#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 2.24 -0.07 2.03 2.01 -1.25 -4.59 115.64 116.01 1crr s THR 2 Ca 0.00 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1crr s THR 2 Cb 0.00 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1crr s THR 2 CO 0.00 -0.10 -0.04 -1.61 -0.69 0.00 0.00 174.62 172.18 1crr s GLU 3 N -4.66 0.89 0.42 4.92 2.02 -1.26 -1.03 118.70 120.00 1crr s GLU 3 Ca 0.66 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1crr s GLU 3 Cb -0.22 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 32.99 1crr s GLU 3 CO 0.60 -0.19 0.03 0.66 0.02 0.00 0.00 175.26 176.38 1crr n TYR 4 N 4.59 0.79 -4.41 1.61 4.01 -1.08 -5.01 117.16 117.65 1crr n TYR 4 Ca -0.16 -2.03 -0.20 0.00 -0.16 0.00 0.00 57.90 55.35 1crr n TYR 4 Cb 0.50 -0.28 -0.14 0.00 -0.31 0.00 0.00 39.34 39.11 1crr n TYR 4 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1crr s LYS 5 N -3.53 0.95 -0.76 -0.72 1.02 -1.26 -2.20 119.74 113.25 1crr s LYS 5 Ca 0.03 -0.66 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 1crr s LYS 5 Cb -0.00 -0.95 0.19 0.00 -0.52 0.00 0.00 37.83 36.55 1crr s LYS 5 CO 0.02 0.24 0.59 -0.51 -0.92 0.00 0.00 175.35 174.77 1crr s LEU 6 N -0.88 5.22 -0.52 3.17 1.43 -1.13 -1.99 118.68 123.98 1crr s LEU 6 Ca 0.02 -3.49 -0.26 0.00 -1.03 0.00 0.00 54.13 49.37 1crr s LEU 6 Cb -0.07 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1crr s LEU 6 CO 0.01 -0.21 2.36 -0.69 0.23 0.00 0.00 176.35 178.05 1crr s VAL 7 N -0.99 3.04 0.19 -1.59 1.01 0.32 -2.81 120.40 119.58 1crr s VAL 7 Ca 0.23 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1crr s VAL 7 Cb -0.11 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 1crr s VAL 7 CO -0.10 -0.09 0.56 -0.69 0.00 0.00 0.00 175.10 174.77 1crr s VAL 8 N 12.08 4.89 0.28 2.92 1.01 -1.09 -1.39 120.40 139.09 1crr s VAL 8 Ca 0.95 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.51 1crr s VAL 8 Cb -0.16 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1crr s VAL 8 CO 0.25 0.07 0.50 1.33 0.00 0.00 0.00 175.10 177.25 1crr n VAL 9 N 0.30 0.00 0.00 2.92 0.24 -1.12 -4.83 118.33 115.84 1crr n VAL 9 Ca -0.02 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 1crr n VAL 9 Cb 0.52 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1crr n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1crr n GLY 10 N -0.40 0.70 0.85 7.63 0.00 -1.26 -1.61 105.19 111.10 1crr n GLY 10 Ca -0.04 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.00 -0.82 -3.63 4.61 0.00 -1.26 -4.98 120.51 113.43 1crr n ALA 11 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 1crr n ALA 11 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.99 2.40 0.00 0.00 0.00 -1.26 -4.41 107.32 101.07 1crr s GLY 12 Ca 0.17 -3.08 0.00 0.00 0.00 0.00 0.00 44.72 41.82 1crr s GLY 12 CO 0.13 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1crr n GLY 13 N 3.92 0.57 0.25 0.20 0.00 -1.26 -5.00 105.19 103.86 1crr n GLY 13 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.85 0.00 1.61 -1.51 -1.97 -3.45 116.25 111.77 1crr h VAL 14 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1crr h VAL 14 Cb 0.00 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1crr h VAL 14 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1crr n GLY 15 N -0.89 1.90 0.14 5.19 0.00 -1.26 -4.62 105.19 105.64 1crr n GLY 15 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.43 1.61 1.57 -1.94 -2.65 116.57 115.37 1crr h LYS 16 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1crr h LYS 16 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1crr h LYS 16 CO 0.00 0.19 -0.21 0.77 -0.57 0.00 0.00 179.45 179.63 1crr h SER 17 N -0.74 -0.49 -0.94 0.86 0.02 -1.95 -2.19 113.55 108.12 1crr h SER 17 Ca -0.02 -0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.16 1crr h SER 17 Cb 0.51 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 1crr h SER 17 CO 0.04 -0.31 0.64 0.00 -1.14 0.00 0.00 176.83 176.06 1crr h ALA 18 N -0.07 2.56 -0.29 3.77 0.00 -1.87 0.22 119.26 123.59 1crr h ALA 18 Ca -0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1crr h ALA 18 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1crr h ALA 18 CO 0.10 -0.86 -0.16 -0.07 0.00 0.00 0.00 179.25 178.26 1crr h LEU 19 N 0.19 0.65 0.43 0.00 3.38 -1.04 -1.54 115.31 117.37 1crr h LEU 19 Ca 0.47 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1crr h LEU 19 Cb 1.53 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1crr h LEU 19 CO -0.10 0.92 -0.21 0.74 0.09 0.00 0.00 178.44 179.88 1crr h THR 20 N 0.37 0.00 -0.87 0.22 2.02 -0.01 -2.79 112.91 111.86 1crr h THR 20 Ca 0.06 -0.06 0.25 0.00 0.77 0.00 0.00 66.41 67.43 1crr h THR 20 Cb 0.69 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1crr h THR 20 CO 0.05 0.00 0.67 0.40 0.37 0.00 0.00 175.52 177.00 1crr h ILE 21 N -0.64 0.48 0.81 3.11 5.03 -1.39 -1.44 117.51 123.47 1crr h ILE 21 Ca -0.06 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.64 1crr h ILE 21 Cb 0.44 0.53 0.01 0.00 -3.03 0.00 0.00 36.82 34.76 1crr h ILE 21 CO 0.10 0.00 -0.41 -0.61 -0.68 0.00 0.00 178.15 176.55 1crr h GLN 22 N 0.00 -1.07 0.00 2.37 5.75 -1.01 0.29 115.11 121.44 1crr h GLN 22 Ca 0.41 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 1crr h GLN 22 Cb 1.74 0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.53 1crr h GLN 22 CO -0.00 -0.71 0.00 1.25 -2.65 0.00 0.00 178.83 176.71 1crr h LEU 23 N -1.11 0.00 0.00 -2.39 6.46 -1.07 -0.32 115.31 116.88 1crr h LEU 23 Ca -0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1crr h LEU 23 Cb 0.86 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 1crr h LEU 23 CO 0.17 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.61 1crr n ILE 24 N -2.73 0.00 0.33 4.05 5.41 -0.70 -4.58 119.36 121.14 1crr n ILE 24 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 62.75 63.94 1crr n ILE 24 Cb 0.11 -0.73 1.07 0.00 -0.71 0.00 0.00 39.64 39.39 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 -4.03 0.38 1.08 -0.61 -3.46 115.11 108.47 1crr h GLN 25 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1crr h GLN 25 Cb 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.52 1crr h GLN 25 CO 0.00 0.00 -0.41 -1.71 -0.95 0.00 0.00 178.83 175.76 1crr n ASN 26 N -3.06 -3.26 -3.54 1.46 2.85 -0.13 -5.03 115.26 104.55 1crr n ASN 26 Ca -0.02 -0.33 -0.10 0.00 -0.11 0.00 0.00 54.58 54.02 1crr n ASN 26 Cb 0.18 -2.82 -0.02 0.00 1.24 0.00 0.00 39.78 38.36 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1crr s HIS 27 N -3.19 -0.41 -0.36 1.20 -3.43 -1.24 -5.05 115.29 102.81 1crr s HIS 27 Ca 0.12 0.16 -0.13 0.00 -0.80 0.00 0.00 55.06 54.41 1crr s HIS 27 Cb -0.02 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1crr s HIS 27 CO 0.37 -0.86 0.24 0.12 -2.00 0.00 0.00 174.74 172.61 1crr s PHE 28 N -3.62 3.23 -0.06 0.38 5.36 -1.26 -4.10 117.98 117.91 1crr s PHE 28 Ca 0.04 -0.53 -0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1crr s PHE 28 Cb -0.02 -2.49 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1crr s PHE 28 CO -0.07 -0.50 0.10 0.14 -1.46 0.00 0.00 175.22 173.43 1crr s VAL 29 N 1.66 5.01 -0.27 3.12 -7.23 -1.26 -4.99 120.40 116.44 1crr s VAL 29 Ca 0.05 -0.15 0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1crr s VAL 29 Cb -0.18 -3.23 0.13 0.00 0.56 0.00 0.00 36.38 33.66 1crr s VAL 29 CO 0.09 0.48 1.10 -0.90 -0.31 0.00 0.00 175.10 175.56 1crr n ASP 30 N 1.57 2.37 0.00 4.85 5.75 -1.26 -4.79 116.55 125.04 1crr n ASP 30 Ca -0.16 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 1crr n ASP 30 Cb 0.54 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1crr n GLU 31 N -0.31 0.00 -1.34 0.11 0.28 -1.26 -5.04 120.64 113.08 1crr n GLU 31 Ca 0.06 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.76 1crr n GLU 31 Cb 0.36 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.27 1crr n GLU 31 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1crr n TYR 32 N 0.00 2.41 -2.60 -1.84 4.11 -1.26 -4.87 117.16 113.10 1crr n TYR 32 Ca 0.00 -2.41 -0.03 0.00 -0.00 0.00 0.00 57.90 55.46 1crr n TYR 32 Cb 0.00 -1.25 0.00 0.00 -0.00 0.00 0.00 39.34 38.09 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 1crr n ASP 33 N -0.16 -7.19 -4.57 9.48 9.92 -1.26 -4.76 116.55 118.00 1crr n ASP 33 Ca 0.49 0.90 -0.25 0.00 -0.53 0.00 0.00 54.79 55.40 1crr n ASP 33 Cb 0.54 -4.78 -0.07 0.00 -0.64 0.00 0.00 41.12 36.18 1crr n ASP 33 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1crr s PRO 34 N -1.84 2.28 -0.07 -0.24 0.04 -1.26 -4.06 135.00 129.85 1crr s PRO 34 Ca 0.10 -0.79 0.02 0.00 0.04 0.00 0.00 61.00 60.37 1crr s PRO 34 Cb -0.03 -5.14 0.08 0.00 0.04 0.00 0.00 34.50 29.45 1crr s PRO 34 CO 0.67 -4.08 0.63 0.25 0.04 0.00 0.00 177.00 174.51 1crr n THR 35 N 8.04 0.00 -4.60 1.26 -2.24 -1.26 -4.89 114.28 110.59 1crr n THR 35 Ca 0.43 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.79 1crr n THR 35 Cb 0.46 0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.02 1.11 -0.21 2.28 1.01 -1.26 -4.91 121.20 119.25 1crr s ILE 36 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1crr s ILE 36 Cb 0.09 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1crr s ILE 36 CO -0.02 0.34 -0.07 -1.61 0.00 0.00 0.00 174.94 173.58 1crr s GLU 37 N 0.32 1.69 0.24 2.79 2.02 -1.26 -4.50 118.70 120.00 1crr s GLU 37 Ca -0.08 -0.84 -0.22 0.00 0.02 0.00 0.00 54.97 53.86 1crr s GLU 37 Cb -0.12 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.73 1crr s GLU 37 CO 0.02 -0.51 0.79 -0.51 0.02 0.00 0.00 175.26 175.07 1crr s ASP 38 N 1.45 -0.24 -0.34 -0.19 1.01 -1.26 -5.06 116.67 112.05 1crr s ASP 38 Ca -0.03 -0.54 -0.16 0.00 0.71 0.00 0.00 52.55 52.53 1crr s ASP 38 Cb -0.17 0.66 -0.01 0.00 1.01 0.00 0.00 42.92 44.40 1crr s ASP 38 CO -0.07 -1.21 0.40 -0.94 0.21 0.00 0.00 175.17 173.56 1crr s SER 39 N -2.92 6.22 -0.32 0.27 1.04 -1.26 -4.57 113.70 112.15 1crr s SER 39 Ca 0.11 -0.15 -0.25 0.00 0.48 0.00 0.00 55.95 56.14 1crr s SER 39 Cb -0.05 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.86 1crr s SER 39 CO 0.05 -0.37 0.86 -0.31 0.98 0.00 0.00 173.24 174.46 1crr s TYR 40 N 2.12 3.17 0.33 5.02 1.51 -0.71 -4.91 117.35 123.88 1crr s TYR 40 Ca 0.14 0.85 0.07 0.00 -1.01 0.00 0.00 57.07 57.12 1crr s TYR 40 Cb -0.16 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.28 1crr s TYR 40 CO 0.12 -0.66 0.35 1.03 -1.11 0.00 0.00 175.55 175.28 1crr s ARG 41 N 3.18 2.88 -0.25 -0.62 0.52 -1.26 -1.39 118.95 122.00 1crr s ARG 41 Ca 0.36 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 54.13 1crr s ARG 41 Cb -0.13 -2.60 0.08 0.00 0.52 0.00 0.00 34.95 32.82 1crr s ARG 41 CO 0.14 0.11 0.80 0.21 0.02 0.00 0.00 175.30 176.59 1crr s LYS 42 N -4.04 0.76 -0.39 3.54 2.47 -1.15 -4.98 119.74 115.96 1crr s LYS 42 Ca 0.42 0.81 -0.10 0.00 -1.56 0.00 0.00 55.97 55.54 1crr s LYS 42 Cb -0.07 0.37 0.05 0.00 -1.46 0.00 0.00 37.83 36.72 1crr s LYS 42 CO 0.28 -0.11 0.21 -1.14 0.16 0.00 0.00 175.35 174.75 1crr s GLN 43 N 0.18 2.72 0.34 4.03 0.74 -1.26 -2.55 119.66 123.86 1crr s GLN 43 Ca -0.00 -1.23 0.04 0.00 0.05 0.00 0.00 55.36 54.22 1crr s GLN 43 Cb -0.04 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1crr s GLN 43 CO -0.00 -0.79 0.17 0.14 -0.55 0.00 0.00 175.29 174.26 1crr s VAL 44 N 1.49 0.39 0.03 1.34 -7.23 -1.26 -5.05 120.40 110.11 1crr s VAL 44 Ca 0.02 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 1crr s VAL 44 Cb -0.21 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1crr s VAL 44 CO 0.05 0.00 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.91 1crr s VAL 45 N -3.43 1.94 -0.16 1.32 1.01 -1.26 -2.59 120.40 117.22 1crr s VAL 45 Ca 0.32 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1crr s VAL 45 Cb 0.04 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.81 1crr s VAL 45 CO 0.18 0.36 -0.05 -0.63 0.00 0.00 0.00 175.10 174.97 1crr s ILE 46 N -0.74 1.05 -1.50 2.22 1.01 -0.95 -4.77 121.20 117.52 1crr s ILE 46 Ca 0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 1crr s ILE 46 Cb -0.09 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1crr s ILE 46 CO 0.01 0.14 0.67 0.47 0.00 0.00 0.00 174.94 176.23 1crr n ASP 47 N 4.90 -5.79 -0.91 3.58 8.00 -1.26 -1.19 116.55 123.88 1crr n ASP 47 Ca -0.12 -0.35 -0.08 0.00 0.71 0.00 0.00 54.79 54.96 1crr n ASP 47 Cb 0.48 -4.67 -0.00 0.00 -0.02 0.00 0.00 41.12 36.91 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 -1.54 0.07 2.64 0.44 0.00 -1.26 -5.00 105.19 100.54 1crr n GLY 48 Ca -0.08 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1crr n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1crr s GLU 49 N -4.44 0.77 0.38 1.61 -6.30 -0.33 -5.11 118.70 105.27 1crr s GLU 49 Ca 0.01 -1.33 -0.28 0.00 -2.50 0.00 0.00 54.97 50.87 1crr s GLU 49 Cb -0.01 -1.82 -0.11 0.00 0.00 0.00 0.00 34.13 32.19 1crr s GLU 49 CO 0.01 -1.09 1.48 2.41 0.02 0.00 0.00 175.26 178.09 1crr n THR 50 N 4.34 2.03 -3.39 -1.70 -1.04 -1.26 -2.24 114.28 111.01 1crr n THR 50 Ca 0.04 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.56 1crr n THR 50 Cb 0.39 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.91 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 2.84 3.53 -0.07 0.00 2.96 -0.20 -4.28 118.68 123.46 1crr s LEU 52 Ca 0.05 2.39 0.02 0.00 -0.22 0.00 0.00 54.13 56.37 1crr s LEU 52 Cb -0.12 -4.60 0.01 0.00 0.50 0.00 0.00 46.19 41.99 1crr s LEU 52 CO -0.19 -1.86 -0.12 -0.76 -1.32 0.00 0.00 176.35 172.10 1crr s LEU 53 N -4.49 1.61 -1.10 -0.68 1.43 -1.06 -2.64 118.68 111.75 1crr s LEU 53 Ca 0.77 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1crr s LEU 53 Cb -0.30 -0.81 0.28 0.00 0.03 0.00 0.00 46.19 45.38 1crr s LEU 53 CO 0.38 0.02 1.11 -0.67 0.23 0.00 0.00 176.35 177.42 1crr n ASP 54 N 3.88 5.46 -4.68 2.29 -0.08 -0.93 -2.92 116.55 119.56 1crr n ASP 54 Ca -0.23 -3.06 -0.42 0.00 -1.51 0.00 0.00 54.79 49.58 1crr n ASP 54 Cb 0.52 -1.35 -0.03 0.00 2.34 0.00 0.00 41.12 42.59 1crr n ASP 54 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1crr s ILE 55 N -1.35 3.40 -0.56 5.18 1.09 -0.49 -2.85 121.20 125.62 1crr s ILE 55 Ca 0.31 0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1crr s ILE 55 Cb -0.09 -3.47 0.15 0.00 -1.06 0.00 0.00 42.46 37.98 1crr s ILE 55 CO -0.08 -0.02 0.36 -0.22 -0.10 0.00 0.00 174.94 174.88 1crr s LEU 56 N 2.96 5.12 0.07 2.97 2.96 -1.12 -1.74 118.68 129.90 1crr s LEU 56 Ca 0.71 -2.69 0.25 0.00 -0.22 0.00 0.00 54.13 52.17 1crr s LEU 56 Cb -0.35 -1.82 0.52 0.00 0.50 0.00 0.00 46.19 45.04 1crr s LEU 56 CO 0.30 -0.39 1.44 -0.67 -1.32 0.00 0.00 176.35 175.71 1crr n ASP 57 N 3.68 0.57 -0.74 3.68 -0.08 -1.26 -2.67 116.55 119.73 1crr n ASP 57 Ca 0.05 0.07 0.06 0.00 -1.51 0.00 0.00 54.79 53.47 1crr n ASP 57 Cb 0.38 0.06 -0.02 0.00 2.34 0.00 0.00 41.12 43.89 1crr n ASP 57 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1crr n THR 58 N -1.86 0.00 -3.08 5.18 -2.24 -1.26 -4.92 114.28 106.09 1crr n THR 58 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1crr n THR 58 Cb 0.40 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.82 0.00 -1.71 6.98 0.00 -1.26 -4.88 120.51 118.81 1crr n ALA 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1crr n ALA 59 Cb 0.21 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 5.65 3.78 0.00 0.00 -1.26 -5.03 105.19 108.33 1crr n GLY 60 Ca 0.00 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.43 4.45 -0.01 1.61 0.74 -1.26 -4.99 119.66 116.77 1crr s GLN 61 Ca 0.47 1.02 -0.30 0.00 0.05 0.00 0.00 55.36 56.60 1crr s GLN 61 Cb 0.41 -3.27 -0.07 0.00 1.10 0.00 0.00 33.01 31.18 1crr s GLN 61 CO -0.01 0.56 1.74 -1.83 -0.55 0.00 0.00 175.29 175.20 1crr s GLU 62 N -1.01 4.17 0.00 1.67 -1.05 -1.26 -4.72 118.70 116.51 1crr s GLU 62 Ca 0.34 2.32 0.00 0.00 -0.15 0.00 0.00 54.97 57.48 1crr s GLU 62 Cb -0.22 -3.97 0.00 0.00 -0.44 0.00 0.00 34.13 29.51 1crr s GLU 62 CO 0.24 -0.86 0.00 0.39 0.95 0.00 0.00 175.26 175.98 1crr n GLU 63 N 6.98 0.00 -1.37 -4.83 1.02 -1.26 -5.14 120.64 116.04 1crr n GLU 63 Ca 0.18 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.49 1crr n GLU 63 Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.77 1crr n GLU 63 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1crr n TYR 64 N 0.00 -3.61 -2.69 -0.32 9.36 -1.26 -4.87 117.16 113.77 1crr n TYR 64 Ca 0.00 1.93 -0.07 0.00 3.32 0.00 0.00 57.90 63.07 1crr n TYR 64 Cb 0.00 -3.28 0.08 0.00 -0.63 0.00 0.00 39.34 35.51 1crr n TYR 64 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1crr n SER 65 N -4.22 -0.16 -0.03 2.98 7.64 -1.26 -4.91 113.62 113.65 1crr n SER 65 Ca -0.05 -2.53 -0.07 0.00 1.01 0.00 0.00 58.87 57.23 1crr n SER 65 Cb 0.64 0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.41 1.63 0.27 -0.43 0.00 -1.26 -4.01 120.51 116.29 1crr n ALA 66 Ca 0.02 -0.86 0.16 0.00 0.00 0.00 0.00 53.44 52.76 1crr n ALA 66 Cb 0.84 -0.69 0.64 0.00 0.00 0.00 0.00 19.45 20.23 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 0.05 0.00 4.05 -1.97 -2.94 114.93 114.13 1crr h MET 67 Ca -0.32 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1crr h MET 67 Cb 1.