#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 2.65 -0.07 2.03 2.01 -1.25 -4.76 115.64 116.26 1crr s THR 2 Ca 0.00 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1crr s THR 2 Cb 0.00 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 1crr s THR 2 CO 0.00 -0.21 -0.21 -1.61 -0.69 0.00 0.00 174.62 171.90 1crr s GLU 3 N -4.23 2.74 0.05 4.92 2.02 -1.26 -2.05 118.70 120.89 1crr s GLU 3 Ca 0.69 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 1crr s GLU 3 Cb -0.24 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1crr s GLU 3 CO 0.48 0.37 -0.01 0.71 0.02 0.00 0.00 175.26 176.83 1crr s TYR 4 N -0.12 0.44 -0.07 1.61 2.02 -0.93 -5.00 117.35 115.30 1crr s TYR 4 Ca -0.04 -0.92 0.04 0.00 -0.37 0.00 0.00 57.07 55.78 1crr s TYR 4 Cb -0.14 -0.33 -0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1crr s TYR 4 CO 0.04 -0.35 -0.21 0.15 -1.57 0.00 0.00 175.55 173.61 1crr s LYS 5 N -3.41 2.43 -1.14 -0.62 1.02 -1.26 -1.92 119.74 114.85 1crr s LYS 5 Ca 0.02 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.18 1crr s LYS 5 Cb 0.04 -1.95 0.26 0.00 -0.52 0.00 0.00 37.83 35.67 1crr s LYS 5 CO -0.08 0.20 1.28 1.28 -0.92 0.00 0.00 175.35 177.11 1crr n LEU 6 N 3.39 5.70 -4.56 3.17 4.77 -1.06 -1.97 117.00 126.45 1crr n LEU 6 Ca -0.19 -4.96 -0.17 0.00 -0.03 0.00 0.00 56.01 50.66 1crr n LEU 6 Cb 0.53 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.09 1crr n LEU 6 CO 0.26 1.31 1.35 -0.69 -1.33 0.00 0.00 177.39 178.29 1crr s VAL 7 N -1.01 3.00 0.24 4.08 1.01 0.16 -2.74 120.40 125.14 1crr s VAL 7 Ca 0.33 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1crr s VAL 7 Cb -0.05 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 1crr s VAL 7 CO -0.03 -0.01 0.69 -0.69 0.00 0.00 0.00 175.10 175.07 1crr s VAL 8 N 14.45 4.66 -0.26 2.92 1.01 -1.04 -2.30 120.40 139.85 1crr s VAL 8 Ca 0.94 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.86 1crr s VAL 8 Cb -0.14 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1crr s VAL 8 CO 0.11 0.09 0.62 0.68 0.00 0.00 0.00 175.10 176.60 1crr s VAL 9 N -1.66 -0.18 0.00 2.92 -7.23 -1.14 -4.52 120.40 108.59 1crr s VAL 9 Ca 0.46 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1crr s VAL 9 Cb -0.14 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1crr s VAL 9 CO 0.20 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 1crr n GLY 10 N 4.53 2.26 3.46 2.32 0.00 -1.26 -1.31 105.19 115.19 1crr n GLY 10 Ca -0.19 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.00 2.60 -0.91 4.61 0.00 -1.23 -4.93 121.76 120.90 1crr s ALA 11 Ca 0.00 -1.51 -0.24 0.00 0.00 0.00 0.00 51.96 50.21 1crr s ALA 11 Cb 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1crr s ALA 11 CO 0.00 0.50 1.69 0.20 0.00 0.00 0.00 175.76 178.15 1crr s GLY 12 N -2.44 0.66 0.00 0.00 0.00 -1.26 -2.43 107.32 101.85 1crr s GLY 12 Ca 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1crr s GLY 12 CO 0.10 3.10 0.00 0.61 0.00 0.00 0.00 173.10 176.91 1crr n GLY 13 N 6.64 0.76 0.35 0.20 0.00 -1.26 -5.00 105.19 106.89 1crr n GLY 13 Ca 0.33 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.86 -3.46 116.25 112.13 1crr h VAL 14 