#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 4.21 0.09 2.03 2.01 -1.26 -4.72 115.64 118.00 1crr s THR 2 Ca 0.00 0.83 0.10 0.00 0.31 0.00 0.00 61.69 62.93 1crr s THR 2 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1crr s THR 2 CO 0.00 -0.83 -0.27 -1.83 -0.69 0.00 0.00 174.62 171.01 1crr s GLU 3 N -4.74 1.59 0.15 4.92 -1.05 -1.26 -1.04 118.70 117.27 1crr s GLU 3 Ca 0.59 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 54.18 1crr s GLU 3 Cb -0.13 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.58 1crr s GLU 3 CO 0.48 0.48 0.00 0.71 0.95 0.00 0.00 175.26 177.88 1crr s TYR 4 N -0.94 1.06 -0.25 4.83 2.02 -0.94 -5.00 117.35 118.13 1crr s TYR 4 Ca 0.13 -1.05 0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1crr s TYR 4 Cb -0.10 -0.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.90 1crr s TYR 4 CO 0.04 -0.27 -0.12 0.15 -1.57 0.00 0.00 175.55 173.78 1crr s LYS 5 N -3.93 2.37 -1.26 -0.62 1.02 -1.26 -1.04 119.74 115.02 1crr s LYS 5 Ca 0.21 -1.26 -0.16 0.00 0.02 0.00 0.00 55.97 54.78 1crr s LYS 5 Cb 0.06 -2.85 0.12 0.00 -0.52 0.00 0.00 37.83 34.64 1crr s LYS 5 CO 0.02 -0.51 1.62 1.28 -0.92 0.00 0.00 175.35 176.83 1crr n LEU 6 N 4.47 5.16 -4.55 3.17 4.77 -1.00 -1.81 117.00 127.21 1crr n LEU 6 Ca -0.15 -4.19 -0.17 0.00 -0.03 0.00 0.00 56.01 51.47 1crr n LEU 6 Cb 0.43 -1.68 -0.08 0.00 -2.33 0.00 0.00 43.42 39.77 1crr n LEU 6 CO 0.22 0.47 1.38 0.52 -1.33 0.00 0.00 177.39 178.65 1crr n VAL 7 N 5.47 -0.01 -2.38 4.08 0.31 0.25 -2.91 118.33 123.14 1crr n VAL 7 Ca 0.43 -0.53 -0.28 0.00 -0.01 0.00 0.00 64.34 63.95 1crr n VAL 7 Cb 0.44 -1.96 0.01 0.00 -0.91 0.00 0.00 33.84 31.42 1crr n VAL 7 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1crr s VAL 8 N 13.62 4.55 0.06 2.52 1.01 -0.98 -2.03 120.40 139.16 1crr s VAL 8 Ca 0.96 0.32 -0.09 0.00 0.00 0.00 0.00 61.98 63.18 1crr s VAL 8 Cb -0.19 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1crr s VAL 8 CO 0.14 -0.83 0.42 1.33 0.00 0.00 0.00 175.10 176.16 1crr n VAL 9 N -2.47 0.00 0.00 2.92 0.24 -1.05 -4.47 118.33 113.50 1crr n VAL 9 Ca 0.03 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1crr n VAL 9 Cb 0.55 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.30 0.80 3.96 7.63 0.00 -1.26 -1.74 105.19 114.29 1crr n GLY 10 Ca -0.01 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.20 3.92 -0.65 4.61 0.00 -1.24 -4.99 121.76 122.21 1crr s ALA 11 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 51.96 50.51 1crr s ALA 11 Cb 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.27 1crr s ALA 11 CO 0.00 0.01 1.25 0.20 0.00 0.00 0.00 175.76 177.22 1crr s GLY 12 N -4.08 1.00 0.00 0.00 0.00 -1.26 -2.97 107.32 100.01 1crr s GLY 12 Ca 0.40 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1crr s GLY 12 CO 0.33 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.63 1crr n GLY 13 N 5.22 1.50 0.35 0.20 0.00 -1.26 -4.99 105.19 106.21 1crr n GLY 13 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 1.10 0.00 1.61 -1.51 -1.91 -3.46 116.25 112.08 1crr h VAL 14 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1crr h VAL 14 Cb 0.00 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.28 1crr h VAL 14 CO 0.00 0.16 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 1crr n GLY 15 N -1.43 1.40 0.22 5.19 0.00 -1.26 -4.22 105.19 105.09 1crr n GLY 15 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.52 0.61 1.61 1.57 -1.88 -2.68 116.57 115.28 1crr h LYS 16 Ca 0.00 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1crr h LYS 16 Cb 0.00 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1crr h LYS 16 CO 0.00 -0.34 -0.29 0.77 -0.57 0.00 0.00 179.45 179.01 1crr h SER 17 N -0.80 -0.69 -1.47 0.86 0.02 -1.98 -2.30 113.55 107.19 1crr h SER 17 Ca -0.05 0.02 0.44 0.00 -0.84 0.00 0.00 61.79 61.36 1crr h SER 17 Cb 0.41 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.04 1crr h SER 17 CO 0.09 -0.47 1.02 0.00 -1.14 0.00 0.00 176.83 176.33 1crr h ALA 18 N -1.58 3.17 -0.06 3.77 0.00 -1.85 0.44 119.26 123.15 1crr h ALA 18 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1crr h ALA 18 Cb 0.63 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1crr h ALA 18 CO 0.14 -1.67 -0.08 -0.07 0.00 0.00 0.00 179.25 177.56 1crr h LEU 19 N 0.06 0.18 0.43 0.00 3.38 -1.23 -2.08 115.31 116.05 1crr h LEU 19 Ca 0.76 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1crr h LEU 19 Cb 2.77 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.47 1crr h LEU 19 CO -0.15 0.66 -0.22 0.74 0.09 0.00 0.00 178.44 179.55 1crr h THR 20 N -0.30 0.00 -0.82 0.22 2.02 0.40 -2.37 112.91 112.07 1crr h THR 20 Ca 0.01 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.42 1crr h THR 20 Cb 0.61 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1crr h THR 20 CO 0.02 0.00 0.68 0.40 0.37 0.00 0.00 175.52 176.99 1crr h ILE 21 N -0.59 0.40 0.48 3.11 5.03 -1.41 -1.90 117.51 122.62 1crr h ILE 21 Ca -0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.66 1crr h ILE 21 Cb 0.46 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1crr h ILE 21 CO 0.08 0.00 -0.23 1.56 -0.68 0.00 0.00 178.15 178.88 1crr h GLN 22 N 0.00 -0.62 -0.01 2.37 1.08 -0.86 -0.54 115.11 116.53 1crr h GLN 22 Ca 0.39 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1crr h GLN 22 Cb 1.75 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.32 1crr h GLN 22 CO -0.00 -0.41 0.11 1.25 -0.95 0.00 0.00 178.83 178.82 1crr h LEU 23 N -0.69 0.00 0.00 1.46 5.85 -1.03 -3.30 