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 1crr h MET 67 CO 0.06 0.05 -0.03 -0.09 0.23 0.00 0.00 176.91 177.13 1crr h ARG 68 N 0.00 -0.07 -0.64 0.39 2.43 -1.96 -0.55 114.38 113.98 1crr h ARG 68 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1crr h ARG 68 Cb 0.55 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1crr h ARG 68 CO 0.01 0.22 0.26 0.22 -1.51 0.00 0.00 179.97 179.16 1crr h ASP 69 N -0.36 0.88 0.22 -3.80 1.82 -1.75 -1.08 116.42 112.35 1crr h ASP 69 Ca -0.01 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.45 1crr h ASP 69 Cb 0.32 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1crr h ASP 69 CO 0.01 0.81 -0.06 1.56 -1.61 0.00 0.00 179.24 179.95 1crr h GLN 70 N 0.90 0.00 -0.07 0.28 4.20 -1.42 -1.55 115.11 117.45 1crr h GLN 70 Ca 0.21 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.73 1crr h GLN 70 Cb 0.20 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1crr h GLN 70 CO -0.02 0.06 -0.78 -0.92 -0.67 0.00 0.00 178.83 176.50 1crr h TYR 71 N 0.00 0.62 -0.09 2.96 3.20 0.21 -2.15 116.97 121.71 1crr h TYR 71 Ca -0.00 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 61.61 1crr h TYR 71 Cb 0.19 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1crr h TYR 71 CO 0.00 1.06 0.15 0.52 -1.64 0.00 0.00 178.16 178.26 1crr h MET 72 N 0.29 0.00 0.00 1.82 2.86 -0.90 -0.16 114.93 118.84 1crr h MET 72 Ca -0.04 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1crr h MET 72 Cb 1.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.02 1crr h MET 72 CO 0.14 0.00 -1.81 -2.13 1.06 0.00 0.00 176.91 174.17 1crr n ARG 73 N -3.53 0.65 -0.06 1.72 0.00 -1.05 -4.62 116.66 109.77 1crr n ARG 73 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.85 57.78 1crr n ARG 73 Cb 0.25 -1.63 -0.01 0.00 0.00 0.00 0.00 32.46 31.07 1crr n ARG 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1crr n THR 74 N -2.55 1.23 -0.27 5.15 -2.24 -0.23 -4.96 114.28 110.40 1crr n THR 74 Ca -0.11 0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.66 1crr n THR 74 Cb 0.74 -2.27 0.26 0.00 -2.10 0.00 0.00 70.33 66.96 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 1.63 -3.84 0.00 3.38 0.00 -0.31 -4.99 105.19 101.06 1crr n GLY 75 Ca -0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -5.35 0.00 -2.37 1.61 4.71 -1.25 -4.91 120.64 113.09 1crr n GLU 76 Ca 0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.89 1crr n GLU 76 Cb 0.54 -0.39 -0.03 0.00 -1.01 0.00 0.00 31.44 30.55 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 -2.11 0.71 -0.99 0.62 0.00 -0.84 -3.94 107.32 100.77 1crr s GLY 77 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 44.72 43.17 1crr s GLY 77 CO 0.00 2.94 1.18 -1.36 0.00 0.00 0.00 173.10 175.86 1crr s PHE 78 N 6.89 3.23 -1.09 1.90 0.08 -1.15 0.12 117.98 127.96 1crr s PHE 78 Ca 0.49 -1.57 -0.22 0.00 0.12 0.00 0.00 56.93 55.75 1crr s PHE 78 Cb -0.07 -4.27 0.04 0.00 -0.57 0.00 0.00 43.02 38.14 1crr s PHE 78 CO 0.10 -1.45 1.60 -1.17 -0.10 0.00 0.00 175.22 174.19 1crr s LEU 79 N 2.36 3.54 -1.04 -0.37 2.96 -0.49 -2.28 118.68 123.35 1crr s LEU 79 Ca 0.34 -1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 52.38 1crr s LEU 79 Cb -0.05 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1crr s LEU 79 CO -0.07 -1.61 1.82 0.00 -1.32 0.00 0.00 176.35 175.16 1crr s VAL 81 N 8.66 2.23 -0.27 0.00 1.01 -0.63 -2.61 120.40 128.79 1crr s VAL 81 Ca 0.63 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1crr s VAL 81 Cb -0.03 -3.11 0.16 0.00 0.00 0.00 0.00 36.38 33.40 1crr s VAL 81 CO 0.02 0.01 0.45 0.72 0.00 0.00 0.00 175.10 176.31 1crr s PHE 82 N -1.27 -1.13 -0.06 5.22 -0.12 -0.85 -4.11 117.98 115.65 1crr s PHE 82 Ca 0.64 0.99 -0.30 0.00 -0.05 0.00 0.00 56.93 58.22 1crr s PHE 82 Cb -0.41 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.08 1crr s PHE 82 CO 0.50 -0.83 1.65 0.00 -0.05 0.00 0.00 175.22 176.50 1crr s ALA 83 N 2.64 3.60 -0.71 1.99 0.00 -1.26 -1.85 121.76 126.18 1crr s ALA 83 Ca 0.14 0.92 0.20 0.00 0.00 0.00 0.00 51.96 53.22 1crr s ALA 83 Cb -0.14 -3.75 0.84 0.00 0.00 0.00 0.00 23.12 20.06 1crr s ALA 83 CO -0.20 -1.42 1.62 0.44 0.00 0.00 0.00 175.76 176.19 1crr n ILE 84 N 5.52 0.87 0.00 0.00 -5.35 -1.00 -2.71 119.36 116.70 1crr n ILE 84 Ca 0.17 0.22 0.04 0.00 -0.27 0.00 0.00 62.75 62.91 1crr n ILE 84 Cb 0.43 -1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 37.15 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 -1.93 0.40 -0.04 7.28 3.02 -1.26 -2.09 115.26 120.63 1crr n ASN 85 Ca 0.03 0.17 -0.16 0.00 -0.03 0.00 0.00 54.58 54.59 1crr n ASN 85 Cb 0.21 1.00 -0.13 0.00 -0.61 0.00 0.00 39.78 40.25 1crr n ASN 85 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1crr h ASN 86 N 0.00 0.12 0.00 6.41 -0.73 -1.89 -3.41 115.58 116.08 1crr h ASN 86 Ca -0.15 -0.99 0.00 0.00 1.87 0.00 0.00 56.30 57.03 1crr h ASN 86 Cb 1.41 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.96 