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1crr h VAL 14 Cb 0.00 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.30 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 1.99 0.13 5.19 0.00 -1.26 -4.27 105.19 105.53 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 0.07 0.00 0.00 0.00 173.32 173.39 1crr h LYS 16 N 0.00 0.17 0.28 1.61 2.10 -1.89 -2.40 116.57 116.44 1crr h LYS 16 Ca 0.00 -0.18 -0.01 0.00 -2.00 0.00 0.00 60.65 58.45 1crr h LYS 16 Cb 0.00 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1crr h LYS 16 CO 0.00 0.92 -0.13 0.77 -2.00 0.00 0.00 179.45 179.01 1crr h SER 17 N 0.10 -0.32 -0.54 7.07 0.02 -1.96 -2.28 113.55 115.64 1crr h SER 17 Ca -0.04 -0.17 0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1crr h SER 17 Cb 1.47 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.07 1crr h SER 17 CO 0.13 0.17 0.46 0.00 -1.14 0.00 0.00 176.83 176.45 1crr h ALA 18 N -0.69 2.38 -0.22 3.77 0.00 -1.89 0.27 119.26 122.88 1crr h ALA 18 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1crr h ALA 18 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1crr h ALA 18 CO 0.06 -0.74 -0.21 -0.07 0.00 0.00 0.00 179.25 178.30 1crr h LEU 19 N 0.00 0.56 0.15 0.00 3.38 -1.32 -1.51 115.31 116.56 1crr h LEU 19 Ca 0.26 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1crr h LEU 19 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1crr h LEU 19 CO -0.00 0.91 -0.07 0.74 0.09 0.00 0.00 178.44 180.11 1crr h THR 20 N 0.21 0.00 -1.01 0.22 2.02 0.08 -2.42 112.91 112.02 1crr h THR 20 Ca 0.04 -0.04 0.26 0.00 0.77 0.00 0.00 66.41 67.44 1crr h THR 20 Cb 0.75 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1crr h THR 20 CO 0.05 0.00 0.68 0.40 0.37 0.00 0.00 175.52 177.02 1crr h ILE 21 N -0.24 0.54 -0.30 3.11 5.03 -1.39 0.15 117.51 124.41 1crr h ILE 21 Ca -0.02 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 1crr h ILE 21 Cb 0.15 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.18 1crr h ILE 21 CO 0.03 0.05 0.14 -0.61 -0.68 0.00 0.00 178.15 177.09 1crr h GLN 22 N 0.27 0.44 0.00 2.37 -0.00 -1.21 0.33 115.11 117.31 1crr h GLN 22 Ca 0.53 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 59.09 1crr h GLN 22 Cb 1.59 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 28.99 1crr h GLN 22 CO -0.17 0.42 -0.15 1.25 0.00 0.00 0.00 178.83 180.18 1crr h LEU 23 N 0.36 0.00 0.00 -2.39 5.85 -0.23 -0.84 115.31 118.06 1crr h LEU 23 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1crr h LEU 23 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1crr h LEU 23 CO -0.01 0.15 0.00 -0.38 -0.34 0.00 0.00 178.44 177.85 1crr n ILE 24 N -3.63 0.00 0.34 4.05 -0.00 -0.61 -4.55 119.36 114.95 1crr n ILE 24 Ca -0.02 0.00 0.22 0.00 -0.00 0.00 0.00 62.75 62.95 1crr n ILE 24 Cb 0.27 -0.60 1.17 0.00 -0.00 0.00 0.00 39.64 40.49 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 -2.31 0.38 1.08 -0.55 -3.46 115.11 110.25 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 0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1crr h GLN 25 CO 0.00 0.00 -0.23 -1.71 -0.95 0.00 0.00 178.83 175.94 1crr n ASN 26 N -3.08 -3.37 -3.71 1.46 4.05 -0.32 -5.01 115.26 105.27 1crr n