115.31 117.60 1crr h LEU 23 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1crr h LEU 23 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1crr h LEU 23 CO 0.11 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.83 1crr n ILE 24 N -3.11 0.00 0.00 4.05 5.41 -0.84 -4.93 119.36 119.94 1crr n ILE 24 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1crr n ILE 24 Cb 0.17 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 1crr n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1crr n GLN 25 N -0.73 0.00 0.00 0.38 6.02 -0.24 -5.06 117.38 117.75 1crr n GLN 25 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1crr n GLN 25 Cb 0.00 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.24 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 0.00 0.00 -3.59 1.08 5.03 -1.24 -4.97 115.26 111.56 1crr n ASN 26 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 1crr n ASN 26 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 1crr s HIS 27 N 0.00 -0.16 -0.45 3.10 -3.43 -1.26 -5.09 115.29 108.00 1crr s HIS 27 Ca 0.00 0.16 -0.16 0.00 -0.80 0.00 0.00 55.06 54.25 1crr s HIS 27 Cb 0.00 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.70 1crr s HIS 27 CO 0.00 -0.22 0.42 0.12 -2.00 0.00 0.00 174.74 173.06 1crr s PHE 28 N -2.10 3.19 -0.04 0.38 5.36 -1.26 -4.48 117.98 119.04 1crr s PHE 28 Ca 0.08 -0.66 -0.18 0.00 -0.96 0.00 0.00 56.93 55.21 1crr s PHE 28 Cb -0.01 -3.03 -0.05 0.00 -0.34 0.00 0.00 43.02 39.59 1crr s PHE 28 CO -0.05 -0.76 0.50 0.14 -1.46 0.00 0.00 175.22 173.59 1crr s VAL 29 N 1.92 5.03 -0.31 3.12 -7.23 -1.26 -4.96 120.40 116.71 1crr s VAL 29 Ca 0.08 1.04 0.15 0.00 -1.81 0.00 0.00 61.98 61.44 1crr s VAL 29 Cb -0.21 -3.83 0.45 0.00 0.56 0.00 0.00 36.38 33.35 1crr s VAL 29 CO 0.10 0.43 1.35 0.47 -0.31 0.00 0.00 175.10 177.14 1crr n ASP 30 N 2.78 3.50 -1.81 4.85 8.00 -1.26 -4.66 116.55 127.95 1crr n ASP 30 Ca -0.09 -2.80 -0.01 0.00 0.71 0.00 0.00 54.79 52.60 1crr n ASP 30 Cb 0.51 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1crr n GLU 31 N -0.40 0.02 -3.08 -1.24 0.28 -1.26 -5.09 120.64 109.87 1crr n GLU 31 Ca 0.18 -0.15 -0.43 0.00 -0.16 0.00 0.00 57.16 56.61 1crr n GLU 31 Cb 0.76 0.01 -0.06 0.00 1.43 0.00 0.00 31.44 33.57 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 0.00 3.07 -1.14 -1.84 5.04 -1.26 -4.30 117.35 116.91 1crr s TYR 32 Ca 0.00 0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.64 1crr s TYR 32 Cb 0.01 -3.37 -0.03 0.00 0.35 0.00 0.00 41.96 38.91 1crr s TYR 32 CO -0.00 -0.85 0.87 -0.25 -1.34 0.00 0.00 175.55 173.98 1crr n ASP 33 N 6.32 -4.43 0.30 4.32 9.92 -1.26 -4.84 116.55 126.88 1crr n ASP 33 Ca -0.01 -0.77 0.20 0.00 -0.53 0.00 0.00 54.79 53.69 1crr n ASP 33 Cb 0.48 -4.65 1.07 0.00 -0.64 0.00 0.00 41.12 37.39 1crr n ASP 33 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1crr h PRO 34 N -1.54 0.00 0.00 -0.24 0.13 -1.99 -3.04 132.00 125.31 1crr h PRO 34 Ca -0.62 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.47 1crr h PRO 34 Cb 1.33 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 1crr h PRO 34 CO 0.48 0.00 -0.49 0.25 -0.23 0.00 0.00 178.00 178.02 1crr n THR 35 N -2.94 0.00 -4.38 1.56 -2.24 -1.26 -4.57 114.28 100.45 1crr n THR 35 Ca -0.02 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 1crr n THR 35 Cb 0.09 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 3.80 -0.07 2.28 1.01 -1.15 -3.82 121.20 123.25 1crr s ILE 36 Ca 0.07 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1crr s ILE 36 Cb 0.08 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1crr s ILE 36 CO -0.03 0.36 -0.12 -0.70 0.00 0.00 0.00 174.94 174.45 1crr s GLU 37 N -1.55 2.74 -0.10 2.79 2.12 -1.26 -4.56 118.70 118.89 1crr s GLU 37 Ca 0.18 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1crr s GLU 37 Cb -0.11 -2.49 0.10 0.00 0.26 0.00 0.00 34.13 31.89 1crr s GLU 37 CO 0.09 0.56 0.87 -0.51 -0.54 0.00 0.00 175.26 175.73 1crr s ASP 38 N -0.55 -0.47 -0.39 -1.70 1.01 -1.26 -5.07 116.67 108.24 1crr s ASP 38 Ca 0.08 0.46 -0.18 0.00 0.71 0.00 0.00 52.55 53.61 1crr s ASP 38 Cb -0.12 0.40 0.01 0.00 1.01 0.00 0.00 42.92 44.22 1crr s ASP 38 CO 0.02 -0.47 0.53 -0.94 0.21 0.00 0.00 175.17 174.51 1crr s SER 39 N -1.31 6.29 -0.22 0.27 1.04 -1.26 -4.22 113.70 114.29 1crr s SER 39 Ca -0.04 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.97 1crr s SER 39 Cb -0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 1crr s SER 39 CO 0.03 -0.57 0.51 -0.31 0.98 0.00 0.00 173.24 173.88 1crr s TYR 40 N 2.44 3.34 0.18 5.02 2.02 -0.29 -4.93 117.35 125.12 1crr s TYR 40 Ca 0.18 0.72 0.08 0.00 -0.37 0.00 0.00 57.07 57.69 1crr s TYR 40 Cb -0.15 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.69 1crr s TYR 40 CO 0.15 -0.15 -0.04 1.03 -1.57 0.00 0.00 175.55 174.96 1crr s ARG 41 N 1.83 2.24 -0.16 -0.62 0.52 -1.26 -0.30 118.95 121.20 1crr s ARG 41 Ca 0.23 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.10 1crr s ARG 41 Cb -0.15 -2.26 0.04 0.00 0.52 0.00 0.00 34.95 33.10 1crr s ARG 41 CO 0.09 0.44 0.43 0.21 0.02 0.00 0.00 175.30 176.49 1crr s LYS 42 N -2.93 0.48 -0.54 3.54 2.47 -0.98 -4.95 119.74 116.82 1crr s LYS 42 Ca 0.26 0.63 -0.12 0.00 -1.56 0.00 0.00 55.97 55.19 1crr s LYS 42 Cb -0.09 0.19 0.14 0.00 -1.46 0.00 0.00 37.83 36.61 1crr s LYS 42 CO 0.17 -0.08 0.46 -0.65 0.16 0.00 0.00 175.35 175.41 1crr s GLN 43 N 0.45 2.80 0.24 4.03 -0.21 -1.26 -1.78 119.66 123.92 1crr s GLN 43 Ca -0.02 -1.86 0.11 0.00 0.02 0.00 0.00 55.36 53.60 1crr s GLN 43 