1crr h ASN 86 CO 0.02 1.10 0.00 0.41 -0.37 0.00 0.00 177.43 178.59 1crr n THR 87 N -4.49 0.00 0.09 -3.57 -1.04 -1.13 -4.67 114.28 99.47 1crr n THR 87 Ca -0.11 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1crr n THR 87 Cb 0.57 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.51 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 0.32 -0.28 -2.82 3.64 -1.92 -0.44 116.57 115.06 1crr h LYS 88 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1crr h LYS 88 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1crr h LYS 88 CO 0.00 0.33 -0.02 0.66 -2.27 0.00 0.00 179.45 178.15 1crr h SER 89 N 0.32 0.40 0.11 4.20 4.64 -1.84 -2.06 113.55 119.33 1crr h SER 89 Ca 0.08 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1crr h SER 89 Cb 0.18 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1crr h SER 89 CO 0.00 0.48 -0.07 0.15 -0.87 0.00 0.00 176.83 176.52 1crr h PHE 90 N 0.42 -0.19 0.00 4.77 3.57 -1.33 -0.90 116.94 123.28 1crr h PHE 90 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1crr h PHE 90 Cb 0.31 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1crr h PHE 90 CO 0.01 -0.12 -0.01 0.93 -2.23 0.00 0.00 178.31 176.90 1crr h GLU 91 N -0.18 0.00 -0.18 1.11 4.39 -1.30 -0.62 114.58 117.80 1crr h GLU 91 Ca -0.01 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1crr h GLU 91 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1crr h GLU 91 CO 0.00 0.01 -0.45 -0.44 -1.16 0.00 0.00 179.01 176.97 1crr h ASP 92 N 0.00 0.47 0.03 1.42 3.32 -0.52 -2.64 116.42 118.50 1crr h ASP 92 Ca -0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1crr h ASP 92 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1crr h ASP 92 CO 0.00 0.85 -0.10 0.40 -1.72 0.00 0.00 179.24 178.67 1crr h ILE 93 N 0.35 1.14 0.54 0.35 1.08 -0.02 -0.82 117.51 120.14 1crr h ILE 93 Ca 0.02 -0.60 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1crr h ILE 93 Cb 0.93 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1crr h ILE 93 CO 0.08 0.19 -0.34 -0.74 -0.69 0.00 0.00 178.15 176.64 1crr h HIS 94 N 0.16 -0.90 -0.00 1.37 -0.00 -1.33 -1.88 115.15 112.57 1crr h HIS 94 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1crr h HIS 94 Cb 0.28 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1crr h HIS 94 CO 0.00 -0.52 -0.00 1.04 -0.00 0.00 0.00 177.93 178.45 1crr n GLN 95 N -5.48 0.96 -0.01 5.26 6.02 -1.09 -3.27 117.38 119.77 1crr n GLN 95 Ca -0.12 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 56.76 1crr n GLN 95 Cb 0.37 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 1crr n GLN 95 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1crr n TYR 96 N -0.98 0.90 0.29 1.08 4.01 -0.33 -3.83 117.16 118.30 1crr n TYR 96 Ca 0.22 0.32 0.05 0.00 -0.16 0.00 0.00 57.90 58.33 1crr n TYR 96 Cb 0.14 -1.14 0.20 0.00 -0.31 0.00 0.00 39.34 38.23 1crr n TYR 96 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1crr n ARG 97 N -2.97 2.63 -0.03 -0.72 -4.01 -0.76 -3.61 116.66 107.19 1crr n ARG 97 Ca -0.16 -1.55 -0.04 0.00 -1.04 0.00 0.00 57.85 55.06 1crr n ARG 97 Cb 1.00 -1.68 -0.04 0.00 -3.04 0.00 0.00 32.46 28.70 1crr n ARG 97 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1crr n GLU 98 N 0.44 1.70 0.06 2.89 -0.00 -1.25 -4.31 120.64 120.17 1crr n GLU 98 Ca 0.14 0.02 -0.08 0.00 -0.00 0.00 0.00 57.16 57.24 1crr n GLU 98 Cb 0.59 -1.14 0.06 0.00 -0.00 0.00 0.00 31.44 30.96 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1crr h GLN 99 N 0.00 0.35 -0.51 3.44 4.15 -1.67 0.10 115.11 120.97 1crr h GLN 99 Ca -0.15 -0.26 -0.10 0.00 0.77 0.00 0.00 58.65 58.91 1crr h GLN 99 Cb 1.29 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.01 1crr h GLN 99 CO -0.01 0.89 -0.07 0.82 -1.93 0.00 0.00 178.83 178.53 1crr h ILE 100 N 0.25 1.26 0.00 2.39 2.04 -1.81 -0.64 117.51 121.00 1crr h ILE 100 Ca -0.02 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1crr h ILE 100 Cb 1.22 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1crr h ILE 100 CO 0.11 0.41 -0.19 0.11 0.00 0.00 0.00 178.15 178.59 1crr h LYS 101 N 0.82 0.00 -0.22 2.37 1.57 -1.69 -2.80 116.57 116.63 1crr h LYS 101 Ca 0.14 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1crr h LYS 101 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1crr h LYS 101 CO 0.04 0.19 -0.52 -0.09 -0.57 0.00 0.00 179.45 178.50 1crr h ARG 102 N 0.00 0.62 0.09 3.15 2.43 0.51 0.17 114.38 121.34 1crr h ARG 102 Ca -0.00 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1crr h ARG 102 Cb 0.75 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1crr h ARG 102 CO 0.02 0.99 -0.04 0.28 -1.51 0.00 0.00 179.97 179.71 1crr h VAL 103 N 0.48 0.00 0.00 0.20 2.07 -1.05 -3.19 116.25 114.76 1crr h VAL 103 Ca 0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1crr h VAL 103 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1crr h VAL 103 CO 0.10 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.80 1crr h LYS 104 N -0.22 0.00 -5.79 1.57 1.79 -1.64 -3.46 116.57 108.81 1crr h LYS 104 Ca -0.01 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.09 1crr h LYS 104 Cb 0.09 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 30.88 1crr h LYS 104 CO 0.02 0.00 -0.76 -0.25 -1.08 0.00 0.00 179.45 177.38 1crr n ASP 105 N -3.00 -3.06 -3.49 0.86 9.92 0.56 -4.99 116.55 113.36 1crr n ASP 105 Ca -0.02 -0.64 -0.11 0.00 -0.53 0.00 0.00 54.79 53.49 1crr n ASP 105 Cb 0.11 -4.89 -0.03 0.00 -0.64 0.00 0.00 41.12 35.67 1crr n ASP 105 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1crr s SER 106 N -4.07 -0.47 -0.96 -2.24 0.01 -1.09 -5.03 113.70 99.85 1crr s SER 106 Ca 0.17 0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 1crr s SER 106 Cb -0.08 0.46 0.27 0.00 0.21 0.00 0.00 66.02 66.88 1crr s SER 106 CO 0.75 -0.67 1.10 -0.67 0.41 0.00 0.00 173.24 174.16 1crr n ASP 107 N 0.06 5.20 -2.69 2.44 -0.08 -1.26 -4.68 116.55 115.54 1crr n ASP 107 Ca -0.13 -3.27 -0.06 0.00 -1.51 0.00 0.00 54.79 49.82 1crr n ASP 107 Cb 0.61 -1.13 0.08 0.00 2.34 0.00 0.00 41.12 43.02 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1crr n ASP 108 N 1.75 -1.64 -4.99 1.67 5.68 -1.26 -5.15 116.55 112.61 1crr n ASP 108 Ca 0.25 -2.39 -0.19 0.00 -0.50 0.00 0.00 54.79 51.97 1crr n ASP 108 Cb 0.37 1.