#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crr n THR 2 N 0.00 -1.17 -3.98 1.12 -1.04 -1.26 -3.84 114.28 104.12 1crr n THR 2 Ca 0.00 0.96 -0.09 0.00 -2.04 0.00 0.00 64.05 62.88 1crr n THR 2 Cb 0.00 -1.47 -0.11 0.00 -1.82 0.00 0.00 70.33 66.93 1crr n THR 2 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1crr s GLU 3 N -4.39 0.40 0.03 -2.82 -6.30 -1.26 -2.49 118.70 101.86 1crr s GLU 3 Ca 0.00 -0.68 0.02 0.00 -2.50 0.00 0.00 54.97 51.80 1crr s GLU 3 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 34.13 34.26 1crr s GLU 3 CO 0.00 -0.08 -0.06 0.71 0.02 0.00 0.00 175.26 175.85 1crr s TYR 4 N -1.90 0.55 -0.27 5.30 2.02 -1.10 -4.99 117.35 116.96 1crr s TYR 4 Ca -0.12 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 1crr s TYR 4 Cb -0.06 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 1crr s TYR 4 CO -0.02 -0.07 0.08 0.21 -1.57 0.00 0.00 175.55 174.18 1crr s LYS 5 N -1.13 3.38 -1.19 -0.62 2.20 -1.26 -2.37 119.74 118.76 1crr s LYS 5 Ca -0.07 -0.66 -0.18 0.00 -0.36 0.00 0.00 55.97 54.69 1crr s LYS 5 Cb -0.08 -3.36 0.09 0.00 -1.51 0.00 0.00 37.83 32.97 1crr s LYS 5 CO 0.00 -0.32 1.57 -0.51 -0.36 0.00 0.00 175.35 175.74 1crr s LEU 6 N 1.57 4.08 -0.71 5.43 1.02 -0.93 -2.49 118.68 126.65 1crr s LEU 6 Ca 0.05 -2.29 -0.26 0.00 0.02 0.00 0.00 54.13 51.64 1crr s LEU 6 Cb -0.16 -2.53 -0.10 0.00 0.02 0.00 0.00 46.19 43.42 1crr s LEU 6 CO 0.03 -1.16 2.31 -0.69 0.02 0.00 0.00 176.35 176.86 1crr s VAL 7 N 3.80 3.09 -0.02 -1.59 1.01 0.76 -2.64 120.40 124.80 1crr s VAL 7 Ca 0.49 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1crr s VAL 7 Cb 0.01 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1crr s VAL 7 CO 0.01 -0.21 0.43 -0.69 0.00 0.00 0.00 175.10 174.65 1crr s VAL 8 N 13.03 5.04 0.00 2.92 1.01 -1.10 -2.22 120.40 139.08 1crr s VAL 8 Ca 0.89 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 63.53 1crr s VAL 8 Cb -0.13 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1crr s VAL 8 CO 0.13 0.52 0.51 -0.69 0.00 0.00 0.00 175.10 175.57 1crr s VAL 9 N -0.68 0.03 0.00 2.92 1.01 -1.13 -4.57 120.40 117.98 1crr s VAL 9 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1crr s VAL 9 Cb -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1crr s VAL 9 CO 0.13 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1crr n GLY 10 N 0.79 -0.55 1.10 4.51 0.00 -1.26 -0.92 105.19 108.86 1crr n GLY 10 Ca -0.19 0.49 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr n ALA 11 N 0.00 -3.28 -4.04 4.61 0.00 -1.26 -4.56 120.51 111.98 1crr n ALA 11 Ca 0.00 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1crr n ALA 11 Cb 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 1crr n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crr s GLY 12 N -5.68 1.57 0.00 0.00 0.00 -1.26 -4.59 107.32 97.37 1crr s GLY 12 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1crr s GLY 12 CO 0.00 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1crr n GLY 13 N 4.49 1.46 0.09 0.20 0.00 -1.26 -5.01 105.19 105.16 1crr n GLY 13 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 1.55 0.00 1.61 -1.51 -1.81 -3.48 116.25 112.61 1crr h VAL 14 Ca 0.00 -3.15 0.00 0.00 -1.23 0.00 0.00 66.70 62.32 1crr h VAL 14 Cb 0.00 2.93 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1crr h VAL 14 CO 0.00 0.91 0.00 0.61 -1.23 0.00 0.00 177.57 177.86 1crr n GLY 15 N 1.49 1.99 0.27 5.19 0.00 -1.26 -4.41 105.19 108.46 1crr n GLY 15 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1crr n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1crr h LYS 16 N 0.00 0.95 0.19 1.61 2.10 -1.92 -2.61 116.57 116.89 1crr h LYS 16 Ca 0.00 -0.49 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1crr h LYS 16 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1crr h LYS 16 CO 0.00 1.15 -0.09 0.77 -2.00 0.00 0.00 179.45 179.28 1crr h SER 17 N 0.78 -0.21 -1.08 7.07 0.02 -1.96 -2.43 113.55 115.74 1crr h SER 17 Ca 0.07 -0.27 0.31 0.00 -0.84 0.00 0.00 61.79 61.06 1crr h SER 17 Cb 0.96 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 1crr h SER 17 CO 0.09 0.34 0.84 0.00 -1.14 0.00 0.00 176.83 176.96 1crr h ALA 18 N -0.55 2.98 -0.04 3.77 0.00 -1.84 0.31 119.26 123.89 1crr h ALA 18 Ca -0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1crr h ALA 18 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1crr h ALA 18 CO 0.04 -1.40 -0.20 -0.07 0.00 0.00 0.00 179.25 177.62 1crr h LEU 19 N 0.00 0.25 0.78 0.00 3.38 -1.40 -2.60 115.31 115.72 1crr h LEU 19 Ca 0.51 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1crr h LEU 19 Cb 2.19 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.87 1crr h LEU 19 CO -0.01 0.87 -0.37 0.74 0.09 0.00 0.00 178.44 179.76 1crr h THR 20 N -0.34 0.00 -1.01 0.22 2.02 0.09 -2.63 112.91 111.26 1crr h THR 20 Ca -0.01 -0.03 0.27 0.00 0.77 0.00 0.00 66.41 67.41 1crr h THR 20 Cb 0.86 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1crr h THR 20 CO 0.04 0.00 0.69 0.40 0.37 0.00 0.00 175.52 177.03 1crr h ILE 21 N -1.08 0.53 0.52 3.11 5.03 -1.43 -1.28 117.51 122.91 1crr h ILE 21 Ca -0.11 -0.07 -0.02 0.00 -0.12 0.00 0.00 64.86 64.55 1crr h ILE 21 Cb 0.80 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 1crr h ILE 21 CO 0.18 0.04 -0.41 -0.61 -0.68 0.00 0.00 178.15 176.66 1crr h GLN 22 N 0.20 -0.88 -0.04 2.37 4.15 -1.09 0.20 115.11 120.02 1crr h GLN 22 Ca 0.52 0.06 0.01 0.00 0.77 0.00 0.00 58.65 60.01 1crr h GLN 22 Cb 1.68 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 29.57 1crr h GLN 22 CO -0.13 -0.59 