Cb -0.04 -4.11 -0.05 0.00 1.00 0.00 0.00 33.01 29.81 1crr s GLN 43 CO -0.02 -1.26 -0.19 0.14 -2.12 0.00 0.00 175.29 171.84 1crr s VAL 44 N 1.24 2.24 -0.01 1.09 -7.23 -1.25 -4.94 120.40 111.55 1crr s VAL 44 Ca 0.07 -2.25 -0.07 0.00 -1.81 0.00 0.00 61.98 57.91 1crr s VAL 44 Cb -0.25 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1crr s VAL 44 CO -0.00 -0.38 0.27 -0.69 -0.31 0.00 0.00 175.10 173.98 1crr s VAL 45 N -2.40 5.30 -0.12 1.32 1.01 -1.26 -2.05 120.40 122.20 1crr s VAL 45 Ca 0.25 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1crr s VAL 45 Cb -0.05 -3.56 -0.26 0.00 0.00 0.00 0.00 36.38 32.51 1crr s VAL 45 CO 0.12 0.42 0.50 0.40 0.00 0.00 0.00 175.10 176.53 1crr h ILE 46 N 3.22 0.99 0.00 2.22 1.08 -1.88 -3.48 117.51 119.66 1crr h ILE 46 Ca -0.51 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 61.60 1crr h ILE 46 Cb 1.20 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 1crr h ILE 46 CO 0.65 0.67 0.00 0.47 -0.69 0.00 0.00 178.15 179.25 1crr n ASP 47 N -3.96 -3.77 -1.96 1.72 8.00 -1.26 -4.98 116.55 110.34 1crr n ASP 47 Ca -0.26 0.84 0.02 0.00 0.71 0.00 0.00 54.79 56.10 1crr n ASP 47 Cb 0.88 3.54 0.04 0.00 -0.02 0.00 0.00 41.12 45.55 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 -1.25 1.55 3.58 0.44 0.00 -1.26 -5.06 105.19 103.20 1crr n GLY 48 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.57 0.33 0.70 1.61 2.12 -1.26 -5.16 118.70 115.46 1crr s GLU 49 Ca 0.32 0.62 -0.13 0.00 0.36 0.00 0.00 54.97 56.14 1crr s GLU 49 Cb 0.36 0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.93 1crr s GLU 49 CO -0.11 -0.08 1.10 0.99 -0.54 0.00 0.00 175.26 176.62 1crr s THR 50 N 1.58 3.26 -0.17 -1.70 2.01 -1.26 -2.98 115.64 116.39 1crr s THR 50 Ca -0.07 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 1crr s THR 50 Cb -0.04 -3.03 0.09 0.00 0.01 0.00 0.00 72.50 69.52 1crr s THR 50 CO -0.15 -0.43 0.29 0.00 -0.69 0.00 0.00 174.62 173.64 1crr s LEU 52 N 2.44 4.37 0.07 0.00 0.20 -0.21 -3.77 118.68 121.79 1crr s LEU 52 Ca 0.04 2.61 0.08 0.00 0.69 0.00 0.00 54.13 57.55 1crr s LEU 52 Cb -0.14 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1crr s LEU 52 CO -0.11 -0.80 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.21 1crr s LEU 53 N 0.93 2.65 -0.60 -0.68 1.43 -0.73 -2.23 118.68 119.46 1crr s LEU 53 Ca 0.68 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1crr s LEU 53 Cb -0.43 -1.53 0.19 0.00 0.03 0.00 0.00 46.19 44.45 1crr s LEU 53 CO 0.33 0.22 0.50 -0.67 0.23 0.00 0.00 176.35 176.96 1crr n ASP 54 N 1.23 2.02 -4.74 2.29 -0.08 -0.20 -2.31 116.55 114.75 1crr n ASP 54 Ca -0.16 -2.99 -0.41 0.00 -1.51 0.00 0.00 54.79 49.71 1crr n ASP 54 Cb 0.52 -0.68 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 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 -1.23 2.91 -0.11 5.18 1.09 0.59 -2.38 121.20 127.26 1crr s ILE 55 Ca 0.30 0.76 0.00 0.00 -1.10 0.00 0.00 60.65 60.61 1crr s ILE 55 Cb 0.03 -3.48 0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1crr s ILE 55 CO -0.15 0.11 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.50 1crr s LEU 56 N -0.20 1.30 -0.16 2.97 2.96 -1.15 -1.14 118.68 123.26 1crr s LEU 56 Ca 0.58 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1crr s LEU 56 Cb -0.39 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 1crr s LEU 56 CO 0.40 -0.09 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.64 1crr s ASP 57 N 1.50 4.26 -0.08 3.68 2.15 -1.26 -2.32 116.67 124.61 1crr s ASP 57 Ca 0.01 -0.30 -0.30 0.00 0.43 0.00 0.00 52.55 52.39 1crr s ASP 57 Cb -0.13 -1.68 -0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1crr s ASP 57 CO -0.06 0.11 1.10 0.42 -0.17 0.00 0.00 175.17 176.56 1crr s THR 58 N 0.69 4.54 0.16 1.71 -4.23 -1.26 -4.50 115.64 112.74 1crr s THR 58 Ca -0.04 1.83 0.03 0.00 -1.18 0.00 0.00 61.69 62.33 1crr s THR 58 Cb -0.15 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 69.50 1crr s THR 58 CO 0.02 0.01 0.11 0.00 -0.54 0.00 0.00 174.62 174.22 1crr n ALA 59 N 5.04 0.31 -2.53 3.99 0.00 -1.26 -5.03 120.51 121.03 1crr n ALA 59 Ca 0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 1crr n ALA 59 Cb 0.48 0.70 -0.01 0.00 0.00 0.00 0.00 19.45 20.62 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 0.03 -4.38 3.47 0.00 0.00 -1.25 -4.79 105.19 98.27 1crr n GLY 60 Ca 0.02 0.69 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 1crr n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1crr s GLN 61 N -1.23 3.12 0.41 1.61 -0.21 -1.26 -5.01 119.66 117.09 1crr s GLN 61 Ca -0.07 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.62 1crr s GLN 61 Cb 0.00 -4.23 -0.05 0.00 1.00 0.00 0.00 33.01 29.74 1crr s GLN 61 CO 0.69 -1.86 0.20 -1.21 -2.12 0.00 0.00 175.29 170.99 1crr s GLU 62 N 4.28 2.27 0.02 2.91 0.41 -1.26 -5.05 118.70 122.27 1crr s GLU 62 Ca 0.24 -1.79 -0.32 0.00 -0.41 0.00 0.00 54.97 52.69 1crr s GLU 62 Cb -0.16 -2.04 -0.10 0.00 -1.78 0.00 0.00 34.13 30.05 1crr s GLU 62 CO 0.11 -0.11 1.91 0.39 -0.49 0.00 0.00 175.26 177.06 1crr n GLU 63 N -1.27 2.63 -1.38 1.61 1.02 -1.26 -4.61 120.64 117.39 1crr n GLU 63 Ca -0.01 0.96 0.14 0.00 -0.02 0.00 0.00 57.16 58.24 1crr n GLU 63 Cb 0.64 -2.87 -0.08 0.00 -0.02 0.00 0.00 31.44 29.11 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 6.75 -3.71 -4.65 -0.32 9.36 -1.26 -5.01 117.16 118.32 1crr n TYR 64 Ca 0.20 2.05 -0.29 0.00 3.32 0.00 0.00 57.90 63.18 1crr n TYR 64 Cb 0.36 -3.35 -0.09 0.00 -0.63 0.00 0.00 39.34 35.64 1crr n TYR 64 