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.60 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1crr s VAL 109 N 0.13 3.88 -1.48 2.12 1.01 -1.26 -4.97 120.40 119.83 1crr s VAL 109 Ca 0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1crr s VAL 109 Cb 0.26 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1crr s VAL 109 CO -0.09 -0.15 2.46 -0.81 0.00 0.00 0.00 175.10 176.52 1crr n PRO 110 N -1.73 3.45 -2.52 2.72 -0.05 -1.25 -4.95 135.00 130.66 1crr n PRO 110 Ca 0.01 -2.67 -0.35 0.00 -0.05 0.00 0.00 63.50 60.44 1crr n PRO 110 Cb 0.58 -3.00 -0.03 0.00 -0.05 0.00 0.00 33.50 31.00 1crr n PRO 110 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 175.50 176.86 1crr s MET 111 N 1.99 3.95 -0.25 0.54 1.75 -1.26 -2.93 119.30 123.09 1crr s MET 111 Ca 0.55 1.46 -0.03 0.00 -1.25 0.00 0.00 55.69 56.42 1crr s MET 111 Cb 0.15 -2.31 0.14 0.00 2.84 0.00 0.00 34.83 35.65 1crr s MET 111 CO -0.07 -0.32 0.43 0.08 -0.65 0.00 0.00 175.02 174.49 1crr s VAL 112 N -1.81 -0.69 -0.32 10.11 1.01 -0.97 -4.40 120.40 123.34 1crr s VAL 112 Ca 0.63 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 1crr s VAL 112 Cb -0.20 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1crr s VAL 112 CO 0.24 -0.07 0.78 -0.22 0.00 0.00 0.00 175.10 175.84 1crr s LEU 113 N 2.62 4.09 -0.26 3.92 0.20 -1.01 -1.76 118.68 126.48 1crr s LEU 113 Ca 0.12 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.55 1crr s LEU 113 Cb -0.15 -3.06 0.04 0.00 -0.43 0.00 0.00 46.19 42.59 1crr s LEU 113 CO -0.16 -0.63 -0.08 -0.69 -0.29 0.00 0.00 176.35 174.49 1crr s VAL 114 N 2.97 2.54 -0.34 1.68 1.01 -1.07 -2.47 120.40 124.72 1crr s VAL 114 Ca 0.32 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1crr s VAL 114 Cb -0.14 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1crr s VAL 114 CO 0.13 0.09 0.89 -0.83 0.00 0.00 0.00 175.10 175.37 1crr s GLY 115 N 1.22 1.62 0.75 4.51 0.00 -0.83 -2.01 107.32 112.59 1crr s GLY 115 Ca -0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.27 1crr s GLY 115 CO -0.05 1.93 1.03 0.21 0.00 0.00 0.00 173.10 176.23 1crr s ASN 116 N 1.76 4.16 -0.69 1.64 2.47 -0.77 -1.41 114.94 122.10 1crr s ASN 116 Ca 0.36 -0.50 -0.03 0.00 0.42 0.00 0.00 52.86 53.11 1crr s ASN 116 Cb -0.13 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.92 1crr s ASN 116 CO 0.16 -2.01 0.59 0.29 -3.72 0.00 0.00 177.10 172.41 1crr n LYS 117 N -2.91 -3.94 -0.81 0.43 4.76 -0.36 -2.37 118.16 112.96 1crr n LYS 117 Ca 0.17 0.45 -0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1crr n LYS 117 Cb 0.61 -4.30 0.29 0.00 -1.84 0.00 0.00 35.03 29.78 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1crr n ASP 119 N -0.35 4.31 -2.76 0.00 5.75 -1.26 -4.99 116.55 117.25 1crr n ASP 119 Ca 0.33 -3.55 0.02 0.00 -0.01 0.00 0.00 54.79 51.58 1crr n ASP 119 Cb 1.17 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.41 0.00 -0.12 -2.12 -0.00 -1.26 -5.05 117.00 108.86 1crr n LEU 120 Ca 0.31 -0.11 -0.15 0.00 -0.00 0.00 0.00 56.01 56.06 1crr n LEU 120 Cb 0.39 0.99 -0.13 0.00 -0.00 0.00 0.00 43.42 44.67 1crr n LEU 120 CO 0.40 -0.04 -1.27 0.00 -0.00 0.00 0.00 177.39 176.48 1crr n ALA 121 N -1.80 1.47 -1.55 1.47 0.00 -1.26 -4.82 120.51 114.02 1crr n ALA 121 Ca -0.06 -1.19 -0.18 0.00 0.00 0.00 0.00 53.44 52.01 1crr n ALA 121 Cb 0.34 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.06 0.45 -3.90 0.00 0.00 -1.26 -4.88 120.51 107.86 1crr n ALA 122 Ca -0.41 -1.28 -0.33 0.00 0.00 0.00 0.00 53.44 51.42 1crr n ALA 122 Cb 1.05 -3.22 -0.16 0.00 0.00 0.00 0.00 19.45 17.12 1crr n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1crr s ARG 123 N 8.73 3.08 -0.15 0.00 3.52 -1.26 -4.66 118.95 128.20 1crr s ARG 123 Ca 0.96 -0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 55.72 1crr s ARG 123 Cb -0.19 -2.63 -0.24 0.00 -1.56 0.00 0.00 34.95 30.33 1crr s ARG 123 CO 0.14 -0.16 0.23 0.25 -0.81 0.00 0.00 175.30 174.96 1crr n THR 124 N 4.52 1.72 -2.77 4.11 -2.24 -1.14 -4.87 114.28 113.61 1crr n THR 124 Ca -0.20 -0.62 -0.40 0.00 -2.27 0.00 0.00 64.05 60.55 1crr n THR 124 Cb 0.50 -1.