0.13 1.25 -1.93 0.00 0.00 178.83 177.56 1crr h LEU 23 N -0.92 0.00 0.00 -2.39 5.85 -1.06 0.12 115.31 116.92 1crr h LEU 23 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1crr h LEU 23 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1crr h LEU 23 CO -0.00 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.72 1crr n ILE 24 N -3.25 0.00 0.19 4.05 5.41 -0.30 -4.70 119.36 120.76 1crr n ILE 24 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.80 1crr n ILE 24 Cb 0.21 -0.49 0.31 0.00 -0.71 0.00 0.00 39.64 38.95 1crr n ILE 24 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1crr h GLN 25 N 0.00 0.00 -4.10 0.38 1.08 -0.80 -3.49 115.11 108.19 1crr h GLN 25 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1crr h GLN 25 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1crr h GLN 25 CO 0.00 0.33 -0.40 -1.71 -0.95 0.00 0.00 178.83 176.10 1crr n ASN 26 N -3.38 -5.02 -3.16 1.46 5.15 0.43 -5.00 115.26 105.73 1crr n ASN 26 Ca 0.01 0.54 0.05 0.00 -0.60 0.00 0.00 54.58 54.57 1crr n ASN 26 Cb 0.53 -3.20 -0.03 0.00 -0.53 0.00 0.00 39.78 36.55 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1crr s HIS 27 N -1.23 -0.05 -0.46 1.20 -3.43 -1.26 -5.01 115.29 105.05 1crr s HIS 27 Ca 0.05 0.08 -0.28 0.00 -0.80 0.00 0.00 55.06 54.11 1crr s HIS 27 Cb -0.01 0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 31.07 1crr s HIS 27 CO 0.39 -0.03 2.37 0.34 -2.00 0.00 0.00 174.74 175.82 1crr n PHE 28 N 4.86 1.48 -3.53 0.38 7.35 -1.26 -4.67 117.46 122.07 1crr n PHE 28 Ca -0.07 0.11 -0.36 0.00 -0.76 0.00 0.00 57.45 56.36 1crr n PHE 28 Cb 0.55 -2.62 -0.07 0.00 0.35 0.00 0.00 39.48 37.70 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 10.34 5.30 -0.08 -2.13 -7.23 -1.26 -4.96 120.40 120.38 1crr s VAL 29 Ca 1.04 0.56 0.29 0.00 -1.81 0.00 0.00 61.98 62.06 1crr s VAL 29 Cb -0.42 -3.64 0.35 0.00 0.56 0.00 0.00 36.38 33.23 1crr s VAL 29 CO 0.34 0.39 1.83 0.44 -0.31 0.00 0.00 175.10 177.79 1crr h ASP 30 N 6.67 0.00 0.00 4.85 5.19 -2.00 -3.42 116.42 127.71 1crr h ASP 30 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1crr h ASP 30 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1crr h ASP 30 CO 0.76 0.04 0.00 -1.84 -3.12 0.00 0.00 179.24 175.07 1crr n GLU 31 N -3.13 0.00 -0.49 3.56 0.28 -1.26 -5.02 120.64 114.59 1crr n GLU 31 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.08 1crr n GLU 31 Cb 0.40 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.54 1crr n GLU 31 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crr n TYR 32 N 0.00 1.16 0.00 -1.84 4.19 -1.26 -4.50 117.16 114.91 1crr n TYR 32 Ca 0.00 -0.45 0.00 0.00 3.31 0.00 0.00 57.90 60.76 1crr n TYR 32 Cb 0.00 -0.23 0.00 0.00 0.49 0.00 0.00 39.34 39.60 1crr n TYR 32 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 1crr n ASP 33 N 0.72 0.00 0.29 2.98 5.75 -1.26 -4.93 116.55 120.09 1crr n ASP 33 Ca 0.19 0.00 0.17 0.00 -0.01 0.00 0.00 54.79 55.14 1crr n ASP 33 Cb 0.73 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 41.65 1crr n ASP 33 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1crr h PRO 34 N 0.00 0.00 0.00 0.11 0.13 -1.98 -3.28 132.00 126.98 1crr h PRO 34 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1crr h PRO 34 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1crr h PRO 34 CO 0.00 0.06 -0.43 0.25 -0.23 0.00 0.00 178.00 177.65 1crr n THR 35 N -3.30 0.00 -3.83 1.56 -2.24 -1.26 -4.83 114.28 100.38 1crr n THR 35 Ca -0.01 -0.21 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1crr n THR 35 Cb 0.23 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.00 5.37 -0.52 2.28 1.01 -1.24 -4.88 121.20 123.22 1crr s ILE 36 Ca 0.07 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1crr s ILE 36 Cb 0.08 -3.55 0.34 0.00 0.01 0.00 0.00 42.46 39.34 1crr s ILE 36 CO -0.03 0.35 0.89 -0.62 0.00 0.00 0.00 174.94 175.52 1crr n GLU 37 N 1.04 2.63 -4.17 2.79 -0.58 -1.26 -4.37 120.64 116.72 1crr n GLU 37 Ca -0.11 -4.46 -0.25 0.00 -0.42 0.00 0.00 57.16 51.92 1crr n GLU 37 Cb 0.53 -2.10 -0.06 0.00 -0.57 0.00 0.00 31.44 29.24 1crr n GLU 37 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1crr s ASP 38 N -3.19 5.12 -0.05 1.62 -1.08 -1.26 -5.07 116.67 112.76 1crr s ASP 38 Ca 0.47 -0.33 -0.16 0.00 -0.52 0.00 0.00 52.55 52.01 1crr s ASP 38 Cb 0.30 -1.20 -0.05 0.00 -1.46 0.00 0.00 42.92 40.51 1crr s ASP 38 CO -0.12 0.04 0.42 -0.94 0.52 0.00 0.00 175.17 175.08 1crr s SER 39 N -3.33 6.74 0.10 -0.34 1.04 -1.26 -4.46 113.70 112.18 1crr s SER 39 Ca 0.30 0.88 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1crr s SER 39 Cb -0.09 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1crr s SER 39 CO 0.22 0.20 0.34 -0.31 0.98 0.00 0.00 173.24 174.67 1crr s TYR 40 N -0.39 3.52 -0.02 5.02 2.02 -0.74 -4.98 117.35 121.78 1crr s TYR 40 Ca 0.24 0.58 0.02 0.00 -0.37 0.00 0.00 57.07 57.53 1crr s TYR 40 Cb -0.16 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1crr s TYR 40 CO 0.11 0.50 -0.05 1.03 -1.57 0.00 0.00 175.55 175.57 1crr s ARG 41 N -2.33 0.56 -0.27 -0.62 0.52 -1.26 -0.85 118.95 114.70 1crr s ARG 41 Ca 0.36 -0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1crr s ARG 41 Cb -0.13 -0.56 0.16 0.00 0.52 0.00 0.00 34.95 34.94 1crr s ARG 41 CO 0.22 0.07 0.51 0.21 0.02 0.00 0.00 175.30 176.33 1crr s LYS 42 N 0.17 0.47 0.03 3.54 2.36 -1.06 -4.99 119.74 120.25 1crr s LYS 42 Ca -0.02 0.88 -0.13 0.00 -2.55 0.00 0.00 55.97 54.15 1crr s LYS 42 Cb -0.06 0.19 -0.06 0.00 -1.05 0.00 0.00 37.83 36.86 1crr s LYS 42 CO -0.00 -0.57 0.41 1.14 1.55 0.00 