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1crr s SER 65 N -6.86 3.69 0.00 2.98 0.15 -1.26 -5.05 113.70 107.35 1crr s SER 65 Ca 0.00 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.11 1crr s SER 65 Cb 0.00 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1crr s SER 65 CO 0.00 -0.72 0.00 0.00 1.20 0.00 0.00 173.24 173.72 1crr n ALA 66 N -1.07 0.00 0.11 5.45 0.00 -1.26 -4.92 120.51 118.82 1crr n ALA 66 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1crr n ALA 66 Cb 0.67 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.34 0.00 4.05 -1.98 -2.46 114.93 114.20 1crr h MET 67 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1crr h MET 67 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1crr h MET 67 CO 0.00 0.75 -0.19 -0.09 0.23 0.00 0.00 176.91 177.61 1crr h ARG 68 N 0.00 0.72 -0.47 0.39 2.43 -1.99 -1.35 114.38 114.11 1crr h ARG 68 Ca -0.01 -0.33 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 1crr h ARG 68 Cb 1.40 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 1crr h ARG 68 CO 0.10 0.93 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.99 1crr h ASP 69 N 0.50 0.86 0.19 -3.80 5.19 -1.91 -1.82 116.42 115.63 1crr h ASP 69 Ca 0.07 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 1crr h ASP 69 Cb 0.73 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1crr h ASP 69 CO 0.05 0.99 -0.13 1.56 -3.12 0.00 0.00 179.24 178.59 1crr h GLN 70 N 0.71 0.00 0.00 3.56 4.20 -1.33 -1.50 115.11 120.75 1crr h GLN 70 Ca 0.13 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 1crr h GLN 70 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1crr h GLN 70 CO 0.04 0.13 -0.87 -0.92 -0.67 0.00 0.00 178.83 176.54 1crr h TYR 71 N 0.00 0.23 0.00 2.96 5.03 -0.68 -2.50 116.97 122.01 1crr h TYR 71 Ca -0.00 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.18 1crr h TYR 71 Cb 0.26 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1crr h TYR 71 CO 0.00 0.94 0.00 0.52 -1.32 0.00 0.00 178.16 178.30 1crr h MET 72 N 0.08 0.00 0.00 1.82 2.86 -0.45 -1.01 114.93 118.24 1crr h MET 72 Ca -0.04 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 1crr h MET 72 Cb 1.49 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.13 1crr h MET 72 CO 0.13 0.00 -2.15 -2.13 1.06 0.00 0.00 176.91 173.82 1crr n ARG 73 N -3.00 0.68 -0.06 1.72 0.00 -1.09 -4.38 116.66 110.52 1crr n ARG 73 Ca -0.02 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.85 57.67 1crr n ARG 73 Cb 0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 32.46 31.03 1crr n ARG 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1crr h THR 74 N 0.00 0.00 -1.94 5.15 1.35 -0.86 -3.48 112.91 113.13 1crr h THR 74 Ca -0.22 -0.94 -0.15 0.00 -0.55 0.00 0.00 66.41 64.55 1crr h THR 74 Cb 1.49 0.00 0.08 0.00 -1.73 0.00 0.00 68.15 67.99 1crr h THR 74 CO 0.01 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 175.87 1crr n GLY 75 N 1.66 -3.35 0.74 5.82 0.00 -0.48 -5.00 105.19 104.58 1crr n GLY 75 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.25 0.00 -2.23 1.61 4.71 -1.18 -4.91 120.64 115.39 1crr n GLU 76 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.79 1crr n GLU 76 Cb 0.24 -0.24 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 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 -3.16 2.28 -0.33 0.62 0.00 -0.75 -4.19 107.32 101.80 1crr s GLY 77 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 44.72 45.83 1crr s GLY 77 CO 0.00 2.16 0.03 -1.36 0.00 0.00 0.00 173.10 173.93 1crr s PHE 78 N 0.57 3.65 -0.94 1.90 0.08 -1.16 0.88 117.98 122.97 1crr s PHE 78 Ca 0.60 -2.81 -0.16 0.00 0.12 0.00 0.00 56.93 54.68 1crr s PHE 78 Cb -0.36 -2.73 0.18 0.00 -0.57 0.00 0.00 43.02 39.54 1crr s PHE 78 CO 0.34 -0.93 1.04 -1.17 -0.10 0.00 0.00 175.22 174.40 1crr s LEU 79 N 0.96 5.72 -1.10 -0.37 2.96 -0.86 -2.43 118.68 123.56 1crr s LEU 79 Ca 0.06 -2.48 -0.22 0.00 -0.22 0.00 0.00 54.13 51.28 1crr s LEU 79 Cb -0.19 -2.32 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 1crr s LEU 79 CO -0.07 -0.81 1.77 0.00 -1.32 0.00 0.00 176.35 175.92 1crr s VAL 81 N 7.60 2.81 -0.17 0.00 1.01 -0.71 -2.24 120.40 128.71 1crr s VAL 81 Ca 0.60 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 1crr s VAL 81 Cb -0.01 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 33.04 1crr s VAL 81 CO 0.03 0.07 0.14 0.72 0.00 0.00 0.00 175.10 176.05 1crr s PHE 82 N 0.64 -0.00 0.07 5.22 -0.12 -0.96 -3.60 117.98 119.23 1crr s PHE 82 Ca 0.64 -0.03 -0.31 0.00 -0.05 0.00 0.00 56.93 57.19 1crr s PHE 82 Cb -0.41 -0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 41.37 1crr s PHE 82 CO 0.36 -0.50 1.44 0.00 -0.05 0.00 0.00 175.22 176.47 1crr s ALA 83 N 2.22 3.61 0.17 1.99 0.00 -1.26 -1.42 121.76 127.07 1crr s ALA 83 Ca 0.04 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1crr s ALA 83 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.41 1crr s ALA 83 CO -0.09 -0.80 1.40 -0.84 0.00 0.00 0.00 175.76 175.43 1crr h ILE 84 N 4.56 1.45 0.00 0.00 -0.00 -1.75 -2.93 117.51 118.85 1crr h ILE 84 Ca -0.41 -2.45 0.00 0.00 -0.00 0.00 0.00 64.86 62.01 1crr h ILE 84 Cb 1.20 2.35 0.00 0.00 -0.00 0.00 0.00 36.82 40.37 1crr h ILE 84 CO 0.89 0.72 0.00 -0.55 -0.00 0.00 0.00 178.15 179.21 1crr h ASN 85 N 0.15 0.00 0.00 2.16 -1.07 -1.82 -2.85 115.58 112.15 1crr h ASN 85 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.33 1crr h ASN 85 Cb 1.