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.00 1crr n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1crr s VAL 125 N -2.55 4.28 -0.47 2.28 1.01 -0.89 -4.95 120.40 119.12 1crr s VAL 125 Ca -0.25 2.04 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1crr s VAL 125 Cb 0.07 -4.31 0.62 0.00 0.00 0.00 0.00 36.38 32.76 1crr s VAL 125 CO 0.73 0.43 1.92 -1.84 0.00 0.00 0.00 175.10 176.33 1crr n GLU 126 N 2.05 2.28 0.00 2.72 0.00 -1.26 -4.96 120.64 121.46 1crr n GLU 126 Ca -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 57.16 54.19 1crr n GLU 126 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.76 1crr n GLU 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1crr n SER 127 N -1.06 0.00 -0.13 -1.84 2.88 -1.26 -4.55 113.62 107.65 1crr n SER 127 Ca 0.59 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 58.39 1crr n SER 127 Cb 1.49 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 65.53 1crr n SER 127 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1crr h ARG 128 N 0.00 0.00 0.19 -1.46 1.12 -1.99 0.35 114.38 112.58 1crr h ARG 128 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1crr h ARG 128 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1crr h ARG 128 CO 0.00 0.00 -0.09 1.96 -3.11 0.00 0.00 179.97 178.73 1crr h GLN 129 N 0.00 -0.24 0.00 0.20 4.20 -1.96 -1.40 115.11 115.91 1crr h GLN 129 Ca 0.41 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1crr h GLN 129 Cb 2.31 0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.14 1crr h GLN 129 CO -0.00 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1crr h ALA 130 N 0.27 1.00 0.04 3.87 0.00 -1.32 -1.05 119.26 122.07 1crr h ALA 130 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1crr h ALA 130 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1crr h ALA 130 CO 0.04 0.00 -1.08 1.96 0.00 0.00 0.00 179.25 180.17 1crr h GLN 131 N 0.00 0.08 0.00 0.00 4.20 -1.20 -1.99 115.11 116.20 1crr h GLN 131 Ca 0.00 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 1crr h GLN 131 Cb 0.15 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1crr h GLN 131 CO 0.00 1.07 -0.68 -0.44 -0.67 0.00 0.00 178.83 178.11 1crr h ASP 132 N 0.02 0.00 0.00 1.46 3.32 -0.15 -2.62 116.42 118.46 1crr h ASP 132 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1crr h ASP 132 Cb 1.83 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.38 1crr h ASP 132 CO 0.15 0.64 -0.53 0.25 -1.72 0.00 0.00 179.24 178.04 1crr h LEU 133 N 0.00 0.00 -0.37 1.55 5.85 -1.44 -3.20 115.31 117.70 1crr h LEU 133 Ca -0.01 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1crr h LEU 133 Cb 1.50 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1crr h LEU 133 CO 0.08 0.87 0.23 0.00 -0.34 0.00 0.00 178.44 179.28 1crr h ALA 134 N -0.82 0.47 -0.38 1.25 0.00 -1.53 -2.31 119.26 115.94 1crr h ALA 134 Ca -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1crr h ALA 134 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1crr h ALA 134 CO -0.04 -0.04 0.20 -0.09 0.00 0.00 0.00 179.25 179.27 1crr h ARG 135 N 0.49 0.51 -0.27 0.00 2.43 -1.63 -0.43 114.38 115.48 1crr h ARG 135 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1crr h ARG 135 Cb -0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1crr h ARG 135 CO -0.03 0.39 0.09 0.77 -1.51 0.00 0.00 179.97 179.69 1crr h SER 136 N 0.52 0.33 0.62 -3.80 0.02 -1.41 -1.74 113.55 108.08 1crr h SER 136 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1crr h SER 136 Cb 0.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1crr h SER 136 CO -0.02 0.32 -0.86 -1.22 -1.14 0.00 0.00 176.83 173.91 1crr n TYR 137 N -4.41 0.39 -2.61 3.45 4.01 -0.48 -4.96 117.16 112.54 1crr n TYR 137 Ca 0.01 0.11 -0.03 0.00 -0.16 0.00 0.00 57.90 57.83 1crr n TYR 137 Cb 0.14 -0.53 0.01 0.00 -0.31 0.00 0.00 39.34 38.65 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 1.35 0.75 3.40 2.72 0.00 -0.29 -5.06 105.19 108.06 1crr n GLY 138 Ca 0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.00 2.38 0.56 -0.61 -4.36 -0.96 -5.03 121.20 110.18 1crr s ILE 139 Ca 0.07 -1.59 -0.20 0.00 -0.26 0.00 0.00 60.65 58.67 1crr s ILE 139 Cb -0.03 -2.03 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 1crr s ILE 139 CO 0.09 0.17 1.20 -2.16 0.24 0.00 0.00 174.94 174.48 1crr s PRO 140 N -1.85 3.19 0.00 0.37 0.04 -1.26 -4.44 135.00 131.04 1crr s PRO 140 Ca 0.14 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1crr s PRO 140 Cb -0.10 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1crr s PRO 140 CO 0.06 -1.03 -0.22 -0.47 0.04 0.00 0.00 177.00 175.38 1crr s TYR 141 N -1.60 2.46 0.30 0.56 5.04 -1.26 -2.41 117.35 120.45 1crr s TYR 141 Ca 0.74 -0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 55.03 1crr s TYR 141 Cb -0.29 -1.49 -0.01 0.00 0.35 0.00 0.00 41.96 40.51 1crr s TYR 141 CO 0.33 0.12 0.37 0.42 -1.34 0.00 0.00 175.55 175.44 1crr s ILE 142 N -0.76 0.00 0.21 3.14 1.01 -1.03 -5.03 121.20 118.74 1crr s ILE 142 Ca 0.12 -1.74 0.11 0.00 0.00 0.00 0.00 60.65 59.13 1crr s ILE 142 Cb -0.10 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1crr s ILE 142 CO 0.02 0.00 -0.21 -1.61 0.00 0.00 0.00 174.94 173.13 1crr s GLU 143 N -3.47 1.49 0.04 2.79 2.02 -1.26 -1.96 118.70 118.35 1crr s GLU 143 Ca 0.33 -1.57 -0.21 0.00 0.02 0.00 0.00 54.97 53.55 1crr s GLU 143 Cb 0.02 -1.66 0.05 0.00 0.10 0.00 0.00 34.13 32.63 1crr s GLU 143 CO 0.19 0.34 0.48 0.95 0.02 0.00 0.00 175.26 177.24 1crr s THR 144 N -2.06 0.04 -0.29 3.63 -4.23 -0.50 -4.25 115.64 107.98 1crr s THR 144 Ca 0.22 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 1crr s THR 144 Cb -0.06 -0.95 0.19 0.00 1.34 0.00 0.00 72.50 73.02 1crr s THR 144 CO 0.10 -0.17 0.68 -0.55 -0.54 0.00 0.00 174.62 174.14 1crr s SER 145 N -1.90 -1.35 0.32 3.99 0.15 0.03 -1.22 113.70 113.72 1crr s SER 145 Ca -0.06 0.36 0.24 0.00 0.70 0.00 0.00 55.95 57.19 1crr s SER 145 Cb -0.01 1.94 1.14 0.00 -1.71 0.00 0.00 66.02 67.38 1crr s SER 145 CO -0.01 -0.25 1.73 0.00 1.20 0.00 0.00 173.24 175.91 1crr h ALA 146 N 7.91 1.00 0.00 5.45 0.00 -1.90 -2.01 119.26 129.71 1crr h ALA 146 