0.00 175.35 177.88 1crr s GLN 43 N 2.73 3.87 0.35 4.03 -2.07 -1.26 -2.51 119.66 124.80 1crr s GLN 43 Ca 0.14 0.35 -0.13 0.00 -1.82 0.00 0.00 55.36 53.90 1crr s GLN 43 Cb -0.15 -3.14 0.03 0.00 -1.09 0.00 0.00 33.01 28.66 1crr s GLN 43 CO -0.18 0.65 0.67 0.14 -1.32 0.00 0.00 175.29 175.24 1crr s VAL 44 N -1.19 0.00 -0.41 3.63 -7.23 -1.25 -4.95 120.40 109.01 1crr s VAL 44 Ca 0.27 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 1crr s VAL 44 Cb -0.16 -2.64 0.10 0.00 0.56 0.00 0.00 36.38 34.25 1crr s VAL 44 CO 0.15 0.00 0.22 -0.69 -0.31 0.00 0.00 175.10 174.47 1crr s VAL 45 N -2.87 3.55 -1.31 1.32 1.01 -1.26 -2.24 120.40 118.59 1crr s VAL 45 Ca 0.19 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1crr s VAL 45 Cb -0.04 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.12 1crr s VAL 45 CO 0.13 -0.63 2.39 -0.38 0.00 0.00 0.00 175.10 176.61 1crr n ILE 46 N 4.69 5.23 -2.45 2.22 5.41 -1.26 -4.62 119.36 128.57 1crr n ILE 46 Ca -0.05 -4.31 -0.19 0.00 1.00 0.00 0.00 62.75 59.20 1crr n ILE 46 Cb 0.42 -2.06 -0.01 0.00 -0.71 0.00 0.00 39.64 37.28 1crr n ILE 46 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1crr n ASP 47 N 1.70 -5.41 0.00 4.38 8.00 -1.26 -4.86 116.55 119.09 1crr n ASP 47 Ca 0.62 0.02 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1crr n ASP 47 Cb 0.25 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 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 -0.99 2.09 2.66 0.44 0.00 -1.26 -5.06 105.19 103.06 1crr n GLY 48 Ca -0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 1.14 -3.35 1.61 -0.58 -1.26 -4.97 120.64 113.24 1crr n GLU 49 Ca 0.00 -3.09 -0.16 0.00 -0.42 0.00 0.00 57.16 53.49 1crr n GLU 49 Cb 0.00 -1.11 0.08 0.00 -0.57 0.00 0.00 31.44 29.83 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 -0.11 -7.66 -2.14 2.62 -1.04 -1.26 -4.05 114.28 100.63 1crr n THR 50 Ca 0.08 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.05 60.71 1crr n THR 50 Cb 0.82 -5.78 -0.03 0.00 -1.82 0.00 0.00 70.33 63.53 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 3.93 4.38 -0.54 0.00 0.20 -1.04 -3.75 118.68 121.86 1crr s LEU 52 Ca 0.67 2.52 -0.05 0.00 0.69 0.00 0.00 54.13 57.96 1crr s LEU 52 Cb -0.29 -3.60 0.14 0.00 -0.43 0.00 0.00 46.19 42.01 1crr s LEU 52 CO 0.25 -0.72 0.37 -0.76 -0.29 0.00 0.00 176.35 175.20 1crr s LEU 53 N 0.67 5.48 -0.61 -0.68 1.43 -1.05 -2.69 118.68 121.24 1crr s LEU 53 Ca 0.65 -2.36 -0.23 0.00 -1.03 0.00 0.00 54.13 51.16 1crr s LEU 53 Cb -0.41 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 43.96 1crr s LEU 53 CO 0.34 -0.52 0.95 -0.62 0.23 0.00 0.00 176.35 176.73 1crr s ASP 54 N 1.64 6.24 0.31 2.29 2.15 -1.00 -2.57 116.67 125.73 1crr s ASP 54 Ca 0.12 -0.70 -0.24 0.00 0.43 0.00 0.00 52.55 52.16 1crr s ASP 54 Cb -0.22 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 39.88 1crr s ASP 54 CO -0.03 -1.34 0.88 -0.63 -0.17 0.00 0.00 175.17 173.88 1crr s ILE 55 N 4.01 4.33 -0.10 4.11 -1.09 -0.03 -2.19 121.20 130.24 1crr s ILE 55 Ca 0.26 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.35 1crr s ILE 55 Cb -0.15 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 1crr s ILE 55 CO 0.14 0.11 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.56 1crr s LEU 56 N -2.15 1.89 0.28 2.97 2.96 -1.08 -1.79 118.68 121.77 1crr s LEU 56 Ca 0.49 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 1crr s LEU 56 Cb -0.17 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 1crr s LEU 56 CO 0.22 0.08 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.60 1crr s ASP 57 N 0.67 3.15 0.12 3.68 2.15 -1.26 -2.71 116.67 122.47 1crr s ASP 57 Ca -0.13 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 51.73 1crr s ASP 57 Cb -0.16 -0.24 0.01 0.00 -0.30 0.00 0.00 42.92 42.23 1crr s ASP 57 CO 0.03 -0.20 0.09 0.35 -0.17 0.00 0.00 175.17 175.28 1crr n THR 58 N -0.61 0.00 0.00 1.71 -2.24 -1.26 -4.76 114.28 107.12 1crr n THR 58 Ca -0.06 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1crr n THR 58 Cb 0.62 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1crr n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1crr n ALA 59 N -2.75 2.67 0.00 6.98 0.00 -1.26 -4.84 120.51 121.31 1crr n ALA 59 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1crr n ALA 59 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 1.82 1.35 3.69 0.00 0.00 -1.26 -4.89 105.19 105.89 1crr n GLY 60 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1crr n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1crr n GLN 61 N 0.00 1.02 -0.23 1.61 10.64 -1.26 -4.70 117.38 124.46 1crr n GLN 61 Ca 0.00 0.40 0.03 0.00 -1.83 0.00 0.00 57.00 55.60 1crr n GLN 61 Cb 0.00 -2.40 -0.01 0.00 -0.86 0.00 0.00 30.24 26.97 1crr n GLN 61 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1crr n GLU 62 N -1.60 -0.47 -2.68 2.61 1.02 -1.26 -4.85 120.64 113.40 1crr n GLU 62 Ca 0.15 0.31 -0.05 0.00 -0.02 0.00 0.00 57.16 57.54 1crr n GLU 62 Cb 0.48 -0.57 0.07 0.00 -0.02 0.00 0.00 31.44 31.40 1crr n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1crr n GLU 63 N -2.35 0.62 -0.01 3.49 1.02 -1.26 -4.98 120.64 117.17 1crr n GLU 63 Ca 0.00 -1.25 0.03 0.00 -0.02 0.00 0.00 57.16 55.93 1crr n GLU 63 Cb 0.11 -0.25 -0.06 0.00 -0.02 0.00 0.00 31.44 31.21 1crr n GLU 63 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1crr n TYR 64 N -0.14 0.00 -1.35 -0.32 4.11 -1.26 -5.12 117.16 113.08 1crr n TYR 64 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1crr n TYR 64 Cb 0.74 -0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1crr