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.68 1crr h ASN 85 CO 0.13 0.00 -0.00 -1.13 0.07 0.00 0.00 177.43 176.50 1crr h ASN 86 N 0.00 -0.00 0.00 6.14 -0.73 -1.92 -3.40 115.58 115.67 1crr h ASN 86 Ca 0.00 -0.94 0.00 0.00 1.87 0.00 0.00 56.30 57.23 1crr h ASN 86 Cb 0.97 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.56 1crr h ASN 86 CO 0.00 0.97 0.00 0.41 -0.37 0.00 0.00 177.43 178.44 1crr n THR 87 N -4.62 0.00 0.23 -3.57 -1.04 -1.11 -4.68 114.28 99.49 1crr n THR 87 Ca -0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1crr n THR 87 Cb 0.45 0.00 0.77 0.00 -1.82 0.00 0.00 70.33 69.73 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 -0.66 -2.82 3.64 -1.92 -0.24 116.57 114.58 1crr h LYS 88 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1crr h LYS 88 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1crr h LYS 88 CO 0.00 0.00 0.23 0.77 -2.27 0.00 0.00 179.45 178.18 1crr h SER 89 N 0.00 0.94 -0.16 4.20 0.02 -1.83 -1.53 113.55 115.19 1crr h SER 89 Ca 0.05 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1crr h SER 89 Cb 0.22 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1crr h SER 89 CO -0.00 0.88 -0.00 0.15 -1.14 0.00 0.00 176.83 176.72 1crr h PHE 90 N 0.94 -0.01 0.00 3.45 3.04 -1.28 0.43 116.94 123.51 1crr h PHE 90 Ca 0.21 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 1crr h PHE 90 Cb 0.26 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.80 1crr h PHE 90 CO 0.02 -0.02 -0.04 0.93 -2.02 0.00 0.00 178.31 177.18 1crr h GLU 91 N 0.05 0.00 -0.14 1.11 5.08 -1.35 -0.61 114.58 118.73 1crr h GLU 91 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1crr h GLU 91 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1crr h GLU 91 CO -0.13 0.04 -0.47 0.22 -1.00 0.00 0.00 179.01 177.67 1crr h ASP 92 N 0.00 0.37 1.14 1.42 1.82 0.09 -2.69 116.42 118.58 1crr h ASP 92 Ca -0.00 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.43 1crr h ASP 92 Cb 0.08 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1crr h ASP 92 CO 0.00 0.79 -0.17 0.40 -1.61 0.00 0.00 179.24 178.66 1crr h ILE 93 N 0.28 0.38 -0.05 2.25 1.08 -0.05 -1.91 117.51 119.49 1crr h ILE 93 Ca 0.02 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 1crr h ILE 93 Cb 0.94 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1crr h ILE 93 CO 0.08 0.17 0.00 1.57 -0.69 0.00 0.00 178.15 179.28 1crr n HIS 94 N -3.26 0.06 0.00 1.37 -0.00 -1.02 -3.06 115.22 109.31 1crr n HIS 94 Ca 0.01 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1crr n HIS 94 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 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 -0.41 0.00 0.02 1.57 6.02 -1.09 -4.83 117.38 118.66 1crr n GLN 95 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1crr n GLN 95 Cb 0.05 -0.46 0.23 0.00 1.02 0.00 0.00 30.24 31.08 1crr n GLN 95 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 1crr n TYR 96 N -1.14 0.22 0.51 1.08 0.18 -0.74 -3.42 117.16 113.86 1crr n TYR 96 Ca 0.00 0.06 0.05 0.00 1.88 0.00 0.00 57.90 59.89 1crr n TYR 96 Cb 0.00 -0.43 0.18 0.00 -0.38 0.00 0.00 39.34 38.71 1crr n TYR 96 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1crr n ARG 97 N -1.75 2.31 -0.05 -3.48 0.00 -1.17 -3.71 116.66 108.81 1crr n ARG 97 Ca 0.05 -1.41 -0.05 0.00 -0.00 0.00 0.00 57.85 56.43 1crr n ARG 97 Cb 0.38 -1.54 -0.07 0.00 0.00 0.00 0.00 32.46 31.23 1crr n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1crr n GLU 98 N 0.45 2.09 0.23 -0.14 -0.58 -1.22 -4.43 120.64 117.04 1crr n GLU 98 Ca 0.13 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.96 1crr n GLU 98 Cb 0.48 -1.24 0.54 0.00 -0.57 0.00 0.00 31.44 30.65 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 0.00 0.00 -0.09 3.49 4.15 -1.70 -1.17 115.11 119.79 1crr h GLN 99 Ca -0.25 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.14 1crr h GLN 99 Cb 1.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.22 1crr h GLN 99 CO 0.00 0.23 -0.09 0.82 -1.93 0.00 0.00 178.83 177.86 1crr h ILE 100 N 0.00 1.12 -0.18 2.39 2.04 -1.78 -0.15 117.51 120.96 1crr h ILE 100 Ca -0.00 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 1crr h ILE 100 Cb 0.54 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1crr h ILE 100 CO 0.03 0.16 -0.30 0.11 0.00 0.00 0.00 178.15 178.15 1crr h LYS 101 N 0.12 0.35 0.44 2.37 1.57 -1.45 -2.51 116.57 117.47 1crr h LYS 101 Ca 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1crr h LYS 101 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1crr h LYS 101 CO 0.01 0.62 -0.21 0.00 -0.57 0.00 0.00 179.45 179.30 1crr h ARG 102 N 0.31 -0.57 0.08 3.15 3.08 -0.99 0.13 114.38 119.56 1crr h ARG 102 Ca 0.04 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1crr h ARG 102 Cb 0.69 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1crr h ARG 102 CO 0.05 -0.30 -0.16 0.28 -1.07 0.00 0.00 179.97 178.77 1crr h VAL 103 N -1.07 0.00 0.00 2.04 2.07 -1.40 -1.66 116.25 116.23 1crr h VAL 103 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1crr h VAL 103 Cb 0.54 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1crr h VAL 103 CO 0.10 0.00 -0.11 0.11 0.02 0.00 0.00 177.57 177.69 1crr h LYS 104 N -0.26 0.00 -5.76 1.57 1.79 -1.61 -3.47 116.57 108.84 1crr h LYS 104 Ca -0.01 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.11 1crr h LYS 104 Cb 0.24 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.04 1crr h LYS 104 CO -0.07 0.11 -0.77 -3.47 -1.08 0.00 0.00 179.45 174.17 1crr n ASP 105 N -3.89 -2.34 -3.65 0.86 -0.08 0.45 -4.97 116.55 102.93 1crr n ASP 105 Ca -0.02 -0.65 -0.02 0.00 -1.51 0.00 0.00 54.79 