74 1crr s VAL 125 CO 0.76 0.27 1.18 -1.61 0.00 0.00 0.00 175.10 175.69 1crr s GLU 126 N 0.86 0.88 0.11 2.72 2.02 -1.26 -4.96 118.70 119.08 1crr s GLU 126 Ca 0.31 0.08 0.26 0.00 0.02 0.00 0.00 54.97 55.65 1crr s GLU 126 Cb -0.16 -1.83 0.77 0.00 0.10 0.00 0.00 34.13 33.00 1crr s GLU 126 CO 0.14 -2.33 1.66 0.43 0.02 0.00 0.00 175.26 175.18 1crr n SER 127 N -3.82 0.56 -0.03 -0.19 7.64 -1.26 -3.76 113.62 112.75 1crr n SER 127 Ca 0.09 0.35 0.04 0.00 1.01 0.00 0.00 58.87 60.37 1crr n SER 127 Cb 0.60 -0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 63.27 1crr n SER 127 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1crr n ARG 128 N -1.95 0.72 0.11 1.43 -4.01 -1.26 -3.93 116.66 107.77 1crr n ARG 128 Ca 0.05 -0.13 -0.12 0.00 -1.04 0.00 0.00 57.85 56.62 1crr n ARG 128 Cb 0.40 -1.47 -0.08 0.00 -3.04 0.00 0.00 32.46 28.27 1crr n ARG 128 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 1crr h GLN 129 N 0.00 -0.32 0.00 2.89 4.20 -1.95 -1.66 115.11 118.28 1crr h GLN 129 Ca -0.16 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1crr h GLN 129 Cb 1.29 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1crr h GLN 129 CO 0.01 0.05 -0.05 0.00 -0.67 0.00 0.00 178.83 178.17 1crr h ALA 130 N -0.32 1.81 -0.18 3.87 0.00 -1.80 -0.58 119.26 122.06 1crr h ALA 130 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1crr h ALA 130 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1crr h ALA 130 CO 0.05 0.06 -0.41 1.96 0.00 0.00 0.00 179.25 180.91 1crr h GLN 131 N 0.00 0.43 0.00 0.00 4.20 -1.65 -2.37 115.11 115.72 1crr h GLN 131 Ca -0.00 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1crr h GLN 131 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1crr h GLN 131 CO 0.01 0.77 -0.35 -0.44 -0.67 0.00 0.00 178.83 178.15 1crr h ASP 132 N 0.36 0.00 0.00 1.46 3.32 -0.12 -2.22 116.42 119.22 1crr h ASP 132 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1crr h ASP 132 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1crr h ASP 132 CO 0.07 0.35 -0.03 0.25 -1.72 0.00 0.00 179.24 178.16 1crr h LEU 133 N 0.00 0.00 -0.96 1.55 7.12 -1.17 -3.19 115.31 118.66 1crr h LEU 133 Ca -0.00 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.08 1crr h LEU 133 Cb 0.79 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.85 1crr h LEU 133 CO 0.05 0.40 0.61 0.00 -0.13 0.00 0.00 178.44 179.37 1crr h ALA 134 N -1.23 1.34 -0.17 1.25 0.00 -1.54 -1.36 119.26 117.55 1crr h ALA 134 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1crr h ALA 134 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1crr h ALA 134 CO 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1crr h ARG 135 N 1.10 0.25 -0.09 0.00 3.08 -1.56 -0.08 114.38 117.08 1crr h ARG 135 Ca 0.42 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1crr h ARG 135 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1crr h ARG 135 CO -0.18 0.29 -0.00 1.03 -1.07 0.00 0.00 179.97 180.04 1crr h SER 136 N 0.24 0.11 -0.00 7.04 0.87 -1.23 -2.02 113.55 118.56 1crr h SER 136 Ca 0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1crr h SER 136 Cb 0.20 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1crr h SER 136 CO 0.01 0.14 -0.84 -1.22 -0.53 0.00 0.00 176.83 174.39 1crr n TYR 137 N -4.46 0.00 -2.00 2.24 4.02 -0.60 -5.00 117.16 111.36 1crr n TYR 137 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1crr n TYR 137 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.47 1crr n TYR 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1crr n GLY 138 N 1.45 0.37 2.99 2.72 0.00 -0.14 -5.08 105.19 107.51 1crr n GLY 138 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1crr n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1crr s ILE 139 N -3.10 0.23 0.51 -0.61 -4.36 -0.91 -4.98 121.20 107.97 1crr s ILE 139 Ca 0.10 -0.83 -0.22 0.00 -0.26 0.00 0.00 60.65 59.44 1crr s ILE 139 Cb -0.01 -0.34 -0.06 0.00 1.25 0.00 0.00 42.46 43.30 1crr s ILE 139 CO 0.19 -0.39 1.20 -2.16 0.24 0.00 0.00 174.94 174.02 1crr s PRO 140 N -1.28 3.48 -0.36 0.37 0.04 -1.26 -4.40 135.00 131.58 1crr s PRO 140 Ca -0.12 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 1crr s PRO 140 Cb -0.09 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1crr s PRO 140 CO -0.00 -0.79 0.11 -0.47 0.04 0.00 0.00 177.00 175.88 1crr s TYR 141 N -1.55 3.47 0.55 0.56 5.04 -1.26 -2.86 117.35 121.31 1crr s TYR 141 Ca 0.68 -2.23 0.07 0.00 -2.44 0.00 0.00 57.07 53.15 1crr s TYR 141 Cb -0.30 -2.76 0.07 0.00 0.35 0.00 0.00 41.96 39.33 1crr s TYR 141 CO 0.35 -0.90 0.58 -0.89 -1.34 0.00 0.00 175.55 173.35 1crr n ILE 142 N 4.58 0.00 -3.66 3.14 5.41 -0.88 -4.98 119.36 122.98 1crr n ILE 142 Ca -0.06 -2.02 -0.16 0.00 1.00 0.00 0.00 62.75 61.52 1crr n ILE 142 Cb 0.42 -0.27 -0.15 0.00 -0.71 0.00 0.00 39.64 38.94 1crr n ILE 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1crr s GLU 143 N -4.38 0.08 0.33 0.38 -1.05 -1.26 -0.35 118.70 112.45 1crr s GLU 143 Ca 0.44 0.62 0.09 0.00 -0.15 0.00 0.00 54.97 55.98 1crr s GLU 143 Cb -0.04 -0.21 -0.05 0.00 -0.44 0.00 0.00 34.13 33.39 1crr s GLU 143 CO 0.28 -0.31 0.03 0.95 0.95 0.00 0.00 175.26 177.16 1crr s THR 144 N 2.34 2.82 -0.29 1.83 -4.23 -0.33 -4.14 115.64 113.64 1crr s THR 144 Ca 0.02 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1crr s THR 144 Cb -0.12 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.09 1crr s THR 144 CO -0.07 -0.22 0.63 -0.55 -0.54 0.00 0.00 174.62 173.86 1crr s SER 145 N -3.73 -1.53 0.38 3.99 0.15 -0.18 -1.25 113.70 111.53 1crr s SER 145 Ca 0.35 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.49 1crr s SER 145 Cb -0.02 1.99 1.36 0.00 -1.71 0.00 0.00 66.02 67.64 1crr s SER 145 CO 0.20 -0.28 1.80 0.00 1.20 0.00 0.00 173.24 176.16 1crr h ALA 146 N 7.95 1.00 0.00 5.45 0.00 -1.92 -2.32 119.26 129.42 1crr h ALA 146 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1crr h ALA 146 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1crr h ALA 146 CO 0.14 0.00 0.07 -0.22 0.00 0.00 0.00 179.25 179.24 1crr h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.95 -3.23 116.57 115.04 1crr h LYS 147 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1crr h LYS 147 Cb 0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1crr h LYS 147 CO 0.00 0.00 -0.14 -2.37 -2.27 0.00 0.00 179.45 174.67 1crr n THR 148 N -2.81 0.00 -2.49 1.00 5.66 -0.98 -4.98 114.28 109.69 1crr n THR 148 Ca -0.02 -0.03 -0.17 0.00 -3.05 0.00 0.00 64.05 60.78 1crr n THR 148 Cb 0.13 0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.10 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crr n ARG 149 N 0.02 -2.18 -3.26 1.09 5.12 -0.91 -4.92 116.66 111.63 1crr n ARG 149 Ca -0.07 0.78 -0.42 0.00 -1.93 0.00 0.00 57.85 56.21 1crr n ARG 149 Cb 0.59 -5.43 -0.08 0.00 -1.16 0.00 0.00 32.46 26.38 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1crr s GLN 150 N -5.11 3.37 0.00 5.56 2.00 -1.04 -4.06 119.66 120.40 1crr s GLN 150 Ca 0.03 -0.43 0.00 0.00 -2.00 0.00 0.00 55.36 52.96 1crr s GLN 150 Cb -0.01 -3.89 0.00 0.00 0.80 0.00 0.00 33.01 29.91 1crr s GLN 150 CO 0.04 -0.77 0.00 0.41 -0.50 0.00 0.00 175.29 174.46 1crr n GLY 151 N 4.96 2.80 0.43 2.59 0.00 -1.26 -1.01 105.19 113.71 1crr n GLY 151 Ca -0.05 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.21 1crr n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1crr h VAL 152 N 0.00 0.61 0.56 1.61 2.07 -1.81 -2.09 116.25 117.19 1crr h VAL 152 Ca 0.00 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1crr h VAL 152 Cb 0.00 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1crr h VAL 152 CO 0.00 0.04 -0.27 -0.33 0.02 0.00 0.00 177.57 177.03 1crr h GLU 153 N 0.19 -0.72 -0.75 1.57 5.08 -1.90 -2.93 114.58 115.11 1crr h GLU 153 Ca 0.45 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 59.08 1crr h GLU 153 Cb 1.45 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.83 1crr h GLU 153 CO -0.10 -0.48 0.60 -0.44 -1.00 0.00 0.00 179.01 177.59 1crr h ASP 154 N -1.10 0.00 0.00 1.42 3.32 -1.79 -1.36 116.42 116.90 1crr h ASP 154 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1crr h ASP 154 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1crr h ASP 154 CO 0.13 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1crr n ALA 155 N -2.59 -0.19 0.18 3.45 0.00 -0.86 -2.39 120.51 118.12 1crr n ALA 155 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 1crr n ALA 155 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.26 1crr n ALA 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1crr h PHE 156 N 0.00 -0.96 0.01 0.00 -1.00 -1.38 -1.71 116.94 111.90 1crr h PHE 156 Ca 0.00 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1crr h PHE 156 Cb 0.00 0.39 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 1crr h PHE 156 CO 0.09 -0.48 -0.47 1.88 -1.61 0.00 0.00 178.31 177.72 1crr h TYR 157 N -0.67 -1.36 -0.25 -0.55 -1.99 -1.42 -0.17 116.97 110.56 1crr h TYR 157 Ca -0.00 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.84 1crr h TYR 157 Cb 0.64 0.59 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 1crr h TYR 157 CO -0.25 -0.50 0.25 1.15 -0.00 0.00 0.00 178.16 178.82 1crr h THR 158 N -0.59 0.50 -0.11 -2.88 2.02 -1.44 -1.60 112.91 108.80 1crr h THR 158 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1crr h THR 158 Cb 0.63 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1crr h THR 158 CO -0.30 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 175.81 1crr h LEU 159 N 0.00 0.22 -1.94 2.58 6.46 -0.08 -2.72 115.31 119.82 1crr h LEU 159 Ca 0.12 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.49 1crr h LEU 159 Cb 0.62 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1crr h LEU 159 CO -0.00 0.53 -0.11 0.58 -0.62 0.00 0.00 178.44 178.82 1crr h VAL 160 N -0.10 0.51 -0.13 1.05 2.07 -0.69 -2.25 116.25 116.70 1crr h VAL 160 Ca 0.03 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 1crr h VAL 160 Cb 0.44 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1crr h VAL 160 CO 0.01 0.10 -0.62 0.03 0.02 0.00 0.00 177.57 177.12 1crr h ARG 161 N 0.00 0.47 -0.07 1.57 2.47 -1.19 -2.13 114.38 115.50 1crr h ARG 161 Ca -0.00 -0.33 -0.14 0.00 -1.26 0.00 0.00 59.98 58.25 1crr h ARG 161 Cb 0.32 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1crr h ARG 161 CO 0.01 0.94 -0.51 0.93 0.56 0.00 0.00 179.97 181.90 1crr h GLU 162 N 0.35 0.46 -0.38 0.04 4.39 -1.13 -3.08 114.58 115.23 1crr h GLU 162 Ca -0.01 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 1crr h GLU 162 Cb 1.16 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1crr h GLU 162 CO 0.11 1.05 0.01 0.82 -1.16 0.00 0.00 179.01 179.84 1crr h ILE 163 N 0.02 1.21 0.21 3.13 2.04 -1.49 -2.96 117.51 119.66 1crr h ILE 163 Ca -0.05 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1crr h ILE 163 Cb 1.18 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1crr h ILE 163 CO 0.10 0.29 -0.10 0.03 0.00 0.00 0.00 178.15 178.47 1crr h ARG 164 N 0.57 -0.28 0.03 2.37 3.08 -1.39 -3.20 114.38 115.56 1crr h ARG 164 Ca 0.12 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1crr h ARG 164 Cb 0.35 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1crr h ARG 164 CO 0.01 -0.17 -0.39 0.37 -1.07 0.00 0.00 179.97 178.72 1crr h GLN 165 N -0.30 -0.49 0.00 0.04 -0.00 -1.43 -3.52 115.11 109.41 1crr h GLN 165 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1crr h GLN 165 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.82 1crr h GLN 165 CO 0.05 -0.33 0.00 1.58 0.00 0.00 0.00 178.83 180.13