n TYR 64 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1crr n SER 65 N -1.83 -7.42 0.00 9.48 7.64 -1.26 -5.06 113.62 115.17 1crr n SER 65 Ca -0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1crr n SER 65 Cb 0.27 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1crr n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1crr n ALA 66 N -1.22 0.00 0.16 -0.43 0.00 -1.26 -4.94 120.51 112.83 1crr n ALA 66 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1crr n ALA 66 Cb 0.08 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.75 1crr n ALA 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1crr h MET 67 N 0.00 0.00 -0.81 0.00 4.05 -1.98 -3.11 114.93 113.09 1crr h MET 67 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1crr h MET 67 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1crr h MET 67 CO 0.00 0.47 0.43 -0.09 0.23 0.00 0.00 176.91 177.95 1crr h ARG 68 N 0.00 1.13 -0.16 0.39 2.43 -1.98 0.28 114.38 116.47 1crr h ARG 68 Ca -0.00 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1crr h ARG 68 Cb 1.09 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1crr h ARG 68 CO 0.06 0.85 0.04 0.22 -1.51 0.00 0.00 179.97 179.63 1crr h ASP 69 N 1.13 0.24 0.45 -3.80 3.58 -1.93 -1.81 116.42 114.28 1crr h ASP 69 Ca 0.28 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1crr h ASP 69 Cb 0.06 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1crr h ASP 69 CO -0.04 0.40 0.00 0.00 -2.88 0.00 0.00 179.24 176.72 1crr n GLN 70 N -4.82 0.19 0.01 0.28 6.02 -1.00 -2.57 117.38 115.50 1crr n GLN 70 Ca -0.05 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.95 1crr n GLN 70 Cb 0.16 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.78 1crr n GLN 70 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1crr h TYR 71 N 0.00 0.14 0.00 1.08 0.05 0.39 -2.37 116.97 116.26 1crr h TYR 71 Ca 0.00 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.59 1crr h TYR 71 Cb 0.23 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1crr h TYR 71 CO 0.00 1.16 -0.39 0.52 -1.05 0.00 0.00 178.16 178.39 1crr h MET 72 N 0.02 0.00 0.00 4.88 2.86 -1.17 -1.14 114.93 120.38 1crr h MET 72 Ca -0.24 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 1crr h MET 72 Cb 1.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.61 1crr h MET 72 CO 0.11 0.39 -1.10 0.07 1.06 0.00 0.00 176.91 177.44 1crr h ARG 73 N 0.00 0.00 0.00 1.72 -0.00 -1.59 -3.42 114.38 111.10 1crr h ARG 73 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1crr h ARG 73 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 1crr h ARG 73 CO 0.05 0.28 -0.25 0.25 -0.00 0.00 0.00 179.97 180.30 1crr n THR 74 N -2.94 0.61 -0.33 0.08 -2.24 -0.89 -4.98 114.28 103.59 1crr n THR 74 Ca -0.05 0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.81 1crr n THR 74 Cb 0.76 -1.88 0.27 0.00 -2.10 0.00 0.00 70.33 67.39 1crr n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1crr n GLY 75 N 1.65 -3.28 0.00 3.38 0.00 -0.44 -4.99 105.19 101.51 1crr n GLY 75 Ca -0.04 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1crr n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1crr n GLU 76 N -5.15 0.00 -2.56 1.61 4.71 -1.22 -4.85 120.64 113.19 1crr n GLU 76 Ca 0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.84 1crr n GLU 76 Cb 0.57 -0.47 -0.05 0.00 -1.01 0.00 0.00 31.44 30.48 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 -2.39 3.05 -0.44 0.62 0.00 -1.04 -4.23 107.32 102.90 1crr s GLY 77 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 44.72 45.55 1crr s GLY 77 CO 0.00 1.38 0.21 -1.36 0.00 0.00 0.00 173.10 173.33 1crr s PHE 78 N -1.22 2.45 -1.17 1.90 0.40 -1.15 -0.17 117.98 119.02 1crr s PHE 78 Ca 0.45 -2.61 -0.20 0.00 -0.60 0.00 0.00 56.93 53.98 1crr s PHE 78 Cb -0.29 -2.22 0.07 0.00 0.51 0.00 0.00 43.02 41.09 1crr s PHE 78 CO 0.37 -0.80 1.58 -1.17 0.70 0.00 0.00 175.22 175.90 1crr s LEU 79 N 0.39 3.88 -1.11 -0.37 2.96 -0.94 -0.66 118.68 122.82 1crr s LEU 79 Ca 0.16 -2.11 -0.22 0.00 -0.22 0.00 0.00 54.13 51.73 1crr s LEU 79 Cb -0.24 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 1crr s LEU 79 CO -0.03 -1.25 1.83 0.00 -1.32 0.00 0.00 176.35 175.57 1crr s VAL 81 N 8.55 2.64 -0.30 0.00 1.01 -0.10 -2.02 120.40 130.18 1crr s VAL 81 Ca 0.63 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 1crr s VAL 81 Cb -0.01 -2.63 0.18 0.00 0.00 0.00 0.00 36.38 33.92 1crr s VAL 81 CO 0.05 -0.23 0.80 0.72 0.00 0.00 0.00 175.10 176.44 1crr s PHE 82 N -2.47 -1.13 0.15 5.22 -0.71 -0.42 -4.21 117.98 114.40 1crr s PHE 82 Ca 0.68 1.21 -0.31 0.00 -1.04 0.00 0.00 56.93 57.47 1crr s PHE 82 Cb -0.23 0.40 -0.09 0.00 -1.21 0.00 0.00 43.02 41.90 1crr s PHE 82 CO 0.51 -0.62 1.46 0.00 -1.34 0.00 0.00 175.22 175.23 1crr s ALA 83 N 2.90 3.67 -0.42 1.99 0.00 -1.26 -2.00 121.76 126.64 1crr s ALA 83 Ca 0.11 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1crr s ALA 83 Cb -0.13 -3.57 0.32 0.00 0.00 0.00 0.00 23.12 19.74 1crr s ALA 83 CO -0.17 -0.68 1.96 0.44 0.00 0.00 0.00 175.76 177.31 1crr n ILE 84 N 3.78 2.98 0.00 0.00 -5.35 -1.07 -3.86 119.36 115.84 1crr n ILE 84 Ca 0.12 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.63 1crr n ILE 84 Cb 0.41 -1.