52.59 1crr n ASP 105 Cb 0.21 -4.92 -0.02 0.00 2.34 0.00 0.00 41.12 38.73 1crr n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1crr s SER 106 N -4.25 -0.01 -0.84 1.67 0.15 -1.17 -5.03 113.70 104.22 1crr s SER 106 Ca 0.07 0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.73 1crr s SER 106 Cb -0.03 0.01 0.30 0.00 -1.71 0.00 0.00 66.02 64.59 1crr s SER 106 CO 0.75 -0.01 1.25 -0.67 1.20 0.00 0.00 173.24 175.76 1crr n ASP 107 N 0.01 5.52 -2.70 5.45 2.03 -1.26 -4.69 116.55 120.91 1crr n ASP 107 Ca 0.06 -3.55 -0.06 0.00 0.52 0.00 0.00 54.79 51.76 1crr n ASP 107 Cb 0.56 -0.94 0.09 0.00 -0.72 0.00 0.00 41.12 40.12 1crr n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1crr n ASP 108 N 0.54 -0.64 -5.01 1.67 5.68 -1.26 -5.12 116.55 112.41 1crr n ASP 108 Ca 0.33 -2.45 -0.17 0.00 -0.50 0.00 0.00 54.79 52.00 1crr n ASP 108 Cb 0.35 0.42 0.01 0.00 -1.14 0.00 0.00 41.12 40.76 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 -1.05 3.07 -1.48 2.12 1.01 -1.26 -4.97 120.40 117.85 1crr s VAL 109 Ca 0.22 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1crr s VAL 109 Cb 0.42 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1crr s VAL 109 CO -0.06 -0.01 2.53 -0.81 0.00 0.00 0.00 175.10 176.75 1crr n PRO 110 N -1.85 3.71 -2.60 2.72 -0.05 -1.26 -4.95 135.00 130.72 1crr n PRO 110 Ca 0.07 -2.75 -0.40 0.00 -0.05 0.00 0.00 63.50 60.37 1crr n PRO 110 Cb 0.59 -2.89 -0.05 0.00 -0.05 0.00 0.00 33.50 31.10 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 1.41 4.71 -0.25 0.54 1.75 -1.26 -2.97 119.30 123.23 1crr s MET 111 Ca 0.57 1.64 -0.04 0.00 -1.25 0.00 0.00 55.69 56.61 1crr s MET 111 Cb 0.16 -3.26 0.13 0.00 2.84 0.00 0.00 34.83 34.71 1crr s MET 111 CO -0.07 0.29 0.46 0.08 -0.65 0.00 0.00 175.02 175.13 1crr s VAL 112 N -0.85 -0.73 -0.20 10.11 1.01 -1.02 -4.19 120.40 124.53 1crr s VAL 112 Ca 0.45 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1crr s VAL 112 Cb -0.28 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1crr s VAL 112 CO 0.35 -0.04 0.81 -0.22 0.00 0.00 0.00 175.10 176.00 1crr s LEU 113 N 2.66 4.14 -0.28 3.92 0.20 -1.03 -2.52 118.68 125.77 1crr s LEU 113 Ca 0.09 1.09 0.02 0.00 0.69 0.00 0.00 54.13 56.01 1crr s LEU 113 Cb -0.14 -3.18 0.06 0.00 -0.43 0.00 0.00 46.19 42.50 1crr s LEU 113 CO -0.16 -0.42 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.72 1crr s VAL 114 N 2.36 2.44 -0.31 1.68 1.01 -0.95 -2.58 120.40 124.05 1crr s VAL 114 Ca 0.36 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 1crr s VAL 114 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1crr s VAL 114 CO 0.10 -0.10 1.55 -0.83 0.00 0.00 0.00 175.10 175.83 1crr s GLY 115 N 1.15 1.11 0.39 4.51 0.00 -0.69 -2.27 107.32 111.53 1crr s GLY 115 Ca -0.06 0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.91 1crr s GLY 115 CO -0.04 2.93 0.55 0.21 0.00 0.00 0.00 173.10 176.75 1crr s ASN 116 N 4.35 5.80 -0.29 1.64 3.04 -0.51 -2.07 114.94 126.90 1crr s ASN 116 Ca 0.68 -0.21 -0.00 0.00 0.04 0.00 0.00 52.86 53.37 1crr s ASN 116 Cb -0.20 -1.04 0.00 0.00 -1.54 0.00 0.00 41.25 38.47 1crr s ASN 116 CO 0.30 -0.62 0.24 1.17 -3.04 0.00 0.00 177.10 175.15 1crr n LYS 117 N -1.81 -1.62 -0.98 0.43 3.00 -0.66 -2.72 118.16 113.81 1crr n LYS 117 Ca 0.03 0.20 -0.11 0.00 -0.00 0.00 0.00 58.31 58.43 1crr n LYS 117 Cb 0.58 -3.29 0.21 0.00 0.00 0.00 0.00 35.03 32.53 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1crr n ASP 119 N -1.00 5.52 -1.63 0.00 5.75 -1.26 -4.93 116.55 119.00 1crr n ASP 119 Ca 0.44 -3.75 -0.04 0.00 -0.01 0.00 0.00 54.79 51.42 1crr n ASP 119 Cb 1.32 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.53 0.00 -0.11 -2.12 -0.00 -1.26 -5.05 117.00 107.93 1crr n LEU 120 Ca 0.44 -0.90 -0.19 0.00 -0.00 0.00 0.00 56.01 55.36 1crr n LEU 120 Cb 0.59 0.91 -0.09 0.00 -0.00 0.00 0.00 43.42 44.83 1crr n LEU 120 CO 0.40 -0.23 -1.21 0.00 -0.00 0.00 0.00 177.39 176.35 1crr n ALA 121 N -2.25 1.57 -1.62 1.47 0.00 -1.26 -4.87 120.51 113.55 1crr n ALA 121 Ca -0.05 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.14 1crr n ALA 121 Cb 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1crr n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1crr s ALA 122 N -2.40 2.03 -0.05 0.00 0.00 -1.26 -4.93 121.76 115.14 1crr s ALA 122 Ca -0.29 0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1crr s ALA 122 Cb 0.09 -4.25 -0.01 0.00 0.00 0.00 0.00 23.12 18.95 1crr s ALA 122 CO 0.43 -3.88 -0.24 0.50 0.00 0.00 0.00 175.76 172.57 1crr s ARG 123 N 7.53 2.49 -0.15 0.00 3.52 -1.26 -4.65 118.95 126.43 1crr s ARG 123 Ca 0.96 -0.89 0.09 0.00 -0.13 0.00 0.00 55.73 55.76 1crr s ARG 123 Cb -0.22 -2.16 -0.16 0.00 -1.56 0.00 0.00 34.95 30.85 1crr s ARG 123 CO 0.29 0.42 -0.02 0.25 -0.81 0.00 0.00 175.30 175.43 1crr n THR 124 N 2.83 1.00 -3.40 4.11 -2.24 -1.23 -4.96 114.28 110.39 1crr n THR 124 Ca -0.17 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.69 1crr n THR 124 Cb 0.52 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.35 4.90 -0.43 2.28 1.01 -1.08 -4.97 120.40 119.76 1crr s VAL 125 Ca -0.12 0.94 0.02 0.00 0.00 0.00 0.00 61.98 62.81 1crr s VAL 125 Cb 0.05 -3.78 0.52 0.00 0.00 0.00 0.00 36.38 33.17 1crr s VAL 125 CO 0.53 0.48 1.84 -0.62 0.00 0.00 0.00 175.10 177.34 1crr n GLU 126 N 1.52 2.15 -2.08 2.72 -0.58 -1.26 -4.85 120.64 118.26 1crr n GLU 126 Ca -0.11 -2.61 -0.10 0.00 -0.42 0.00 0.00 57.16 53.93 1crr n GLU 126 Cb 0.52 -2.