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1crr h ALA 146 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1crr h ALA 146 CO 0.13 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.55 1crr n LYS 147 N -2.32 0.14 -0.67 0.00 4.81 -1.26 -3.58 118.16 115.28 1crr n LYS 147 Ca 0.00 0.52 -0.02 0.00 -0.87 0.00 0.00 58.31 57.95 1crr n LYS 147 Cb 0.14 -1.86 -0.02 0.00 0.02 0.00 0.00 35.03 33.31 1crr n LYS 147 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1crr n THR 148 N -2.14 0.00 -2.71 3.15 5.66 -0.97 -4.99 114.28 112.28 1crr n THR 148 Ca 0.00 -0.03 -0.16 0.00 -3.05 0.00 0.00 64.05 60.81 1crr n THR 148 Cb 0.11 0.21 -0.00 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 -2.71 -3.17 1.09 1.74 -0.80 -4.90 116.66 107.92 1crr n ARG 149 Ca -0.08 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1crr n ARG 149 Cb 0.59 -5.26 -0.07 0.00 -1.02 0.00 0.00 32.46 26.70 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 -5.32 3.61 0.00 5.56 2.00 -0.99 -3.98 119.66 120.54 1crr s GLN 150 Ca 0.12 -0.09 0.00 0.00 -2.00 0.00 0.00 55.36 53.39 1crr s GLN 150 Cb -0.06 -3.82 0.00 0.00 0.80 0.00 0.00 33.01 29.93 1crr s GLN 150 CO 0.15 -0.72 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 1crr n GLY 151 N 4.76 3.19 0.39 2.59 0.00 -1.26 -0.79 105.19 114.07 1crr n GLY 151 Ca -0.03 0.00 0.17 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 0.74 -0.10 1.61 2.07 -1.76 -1.47 116.25 117.35 1crr h VAL 152 Ca 0.00 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1crr h VAL 152 Cb 0.00 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1crr h VAL 152 CO 0.00 0.07 -0.37 -0.33 0.02 0.00 0.00 177.57 176.96 1crr h GLU 153 N 0.37 0.42 0.00 1.57 4.39 -1.90 -2.91 114.58 116.53 1crr h GLU 153 Ca 0.40 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1crr h GLU 153 Cb 1.00 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1crr h GLU 153 CO -0.12 0.95 -0.06 0.22 -1.16 0.00 0.00 179.01 178.83 1crr h ASP 154 N -0.02 0.00 0.01 1.42 1.82 -1.65 -1.97 116.42 116.04 1crr h ASP 154 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1crr h ASP 154 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1crr h ASP 154 CO 0.08 0.06 -0.01 0.00 -1.61 0.00 0.00 179.24 177.76 1crr h ALA 155 N 1.94 -0.05 -0.26 -0.78 0.00 -1.28 -2.91 119.26 115.93 1crr h ALA 155 Ca -0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1crr h ALA 155 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1crr h ALA 155 CO 0.01 -0.04 0.25 0.74 0.00 0.00 0.00 179.25 180.20 1crr h PHE 156 N -0.36 0.00 0.00 0.00 -1.00 -1.56 -2.02 116.94 112.00 1crr h PHE 156 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1crr h PHE 156 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1crr h PHE 156 CO 0.01 0.00 -0.00 1.88 -1.61 0.00 0.00 178.31 178.58 1crr h TYR 157 N 0.00 -0.00 0.00 -0.55 -1.99 -1.48 -3.00 116.97 109.95 1crr h TYR 157 Ca 0.12 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1crr h TYR 157 Cb 0.62 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.35 1crr h TYR 157 CO 0.00 0.73 -0.10 1.15 -0.00 0.00 0.00 178.16 179.94 1crr h THR 158 N -0.74 0.52 0.27 -2.88 2.02 -1.22 -1.88 112.91 108.99 1crr h THR 158 Ca -0.00 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1crr h THR 158 Cb 0.73 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1crr h THR 158 CO 0.00 0.10 -0.13 -0.07 0.37 0.00 0.00 175.52 175.79 1crr h LEU 159 N 0.00 -0.30 -1.88 2.58 4.07 -1.38 -2.67 115.31 115.72 1crr h LEU 159 Ca -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.71 1crr h LEU 159 Cb 0.29 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 1crr h LEU 159 CO 0.01 0.16 -0.09 0.58 -1.08 0.00 0.00 178.44 178.02 1crr h VAL 160 N -0.87 0.36 -0.10 1.22 2.07 -1.40 -2.38 116.25 115.16 1crr h VAL 160 Ca -0.04 -0.52 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 1crr h VAL 160 Cb 0.51 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1crr h VAL 160 CO 0.06 0.09 -0.67 0.03 0.02 0.00 0.00 177.57 177.10 1crr h ARG 161 N 0.00 0.39 0.17 1.57 3.08 -1.29 -2.27 114.38 116.03 1crr h ARG 161 Ca -0.00 -0.30 -0.30 0.00 0.07 0.00 0.00 59.98 59.45 1crr h ARG 161 Cb 0.37 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1crr h ARG 161 CO 0.01 0.92 -1.39 0.93 -1.07 0.00 0.00 179.97 179.37 1crr h GLU 162 N 0.28 0.35 -0.29 0.04 5.08 -1.11 -3.12 114.58 115.82 1crr h GLU 162 Ca -0.02 -0.60 -0.12 0.00 -1.00 0.00 0.00 59.36 57.63 1crr h GLU 162 Cb 1.22 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1crr h GLU 162 CO 0.11 1.27 -0.30 0.82 -1.00 0.00 0.00 179.01 179.91 1crr h ILE 163 N 0.10 1.28 0.43 3.13 2.04 -1.47 -2.81 117.51 120.20 1crr h ILE 163 Ca -0.20 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1crr h ILE 163 Cb 2.04 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1crr h ILE 163 CO 0.22 0.45 -0.20 -0.09 0.00 0.00 0.00 178.15 178.52 1crr h ARG 164 N 0.52 -0.55 0.01 2.37 2.43 -1.49 -3.30 114.38 114.37 1crr h ARG 164 Ca 0.06 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1crr h ARG 164 Cb 0.78 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1crr h ARG 164 CO 0.06 -0.25 -0.38 0.37 -1.51 0.00 0.00 179.97 178.27 1crr h GLN 165 N -0.85 -0.46 0.00 0.20 -0.00 -1.55 -3.52 115.11 108.93 1crr h GLN 165 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1crr h GLN 165 Cb 0.56 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.14 1crr h GLN 165 CO 0.10 -0.31 0.00 1.58 0.00 0.00 0.00 178.83 180.20