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.13 1crr n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1crr n ASN 85 N -0.17 2.27 -0.00 7.28 6.94 -1.26 -2.86 115.26 127.45 1crr n ASN 85 Ca 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.90 1crr n ASN 85 Cb 0.71 0.03 -0.13 0.00 -2.36 0.00 0.00 39.78 38.03 1crr n ASN 85 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1crr h ASN 86 N 0.00 0.00 0.00 0.53 7.08 -1.97 -3.46 115.58 117.77 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 0.55 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.79 1crr h ASN 86 CO 0.00 0.94 0.00 0.41 -2.08 0.00 0.00 177.43 176.70 1crr n THR 87 N -3.07 0.00 0.34 6.14 -1.04 -1.25 -4.78 114.28 110.61 1crr n THR 87 Ca -0.13 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.10 1crr n THR 87 Cb 1.00 0.00 1.19 0.00 -1.82 0.00 0.00 70.33 70.71 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 0.00 0.00 -0.26 -2.82 3.64 -1.93 -0.73 116.57 114.47 1crr h LYS 88 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1crr h LYS 88 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1crr h LYS 88 CO 0.00 0.00 -0.59 0.77 -2.27 0.00 0.00 179.45 177.36 1crr h SER 89 N 0.00 0.97 -0.08 4.20 0.02 -1.86 -1.33 113.55 115.47 1crr h SER 89 Ca 0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1crr h SER 89 Cb 0.03 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1crr h SER 89 CO 0.00 1.34 0.05 0.15 -1.14 0.00 0.00 176.83 177.23 1crr h PHE 90 N 0.64 0.10 0.00 3.45 3.57 -1.38 -0.28 116.94 123.04 1crr h PHE 90 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1crr h PHE 90 Cb 1.20 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1crr h PHE 90 CO 0.08 0.09 -0.07 0.93 -2.23 0.00 0.00 178.31 177.10 1crr h GLU 91 N 0.09 0.00 0.00 1.11 5.08 -1.50 -1.49 114.58 117.87 1crr h GLU 91 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1crr h GLU 91 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1crr h GLU 91 CO -0.01 0.07 -0.56 -0.44 -1.00 0.00 0.00 179.01 177.07 1crr h ASP 92 N 0.00 0.00 0.66 1.42 5.19 0.09 -3.18 116.42 120.61 1crr h ASP 92 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1crr h ASP 92 Cb 0.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1crr h ASP 92 CO 0.01 0.56 -0.80 0.40 -3.12 0.00 0.00 179.24 176.29 1crr h ILE 93 N 0.00 1.52 0.00 0.35 1.08 -0.06 -2.07 117.51 118.32 1crr h ILE 93 Ca -0.01 -2.58 0.00 0.00 -0.39 0.00 0.00 64.86 61.89 1crr h ILE 93 Cb 1.33 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1crr h ILE 93 CO 0.07 0.74 0.00 1.57 -0.69 0.00 0.00 178.15 179.85 1crr n HIS 94 N -3.66 0.56 -0.03 1.37 -0.00 -1.11 -2.75 115.22 109.60 1crr n HIS 94 Ca -0.02 0.25 -0.04 0.00 0.46 0.00 0.00 57.72 58.37 1crr n HIS 94 Cb 0.76 -0.90 -0.04 0.00 -0.12 0.00 0.00 29.99 29.69 1crr n HIS 94 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1crr n GLN 95 N -2.04 1.77 0.20 1.57 6.02 -1.15 -4.54 117.38 119.21 1crr n GLN 95 Ca 0.01 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.16 1crr n GLN 95 Cb 0.13 -1.14 0.65 0.00 1.02 0.00 0.00 30.24 30.91 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 0.05 -1.36 -1.90 116.97 114.46 1crr h TYR 96 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1crr h TYR 96 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1crr h TYR 96 CO 0.00 0.00 0.00 2.89 -1.05 0.00 0.00 178.16 180.00 1crr n ARG 97 N -2.56 3.31 -0.03 4.88 1.85 -1.11 -3.68 116.66 119.31 1crr n ARG 97 Ca 0.00 -1.97 -0.04 0.00 -1.00 0.00 0.00 57.85 54.85 1crr n ARG 97 Cb 0.19 -1.91 -0.03 0.00 -1.05 0.00 0.00 32.46 29.66 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 0.46 0.14 0.18 2.89 1.02 -0.72 -4.33 120.64 120.29 1crr n GLU 98 Ca 0.17 0.03 0.04 0.00 -0.02 0.00 0.00 57.16 57.38 1crr n GLU 98 Cb 0.79 -1.11 0.35 0.00 -0.02 0.00 0.00 31.44 31.45 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1crr h GLN 99 N -0.00 0.00 -0.30 3.49 5.75 -1.69 -0.27 115.11 122.09 1crr h GLN 99 Ca -0.13 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.21 1crr h GLN 99 Cb 1.20 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1crr h GLN 99 CO -0.02 0.40 -0.46 0.82 -2.65 0.00 0.00 178.83 176.92 1crr h ILE 100 N 0.00 1.29 0.00 2.39 2.04 -1.80 -1.58 117.51 119.85 1crr h ILE 100 Ca -0.00 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 1crr h ILE 100 Cb 0.78 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1crr h ILE 100 CO 0.05 0.53 -0.21 0.11 0.00 0.00 0.00 178.15 178.64 1crr h LYS 101 N 0.63 0.00 0.52 2.37 1.57 -1.61 -2.67 116.57 117.38 1crr h LYS 101 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1crr h LYS 101 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1crr h LYS 101 CO 0.10 0.21 -0.25 -0.09 -0.57 0.00 0.00 179.45 178.85 1crr h ARG 102 N 0.00 -0.67 0.01 3.15 2.43 -0.13 0.39 114.38 119.56 1crr h ARG 102 Ca -0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1crr h ARG 102 Cb 0.60 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1crr h ARG 102 CO 0.03 -0.37 -0.01 0.28 -1.51 0.00 0.00 179.97 178.38 1crr h VAL 103 N -1.04 0.00 0.00 0.20 2.07 -1.29 -1.96 116.25 114.23 1crr h VAL 103 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1crr h VAL 103 Cb 0.