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 1crr n GLU 126 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1crr n SER 127 N -0.81 -3.05 0.00 1.62 7.64 -1.26 -4.67 113.62 113.09 1crr n SER 127 Ca 0.51 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1crr n SER 127 Cb 1.28 -2.72 0.00 0.00 -1.01 0.00 0.00 64.21 61.76 1crr n SER 127 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1crr n ARG 128 N -2.39 0.00 -0.33 1.43 0.63 -1.26 -4.49 116.66 110.25 1crr n ARG 128 Ca -0.11 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.79 1crr n ARG 128 Cb 0.50 -0.51 0.10 0.00 0.45 0.00 0.00 32.46 33.00 1crr n ARG 128 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1crr h GLN 129 N 0.00 1.25 0.00 -0.14 4.20 -1.97 -0.86 115.11 117.59 1crr h GLN 129 Ca 0.00 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1crr h GLN 129 Cb 0.85 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1crr h GLN 129 CO 0.00 0.90 -0.28 0.00 -0.67 0.00 0.00 178.83 178.78 1crr h ALA 130 N 1.29 1.23 0.00 3.87 0.00 -1.95 -2.16 119.26 121.55 1crr h ALA 130 Ca 0.32 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1crr h ALA 130 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1crr h ALA 130 CO -0.05 0.35 -0.68 1.96 0.00 0.00 0.00 179.25 180.83 1crr h GLN 131 N 0.00 0.00 0.00 0.00 4.20 -1.42 -2.30 115.11 115.59 1crr h GLN 131 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1crr h GLN 131 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1crr h GLN 131 CO 0.04 0.68 -0.42 -0.44 -0.67 0.00 0.00 178.83 178.01 1crr h ASP 132 N 0.00 0.00 0.16 1.46 3.32 -0.71 -2.59 116.42 118.07 1crr h ASP 132 Ca -0.01 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 1crr h ASP 132 Cb 1.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1crr h ASP 132 CO 0.09 0.23 -1.97 -0.11 -1.72 0.00 0.00 179.24 175.77 1crr n LEU 133 N -3.08 2.47 -0.05 1.55 -0.00 -0.87 -3.53 117.00 113.50 1crr n LEU 133 Ca 0.02 0.23 -0.14 0.00 -0.00 0.00 0.00 56.01 56.12 1crr n LEU 133 Cb 0.63 -1.00 -0.12 0.00 -0.00 0.00 0.00 43.42 42.93 1crr n LEU 133 CO 0.38 0.81 0.50 0.00 -0.00 0.00 0.00 177.39 179.08 1crr h ALA 134 N 0.16 -0.00 -0.27 1.96 0.00 -1.54 -3.12 119.26 116.45 1crr h ALA 134 Ca -0.41 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.17 1crr h ALA 134 Cb 2.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1crr h ALA 134 CO 0.09 -0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.42 1crr h ARG 135 N -0.78 0.12 -0.03 0.00 3.08 -1.62 -1.85 114.38 113.31 1crr h ARG 135 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1crr h ARG 135 Cb 0.77 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1crr h ARG 135 CO 0.00 0.08 0.01 1.03 -1.07 0.00 0.00 179.97 180.01 1crr h SER 136 N 0.12 0.05 0.66 7.04 0.87 -1.60 -2.44 113.55 118.25 1crr h SER 136 Ca 0.12 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1crr h SER 136 Cb 0.33 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1crr h SER 136 CO -0.02 0.29 0.00 1.88 -0.53 0.00 0.00 176.83 178.46 1crr h TYR 137 N -0.19 0.00 -0.16 2.24 0.05 -1.31 -3.46 116.97 114.14 1crr h TYR 137 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1crr h TYR 137 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1crr h TYR 137 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 1crr n GLY 138 N -0.28 0.83 3.38 3.88 0.00 -0.76 -5.07 105.19 107.17 1crr n GLY 138 Ca 0.01 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.16 2.38 0.76 -0.61 -4.36 -0.98 -5.03 121.20 111.20 1crr s ILE 139 Ca 0.00 -1.19 -0.14 0.00 -0.26 0.00 0.00 60.65 59.06 1crr s ILE 139 Cb 0.00 -1.92 0.06 0.00 1.25 0.00 0.00 42.46 41.85 1crr s ILE 139 CO 0.00 0.45 1.21 -2.84 0.24 0.00 0.00 174.94 174.00 1crr s PRO 140 N -1.05 1.94 -0.07 0.37 0.02 -1.26 -4.16 135.00 130.78 1crr s PRO 140 Ca 0.12 1.79 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1crr s PRO 140 Cb -0.10 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1crr s PRO 140 CO 0.02 -2.00 -0.14 -0.47 -0.33 0.00 0.00 177.00 174.08 1crr s TYR 141 N -2.01 1.65 0.35 6.54 5.04 -1.26 -2.46 117.35 125.20 1crr s TYR 141 Ca 0.75 -0.64 0.03 0.00 -2.44 0.00 0.00 57.07 54.77 1crr s TYR 141 Cb -0.30 -1.19 -0.04 0.00 0.35 0.00 0.00 41.96 40.79 1crr s TYR 141 CO 0.47 -0.32 0.12 0.42 -1.34 0.00 0.00 175.55 174.90 1crr s ILE 142 N 0.68 0.65 0.03 3.14 1.01 -1.07 -5.04 121.20 120.61 1crr s ILE 142 Ca -0.14 -2.00 0.02 0.00 0.00 0.00 0.00 60.65 58.53 1crr s ILE 142 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1crr s ILE 142 CO 0.04 0.00 -0.07 -0.70 0.00 0.00 0.00 174.94 174.21 1crr s GLU 143 N -3.79 0.50 0.23 2.79 2.12 -1.26 -1.70 118.70 117.59 1crr s GLU 143 Ca 0.30 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.84 1crr s GLU 143 Cb 0.05 -0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.14 1crr s GLU 143 CO 0.16 0.07 0.79 -0.08 -0.54 0.00 0.00 175.26 175.66 1crr s THR 144 N -0.95 0.00 0.33 -1.70 -1.32 -0.88 -4.53 115.64 106.59 1crr s THR 144 Ca -0.06 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.62 1crr s THR 144 Cb -0.07 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.95 1crr s THR 144 CO 0.00 0.00 0.18 -0.24 -2.21 0.00 0.00 174.62 172.36 1crr n SER 145 N -0.46 0.37 0.01 8.08 2.88 -0.45 -1.65 113.62 122.41 1crr n SER 145 Ca -0.05 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1crr n SER 145 Cb 0.60 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.23 1crr n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1crr n ALA 146 N -1.14 3.00 0.30 -1.46 0.00 -1.26 -4.07 120.51 115.88 1crr n ALA 146 Ca -0.12 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.51 1crr n ALA 146 Cb 0.54 0.24 1.04 0.00 0.00 0.00 0.00 19.45 21.27 1crr n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1crr h LYS 147 N 0.00 0.00 0.00 0.00 2.10 -1.97 -2.24 116.57 114.46 1crr h LYS 147 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1crr h LYS 147 Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1crr h LYS 147 CO 0.00 0.00 -1.35 0.25 -2.00 0.00 0.00 179.45 176.35 1crr n THR 148 N -2.88 0.07 -2.87 0.07 -2.24 -1.26 -5.03 114.28 100.13 1crr n THR 148 Ca -0.03 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1crr n THR 148 Cb 0.11 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1crr n ARG 149 N -1.82 -3.00 -4.01 -0.78 1.74 -0.85 -5.01 116.66 102.92 1crr n ARG 149 Ca -0.03 0.62 -0.31 0.00 -0.77 0.00 0.00 57.85 57.36 1crr n ARG 149 Cb 0.27 -4.75 -0.15 0.00 -1.02 0.00 0.00 32.46 26.81 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 -4.43 2.00 0.00 5.56 2.00 -1.26 -4.65 119.66 118.88 1crr s GLN 150 Ca 0.18 -1.16 0.00 0.00 -2.00 0.00 0.00 55.36 52.38 1crr s GLN 150 Cb -0.02 -2.73 0.00 0.00 0.80 0.00 0.00 33.01 31.05 1crr s GLN 150 CO 0.53 -0.56 0.00 0.41 -0.50 0.00 0.00 175.29 175.16 1crr n GLY 151 N 4.55 3.44 0.41 2.59 0.00 -1.26 -1.34 105.19 113.58 1crr n GLY 151 Ca -0.13 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 0.67 -0.31 1.61 2.07 -1.82 0.06 116.25 118.54 1crr h VAL 152 Ca 0.00 -0.08 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1crr h VAL 152 Cb 0.00 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1crr h VAL 152 CO 0.00 0.04 -0.44 -0.33 0.02 0.00 0.00 177.57 176.87 1crr h GLU 153 N 0.25 0.79 0.00 1.57 5.08 -1.91 -2.81 114.58 117.54 1crr h GLU 153 Ca 0.41 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1crr h GLU 153 Cb 1.23 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1crr h GLU 153 CO -0.10 1.06 -0.45 0.22 -1.00 0.00 0.00 179.01 178.75 1crr h ASP 154 N 0.63 0.00 0.35 1.42 3.58 -1.38 -2.32 116.42 118.70 1crr h ASP 154 Ca 0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1crr h ASP 154 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1crr h ASP 154 CO 0.10 0.45 -0.17 0.00 -2.88 0.00 0.00 179.24 176.74 1crr h ALA 155 N 1.55 -0.47 -0.44 -0.78 0.00 -1.28 -2.76 119.26 115.08 1crr h ALA 155 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1crr h ALA 155 Cb 0.97 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1crr h ALA 155 CO 0.06 -0.44 0.29 0.74 0.00 0.00 0.00 179.25 179.90 1crr h PHE 156 N -1.11 0.55 -0.95 0.00 -1.00 -1.59 -2.71 116.94 110.12 1crr h PHE 156 Ca -0.05 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.77 1crr h PHE 156 Cb 0.36 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1crr h PHE 156 CO 0.00 0.35 0.62 1.88 -1.61 0.00 0.00 178.31 179.55 1crr h TYR 157 N 0.59 1.17 -0.79 -0.55 -1.99 -1.54 -2.22 116.97 111.64 1crr h TYR 157 Ca 0.16 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1crr h TYR 157 Cb -0.07 -0.39 -0.04 0.00 2.00 0.00 0.00 36.73 38.23 1crr h TYR 157 CO -0.05 0.71 0.34 1.15 -0.00 0.00 0.00 178.16 180.31 1crr h THR 158 N 1.23 1.25 0.32 -2.88 2.02 -1.18 -1.47 112.91 112.22 1crr h THR 158 Ca 0.36 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1crr h THR 158 Cb -0.06 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1crr h THR 158 CO -0.10 0.32 -0.16 0.25 0.37 0.00 0.00 175.52 176.21 1crr h LEU 159 N 1.14 -0.37 -2.66 2.58 7.12 -1.22 -2.60 115.31 119.30 1crr h LEU 159 Ca 0.27 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1crr h LEU 159 Cb 0.17 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1crr h LEU 159 CO -0.03 -0.04 0.00 0.58 -0.13 0.00 0.00 178.44 178.83 1crr h VAL 160 N -0.73 0.33 -0.06 1.05 2.07 -1.40 -1.06 116.25 116.45 1crr h VAL 160 Ca -0.04 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1crr h VAL 160 Cb 0.49 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1crr h VAL 160 CO 0.07 0.00 -0.72 -0.09 0.02 0.00 0.00 177.57 176.85 1crr h ARG 161 N 0.00 0.32 -0.01 1.57 9.65 -0.97 -2.60 114.38 122.35 1crr h ARG 161 Ca 0.00 -0.27 -0.12 0.00 -1.10 0.00 0.00 59.98 58.49 1crr h ARG 161 Cb 0.01 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1crr h ARG 161 CO -0.00 0.91 -0.48 0.93 2.80 0.00 0.00 179.97 184.13 1crr h GLU 162 N 0.22 0.34 -0.45 0.20 4.39 -0.83 -3.24 114.58 115.20 1crr h GLU 162 Ca -0.03 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1crr h GLU 162 Cb 1.28 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1crr h GLU 162 CO 0.12 1.04 0.24 0.82 -1.16 0.00 0.00 179.01 180.07 1crr h ILE 163 N -0.23 1.14 -0.90 3.13 2.04 -1.51 0.67 117.51 121.86 1crr h ILE 163 Ca -0.06 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1crr h ILE 163 Cb 1.20 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 1crr h ILE 163 CO 0.09 0.16 0.58 0.03 0.00 0.00 0.00 178.15 179.02 1crr h ARG 164 N 0.63 0.98 0.00 2.37 3.08 -1.49 -3.34 114.38 116.61 1crr h ARG 164 Ca 0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1crr h ARG 164 Cb 0.03 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1crr h ARG 164 CO -0.03 0.65 0.00 0.94 -1.07 0.00 0.00 179.97 180.46 1crr n GLN 165 N -4.49 0.00 -0.47 0.04 7.27 -0.76 -5.13 117.38 113.84 1crr n GLN 165 Ca 0.14 0.06 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1crr n GLN 165 Cb 0.21 -0.34 0.00 0.00 2.41 0.00 0.00 30.24 32.52 1crr n GLN 165 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71