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1crr h VAL 103 CO 0.12 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1crr h LYS 104 N -0.03 0.00 -5.77 1.57 1.79 -1.62 -3.46 116.57 109.05 1crr h LYS 104 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1crr h LYS 104 Cb 0.02 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 30.82 1crr h LYS 104 CO -0.00 0.00 -0.73 -3.47 -1.08 0.00 0.00 179.45 174.17 1crr n ASP 105 N -2.90 -4.05 -3.47 0.86 2.03 0.13 -4.98 116.55 104.17 1crr n ASP 105 Ca -0.02 -0.59 -0.10 0.00 0.52 0.00 0.00 54.79 54.60 1crr n ASP 105 Cb 0.11 -5.03 -0.02 0.00 -0.72 0.00 0.00 41.12 35.46 1crr n ASP 105 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1crr s SER 106 N -3.87 -0.47 -0.83 1.67 0.01 -0.80 -5.00 113.70 104.42 1crr s SER 106 Ca 0.28 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.53 1crr s SER 106 Cb -0.13 0.51 0.25 0.00 0.21 0.00 0.00 66.02 66.86 1crr s SER 106 CO 0.73 -0.83 0.91 -0.90 0.41 0.00 0.00 173.24 173.56 1crr n ASP 107 N -0.32 4.45 -2.69 2.44 5.75 -1.26 -4.40 116.55 120.51 1crr n ASP 107 Ca -0.13 -3.32 -0.06 0.00 -0.01 0.00 0.00 54.79 51.27 1crr n ASP 107 Cb 0.63 -0.93 0.10 0.00 -1.03 0.00 0.00 41.12 39.89 1crr n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1crr n ASP 108 N 1.50 -1.70 -4.97 -1.12 -0.08 -1.26 -5.15 116.55 103.77 1crr n ASP 108 Ca 0.26 -2.63 -0.21 0.00 -1.51 0.00 0.00 54.79 50.69 1crr n ASP 108 Cb 0.37 1.48 0.01 0.00 2.34 0.00 0.00 41.12 45.32 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1crr s VAL 109 N 0.14 3.98 -1.50 5.18 1.01 -1.26 -4.97 120.40 122.99 1crr s VAL 109 Ca 0.21 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1crr s VAL 109 Cb 0.29 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1crr s VAL 109 CO -0.13 -0.24 2.68 -0.81 0.00 0.00 0.00 175.10 176.60 1crr n PRO 110 N -1.89 4.00 -0.89 2.72 -0.05 -1.26 -4.96 135.00 132.67 1crr n PRO 110 Ca 0.01 -2.73 -0.30 0.00 -0.05 0.00 0.00 63.50 60.42 1crr n PRO 110 Cb 0.58 -2.76 0.15 0.00 -0.05 0.00 0.00 33.50 31.42 1crr n PRO 110 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 175.50 173.81 1crr s MET 111 N 0.92 1.11 -0.35 0.54 -1.94 -1.26 -2.91 119.30 115.40 1crr s MET 111 Ca 0.62 1.26 0.05 0.00 -1.71 0.00 0.00 55.69 55.91 1crr s MET 111 Cb 0.18 -1.76 0.17 0.00 2.01 0.00 0.00 34.83 35.43 1crr s MET 111 CO -0.07 -2.47 0.48 0.08 -0.01 0.00 0.00 175.02 173.03 1crr s VAL 112 N -2.73 -0.69 -0.57 -6.03 1.01 0.17 -4.25 120.40 107.31 1crr s VAL 112 Ca 0.65 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1crr s VAL 112 Cb -0.21 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.59 1crr s VAL 112 CO 0.58 -0.26 1.37 -0.22 0.00 0.00 0.00 175.10 176.57 1crr s LEU 113 N 2.03 3.41 -0.14 3.92 2.96 -0.96 -0.93 118.68 128.95 1crr s LEU 113 Ca 0.14 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1crr s LEU 113 Cb -0.11 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 1crr s LEU 113 CO -0.15 -1.67 -0.10 -0.69 -1.32 0.00 0.00 176.35 172.43 1crr s VAL 114 N 5.84 3.30 -0.23 1.68 1.01 -0.86 -2.51 120.40 128.63 1crr s VAL 114 Ca 0.50 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1crr s VAL 114 Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1crr s VAL 114 CO 0.25 0.51 0.44 -0.83 0.00 0.00 0.00 175.10 175.47 1crr s GLY 115 N 0.46 1.98 0.32 4.51 0.00 -0.92 -1.31 107.32 112.37 1crr s GLY 115 Ca -0.08 -0.58 0.08 0.00 0.00 0.00 0.00 44.72 44.14 1crr s GLY 115 CO 0.04 0.99 0.18 0.21 0.00 0.00 0.00 173.10 174.53 1crr s ASN 116 N 1.30 4.97 -0.52 1.64 3.04 -0.85 0.15 114.94 124.68 1crr s ASN 116 Ca 0.19 -0.60 -0.00 0.00 0.04 0.00 0.00 52.86 52.49 1crr s ASN 116 Cb -0.15 -0.91 0.00 0.00 -1.54 0.00 0.00 41.25 38.65 1crr s ASN 116 CO 0.09 -0.25 0.02 1.17 -3.04 0.00 0.00 177.10 175.09 1crr n LYS 117 N -1.20 -0.62 -0.04 0.43 4.81 -0.67 -2.61 118.16 118.27 1crr n LYS 117 Ca -0.04 0.29 0.09 0.00 -0.87 0.00 0.00 58.31 57.78 1crr n LYS 117 Cb 0.60 -4.09 0.42 0.00 0.02 0.00 0.00 35.03 31.98 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1crr n ASP 119 N -0.32 3.28 0.00 0.00 5.75 -1.26 -4.95 116.55 119.05 1crr n ASP 119 Ca 0.13 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 1crr n ASP 119 Cb 0.16 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1crr n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1crr n LEU 120 N 0.47 0.00 -2.72 -2.12 -0.00 -1.24 -5.11 117.00 106.28 1crr n LEU 120 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.13 1crr n LEU 120 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1crr n LEU 120 CO 0.16 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 177.00 1crr n ALA 121 N 0.00 -3.32 -0.02 1.47 0.00 -1.26 -4.73 120.51 112.66 1crr n ALA 121 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 53.44 54.84 1crr n ALA 121 Cb 0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 19.45 16.62 1crr n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1crr n ALA 122 N 1.40 -0.63 -1.54 0.00 0.00 -1.26 -4.45 120.51 114.02 1crr n ALA 122 Ca -0.21 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1crr n ALA 122 Cb 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 1crr n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1crr n ARG 123 N 0.02 0.47 0.09 0.00 1.74 -1.26 -4.71 116.66 113.01 1crr n ARG 123 Ca 0.00 -0.45 -0.05 0.00 -0.77 0.00 0.00 57.85 56.58 1crr n ARG 123 Cb 0.00 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 28.58 1crr n ARG 123 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1crr h THR 124 N 7.56 1.59 -3.51 0.55 1.35 -1.74 -3.39 112.91 115.33 1crr h THR 124 Ca -0.04 -2.85 -0.69 0.00 -0.55 0.00 0.00 66.41 62.29 1crr h THR 124 Cb 1.10 2.54 -0.35 0.00 -1.73 0.00 0.00 68.15 69.71 1crr h THR 124 CO 1.20 0.81 -0.47 -0.69 -0.25 0.00 0.00 175.52 176.13 1crr s VAL 125 N -3.10 3.44 1.12 6.82 1.01 -1.25 -5.05 120.40 123.39 1crr s VAL 125 Ca -0.00 -2.53 -0.12 0.00 0.00 0.00 0.00 61.98 59.32 1crr s VAL 125 Cb 0.11 -3.31 0.26 0.00 0.00 0.00 0.00 36.38 33.44 1crr s VAL 125 CO 0.80 -0.78 1.05 -1.83 0.00 0.00 0.00 175.10 174.33 1crr s GLU 126 N 0.52 -0.57 0.00 2.72 -1.05 -1.26 -4.90 118.70 114.16 1crr s GLU 126 Ca 0.13 0.92 0.29 0.00 -0.15 0.00 0.00 54.97 56.15 1crr s GLU 126 Cb -0.22 -1.59 1.27 0.00 -0.44 0.00 0.00 34.13 33.16 1crr s GLU 126 CO -0.04 -3.52 1.91 0.43 0.95 0.00 0.00 175.26 175.00 1crr n SER 127 N -4.78 0.17 0.02 0.83 7.64 -1.26 -3.42 113.62 112.82 1crr n SER 127 Ca 0.04 -0.08 -0.02 0.00 1.01 0.00 0.00 58.87 59.82 1crr n SER 127 Cb 0.54 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1crr n SER 127 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1crr h ARG 128 N 0.15 -0.10 -0.64 1.43 2.43 -1.98 -1.25 114.38 114.41 1crr h ARG 128 Ca 0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1crr h ARG 128 Cb 0.39 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1crr h ARG 128 CO 0.00 -0.07 0.42 -0.56 -1.51 0.00 0.00 179.97 178.25 1crr h GLN 129 N -0.51 0.63 -0.23 0.20 3.07 -1.97 0.81 115.11 117.12 1crr h GLN 129 Ca -0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 58.65 58.57 1crr h GLN 129 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 1crr h GLN 129 CO 0.02 0.42 -0.35 0.00 0.09 0.00 0.00 178.83 179.01 1crr h ALA 130 N 1.65 0.96 -0.42 0.06 0.00 -1.67 -2.00 119.26 117.84 1crr h ALA 130 Ca 0.27 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1crr h ALA 130 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1crr h ALA 130 CO -0.08 0.61 0.06 1.96 0.00 0.00 0.00 179.25 181.80 1crr h GLN 131 N 0.43 0.64 0.00 0.00 1.08 0.40 -1.85 115.11 115.81 1crr h GLN 131 Ca 0.05 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1crr h GLN 131 Cb 0.81 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1crr h GLN 131 CO 0.07 0.62 0.00 -0.44 -0.95 0.00 0.00 178.83 178.13 1crr h ASP 132 N 0.62 0.00 0.06 1.46 5.19 -0.98 -2.06 116.42 120.71 1crr h ASP 132 Ca 0.14 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1crr h ASP 132 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1crr h ASP 132 CO 0.00 0.00 -0.03 0.25 -3.12 0.00 0.00 179.24 176.35 1crr h LEU 133 N 0.00 -0.07 -0.23 1.55 7.12 -0.61 -3.17 115.31 119.90 1crr h LEU 133 Ca 0.00 -0.58 -0.22 0.00 0.13 0.00 0.00 57.88 57.21 1crr h LEU 133 Cb 0.92 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 1crr h LEU 133 CO 0.00 0.63 -0.87 0.00 -0.13 0.00 0.00 178.44 178.07 1crr h ALA 134 N -0.09 0.41 -0.36 1.25 0.00 -1.57 -3.17 119.26 115.73 1crr h ALA 134 Ca -0.01 -0.67 0.10 0.00 0.00 0.00 0.00 54.91 54.33 1crr h ALA 134 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1crr h ALA 134 CO 0.01 0.78 0.26 -0.09 0.00 0.00 0.00 179.25 180.21 1crr h ARG 135 N 0.28 0.03 -0.19 0.00 2.43 -1.49 0.32 114.38 115.75 1crr h ARG 135 Ca -0.07 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1crr h ARG 135 Cb 1.49 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 1crr h ARG 135 CO 0.15 0.02 -0.54 1.03 -1.51 0.00 0.00 179.97 179.12 1crr h SER 136 N 0.03 0.64 0.33 -3.80 0.87 -1.51 -3.00 113.55 107.11 1crr h SER 136 Ca 0.17 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1crr h SER 136 Cb 0.64 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1crr h SER 136 CO -0.01 1.06 -0.27 -1.22 -0.53 0.00 0.00 176.83 175.86 1crr n TYR 137 N -3.96 0.00 -2.52 2.24 4.01 -0.17 -4.93 117.16 111.82 1crr n TYR 137 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1crr n TYR 137 Cb 0.60 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1crr n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1crr n GLY 138 N 1.37 0.10 3.53 2.72 0.00 -0.08 -5.03 105.19 107.80 1crr n GLY 138 Ca 0.11 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.75 3.17 0.56 -0.61 -4.36 -0.97 -4.98 121.20 111.25 1crr s ILE 139 Ca 0.11 -1.13 -0.20 0.00 -0.26 0.00 0.00 60.65 59.17 1crr s ILE 139 Cb -0.05 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 1crr s ILE 139 CO 0.14 0.27 1.21 -2.16 0.24 0.00 0.00 174.94 174.64 1crr s PRO 140 N -1.70 3.16 0.03 0.37 0.04 -1.26 -4.41 135.00 131.23 1crr s PRO 140 Ca 0.17 1.83 0.09 0.00 0.04 0.00 0.00 61.00 63.13 1crr s PRO 140 Cb -0.11 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1crr s PRO 140 CO 0.09 -1.06 -0.25 -0.47 0.04 0.00 0.00 177.00 175.35 1crr s TYR 141 N -1.58 2.23 0.35 0.56 5.04 -1.26 -2.28 117.35 120.41 1crr s TYR 141 Ca 0.74 -0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 54.89 1crr s TYR 141 Cb -0.30 -1.37 0.02 0.00 0.35 0.00 0.00 41.96 40.66 1crr s TYR 141 CO 0.34 0.07 0.56 0.42 -1.34 0.00 0.00 175.55 175.60 1crr s ILE 142 N -0.74 0.00 0.30 3.14 1.01 -1.04 -5.02 121.20 118.85 1crr s ILE 142 Ca 0.11 -1.42 0.09 0.00 0.00 0.00 0.00 60.65 59.42 1crr s ILE 142 Cb -0.10 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.66 1crr s ILE 142 CO 0.01 0.00 -0.10 -0.70 0.00 0.00 0.00 174.94 174.15 1crr s GLU 143 N -2.95 1.67 -0.05 2.79 2.12 -1.26 -2.16 118.70 118.85 1crr s GLU 143 Ca 0.26 -1.84 -0.29 0.00 0.36 0.00 0.00 54.97 53.46 1crr s GLU 143 Cb -0.02 -1.46 0.10 0.00 0.26 0.00 0.00 34.13 33.01 1crr s GLU 143 CO 0.17 0.13 0.86 0.95 -0.54 0.00 0.00 175.26 176.83 1crr s THR 144 N -2.78 0.00 -0.31 -1.70 -4.23 0.12 -4.46 115.64 102.28 1crr s THR 144 Ca 0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1crr s THR 144 Cb 0.02 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 73.05 1crr s THR 144 CO 0.14 0.00 0.79 -0.44 -0.54 0.00 0.00 174.62 174.57 1crr s SER 145 N -1.86 -1.10 0.55 3.99 0.01 -0.62 -1.66 113.70 113.00 1crr s SER 145 Ca -0.00 -0.03 0.37 0.00 1.31 0.00 0.00 55.95 57.60 1crr s SER 145 Cb -0.01 1.62 2.00 0.00 0.21 0.00 0.00 66.02 69.85 1crr s SER 145 CO -0.03 -0.18 2.13 0.00 0.41 0.00 0.00 173.24 175.57 1crr h ALA 146 N 7.36 1.00 -0.01 1.44 0.00 -1.92 -1.99 119.26 125.15 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 0.04 0.00 0.10 -0.22 0.00 0.00 0.00 179.25 179.17 1crr h LYS 147 N 0.00 0.00 0.00 0.00 3.11 -1.96 -2.95 116.57 114.77 1crr h LYS 147 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1crr h LYS 147 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1crr h LYS 147 CO 0.00 0.00 -0.15 -2.37 -2.81 0.00 0.00 179.45 174.12 1crr n THR 148 N -3.06 0.00 -3.03 1.00 5.66 -0.83 -5.00 114.28 109.02 1crr n THR 148 Ca -0.03 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.75 1crr n THR 148 Cb 0.16 0.64 0.02 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.00 -4.15 -3.46 1.09 1.74 -0.81 -4.94 116.66 106.13 1crr n ARG 149 Ca 0.00 0.79 -0.40 0.00 -0.77 0.00 0.00 57.85 57.47 1crr n ARG 149 Cb 0.56 -5.59 -0.10 0.00 -1.02 0.00 0.00 32.46 26.31 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1crr s GLN 150 N -5.69 3.63 0.00 5.56 0.74 -1.06 -4.25 119.66 118.58 1crr s GLN 150 Ca 0.29 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1crr s GLN 150 Cb -0.14 -3.78 0.00 0.00 1.10 0.00 0.00 33.01 30.20 1crr s GLN 150 CO 0.35 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 1crr n GLY 151 N 4.99 3.06 0.44 2.59 0.00 -1.26 -1.59 105.19 113.41 1crr n GLY 151 Ca -0.11 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.16 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 0.57 0.00 1.61 2.07 -1.78 -1.36 116.25 117.35 1crr h VAL 152 Ca 0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1crr h VAL 152 Cb 0.00 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1crr h VAL 152 CO 0.00 0.04 -0.00 -0.33 0.02 0.00 0.00 177.57 177.30 1crr h GLU 153 N 0.22 -0.00 0.00 1.57 5.08 -1.90 -2.93 114.58 116.62 1crr h GLU 153 Ca 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1crr h GLU 153 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 1crr h GLU 153 CO -0.13 0.53 -0.05 0.22 -1.00 0.00 0.00 179.01 178.59 1crr h ASP 154 N -0.54 0.00 0.05 1.42 1.82 -1.65 -2.09 116.42 115.42 1crr h ASP 154 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1crr h ASP 154 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1crr h ASP 154 CO 0.00 0.05 -0.02 0.00 -1.61 0.00 0.00 179.24 177.66 1crr h ALA 155 N 1.95 -0.29 -0.13 -0.78 0.00 -1.32 -2.75 119.26 115.94 1crr h ALA 155 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1crr h ALA 155 Cb 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1crr h ALA 155 CO 0.01 -0.28 -0.14 0.74 0.00 0.00 0.00 179.25 179.58 1crr h PHE 156 N -0.19 -0.34 0.29 0.00 -1.00 -1.55 -1.63 116.94 112.53 1crr h PHE 156 Ca -0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1crr h PHE 156 Cb 0.05 0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1crr h PHE 156 CO 0.05 -0.20 -0.33 1.88 -1.61 0.00 0.00 178.31 178.10 1crr h TYR 157 N -0.16 -0.90 -0.12 -0.55 -1.99 -1.55 -1.34 116.97 110.35 1crr h TYR 157 Ca 0.09 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.87 1crr h TYR 157 Cb 0.30 0.36 -0.00 0.00 2.00 0.00 0.00 36.73 39.38 1crr h TYR 157 CO -0.25 -0.47 0.15 1.15 -0.00 0.00 0.00 178.16 178.74 1crr h THR 158 N -0.67 0.44 0.19 -2.88 2.02 -1.35 -1.72 112.91 108.94 1crr h THR 158 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1crr h THR 158 Cb 0.62 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1crr h THR 158 CO -0.09 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 175.96 1crr h LEU 159 N 0.00 -0.22 -1.75 2.58 6.46 -0.24 -2.51 115.31 119.62 1crr h LEU 159 Ca 0.06 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1crr h LEU 159 Cb 0.36 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1crr h LEU 159 CO -0.00 0.17 -0.02 0.58 -0.62 0.00 0.00 178.44 178.55 1crr h VAL 160 N -0.64 0.05 0.00 1.05 2.07 -1.04 -2.49 116.25 115.25 1crr h VAL 160 Ca -0.03 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 1crr h VAL 160 Cb 0.46 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1crr h VAL 160 CO 0.04 0.02 -0.74 -0.09 0.02 0.00 0.00 177.57 176.82 1crr h ARG 161 N 0.00 0.00 0.20 1.57 2.43 -1.15 -2.19 114.38 115.24 1crr h ARG 161 Ca -0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 1crr h ARG 161 Cb 0.42 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1crr h ARG 161 CO 0.00 0.74 -1.46 0.93 -1.51 0.00 0.00 179.97 178.67 1crr h GLU 162 N 0.00 0.43 -0.18 0.20 4.39 -1.01 -3.04 114.58 115.38 1crr h GLU 162 Ca -0.01 -0.73 -0.15 0.00 0.34 0.00 0.00 59.36 58.81 1crr h GLU 162 Cb 1.35 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1crr h GLU 162 CO 0.10 1.34 -0.53 0.82 -1.16 0.00 0.00 179.01 179.58 1crr h ILE 163 N 0.12 1.32 0.38 3.13 2.04 -1.53 -2.62 117.51 120.34 1crr h ILE 163 Ca -0.24 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 63.83 1crr h ILE 163 Cb 2.10 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1crr h ILE 163 CO 0.24 0.55 -0.18 0.03 0.00 0.00 0.00 178.15 178.78 1crr h ARG 164 N 0.40 -0.49 -1.04 2.37 3.08 -1.49 -3.10 114.38 114.11 1crr h ARG 164 Ca 0.01 0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.38 1crr h ARG 164 Cb 1.06 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.16 1crr h ARG 164 CO 0.10 -0.32 0.72 0.37 -1.07 0.00 0.00 179.97 179.76 1crr h GLN 165 N -0.67 0.13 0.00 0.04 -0.00 -1.63 -3.51 115.11 109.47 1crr h GLN 165 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1crr h GLN 165 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.84 1crr h GLN 165 CO 0.08 0.09 0.00 1.58 0.00 0.00 0.00 178.83 180.58