ASN 26 Ca -0.03 -0.15 -0.24 0.00 0.45 0.00 0.00 54.58 54.62 1crr n ASN 26 Cb 0.11 -2.11 -0.08 0.00 1.23 0.00 0.00 39.78 38.93 1crr n ASN 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1crr n HIS 27 N -3.55 -0.22 -3.89 1.20 1.44 -1.25 -5.02 115.22 103.93 1crr n HIS 27 Ca -0.02 -2.78 -0.30 0.00 -2.01 0.00 0.00 57.72 52.60 1crr n HIS 27 Cb 0.53 0.11 -0.15 0.00 0.12 0.00 0.00 29.99 30.60 1crr n HIS 27 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1crr s PHE 28 N -3.24 2.81 -0.01 -1.40 5.36 -1.26 -3.96 117.98 116.28 1crr s PHE 28 Ca 0.29 -2.42 -0.30 0.00 -0.96 0.00 0.00 56.93 53.54 1crr s PHE 28 Cb 0.01 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1crr s PHE 28 CO 0.20 -0.92 1.08 0.14 -1.46 0.00 0.00 175.22 174.27 1crr s VAL 29 N 1.23 4.52 -0.30 3.12 -7.23 -1.26 -4.93 120.40 115.55 1crr s VAL 29 Ca 0.10 1.81 0.08 0.00 -1.81 0.00 0.00 61.98 62.17 1crr s VAL 29 Cb -0.18 -4.16 0.50 0.00 0.56 0.00 0.00 36.38 33.10 1crr s VAL 29 CO -0.16 0.10 1.45 -0.67 -0.31 0.00 0.00 175.10 175.51 1crr n ASP 30 N 4.28 2.60 -2.37 4.85 -0.08 -1.26 -4.65 116.55 119.92 1crr n ASP 30 Ca 0.08 -3.81 -0.03 0.00 -1.51 0.00 0.00 54.79 49.53 1crr n ASP 30 Cb 0.49 -0.63 -0.00 0.00 2.34 0.00 0.00 41.12 43.31 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1crr n GLU 31 N -1.11 0.21 -0.97 -0.67 0.28 -1.26 -5.16 120.64 111.96 1crr n GLU 31 Ca 0.34 -0.56 -0.29 0.00 -0.16 0.00 0.00 57.16 56.48 1crr n GLU 31 Cb 1.01 0.02 0.23 0.00 1.43 0.00 0.00 31.44 34.13 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 0.03 0.87 -0.23 -1.84 5.04 -1.26 -5.04 117.35 114.93 1crr s TYR 32 Ca 0.03 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1crr s TYR 32 Cb 0.07 -3.30 0.06 0.00 0.35 0.00 0.00 41.96 39.13 1crr s TYR 32 CO -0.02 -3.76 -0.06 -0.51 -1.34 0.00 0.00 175.55 169.86 1crr s ASP 33 N -3.56 3.74 0.63 4.32 1.11 -1.26 -4.98 116.67 116.67 1crr s ASP 33 Ca 0.69 -1.11 0.41 0.00 0.18 0.00 0.00 52.55 52.72 1crr s ASP 33 Cb -0.14 -1.18 2.14 0.00 1.07 0.00 0.00 42.92 44.80 1crr s ASP 33 CO 0.57 -0.22 2.27 1.55 1.18 0.00 0.00 175.17 180.53 1crr h PRO 34 N 7.96 0.00 -0.27 8.23 0.13 -1.99 -2.45 132.00 143.61 1crr h PRO 34 Ca -0.20 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1crr h PRO 34 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1crr h PRO 34 CO 0.42 0.01 0.22 1.79 -0.23 0.00 0.00 178.00 180.20 1crr h THR 35 N 0.00 0.72 -3.33 1.56 1.35 -1.93 -3.24 112.91 108.03 1crr h THR 35 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.32 1crr h THR 35 Cb 0.13 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1crr h THR 35 CO 0.00 0.00 0.45 -0.63 -0.25 0.00 0.00 175.52 175.09 1crr s ILE 36 N -4.91 4.72 -0.39 6.82 1.01 -0.92 -4.62 121.20 122.90 1crr s ILE 36 Ca -0.05 1.96 0.01 0.00 0.00 0.00 0.00 60.65 62.57 1crr s ILE 36 Cb 0.17 -4.26 0.11 0.00 0.01 0.00 0.00 42.46 38.50 1crr s ILE 36 CO 0.66 0.11 0.15 -0.70 0.00 0.00 0.00 174.94 175.15 1crr s GLU 37 N 1.30 1.78 -0.20 2.79 2.12 -1.26 -4.71 118.70 120.52 1crr s GLU 37 Ca 0.52 -1.93 -0.11 0.00 0.36 0.00 0.00 54.97 53.81 1crr s GLU 37 Cb -0.22 -3.40 0.07 0.00 0.26 0.00 0.00 34.13 30.84 1crr s GLU 37 CO 0.26 -1.02 0.48 -0.51 -0.54 0.00 0.00 175.26 173.93 1crr s ASP 38 N 1.20 -0.62 0.44 -1.70 1.01 -1.26 -5.04 116.67 110.71 1crr s ASP 38 Ca 0.11 1.05 -0.24 0.00 0.71 0.00 0.00 52.55 54.18 1crr s ASP 38 Cb -0.21 0.95 -0.08 0.00 1.01 0.00 0.00 42.92 44.59 1crr s ASP 38 CO -0.06 -0.21 1.18 -0.94 0.21 0.00 0.00 175.17 175.36 1crr s SER 39 N 1.51 6.26 -0.15 0.27 1.04 -1.26 -4.72 113.70 116.65 1crr s SER 39 Ca -0.09 2.35 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 1crr s SER 39 Cb -0.08 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 1crr s SER 39 CO -0.15 -0.86 0.24 -0.31 0.98 0.00 0.00 173.24 173.15 1crr s TYR 40 N -1.48 3.49 0.05 5.02 2.02 -0.85 -4.97 117.35 120.64 1crr s TYR 40 Ca 0.61 0.56 0.06 0.00 -0.37 0.00 0.00 57.07 57.94 1crr s TYR 40 Cb -0.30 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 38.99 1crr s TYR 40 CO 0.37 0.36 -0.13 1.03 -1.57 0.00 0.00 175.55 175.61 1crr s ARG 41 N 0.08 2.20 -0.23 -0.62 0.52 -1.26 -1.02 118.95 118.63 1crr s ARG 41 Ca 0.15 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.13 1crr s ARG 41 Cb -0.13 -2.29 0.16 0.00 0.52 0.00 0.00 34.95 33.21 1crr s ARG 41 CO 0.03 0.55 1.19 0.21 0.02 0.00 0.00 175.30 177.30 1crr s LYS 42 N -1.62 0.31 -0.03 3.54 2.36 -1.26 -5.00 119.74 118.05 1crr s LYS 42 Ca 0.17 0.08 0.07 0.00 -2.55 0.00 0.00 55.97 53.73 1crr s LYS 42 Cb -0.11 0.15 -0.01 0.00 -1.05 0.00 0.00 37.83 36.81 1crr s LYS 42 CO 0.08 -0.10 -0.22 1.14 1.55 0.00 0.00 175.35 177.80 1crr s GLN 43 N -1.06 1.95 0.21 4.03 -2.07 -1.26 -2.82 119.66 118.63 1crr s GLN 43 Ca 0.04 -0.80 -0.02 0.00 -1.82 0.00 0.00 55.36 52.76 1crr s GLN 43 Cb -0.01 -1.81 -0.03 0.00 -1.09 0.00 0.00 33.01 30.07 1crr s GLN 43 CO -0.03 0.44 0.18 0.14 -1.32 0.00 0.00 175.29 174.70 1crr s VAL 44 N -0.40 0.00 -0.18 3.63 -7.23 -1.26 -5.02 120.40 109.93 1crr s VAL 44 Ca 0.05 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1crr s VAL 44 Cb -0.10 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1crr s VAL 44 CO 0.00 0.00 0.03 -0.69 -0.31 0.00 0.00 175.10 174.14 1crr s VAL 45 N -4.09 4.46 0.00 1.32 1.01 -1.26 -2.43 120.40 119.41 1crr s VAL 45 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1crr s VAL 45 Cb 0.06 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1crr s VAL 45 CO 0.13 0.45 0.39 -0.38 0.00 0.00 0.00 175.10 175.69 1crr n ILE 46 N 3.73 0.00 -2.18 2.22 2.08 -1.08 -4.86 119.36 119.26 1crr n ILE 46 Ca -0.17 0.87 -0.04 0.00 0.56 0.00 0.00 62.75 63.98 1crr n ILE 46 Cb 0.52 -1.83 0.01 0.00 -0.75 0.00 0.00 39.64 37.59 1crr n ILE 46 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1crr n ASP 47 N -1.90 -0.88 0.00 4.38 8.00 -1.26 -4.98 116.55 119.92 1crr n ASP 47 Ca 0.00 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1crr n ASP 47 Cb 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.48 0.73 3.18 0.44 0.00 -1.26 -5.15 105.19 102.66 1crr n GLY 48 Ca -0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.01 0.02 1.61 2.56 -1.26 -5.15 118.70 117.48 1crr s GLU 49 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 54.97 53.39 1crr s GLU 49 Cb 0.00 0.09 -0.05 0.00 2.00 0.00 0.00 34.13 36.17 1crr s GLU 49 CO 0.00 -0.24 0.34 0.99 -0.56 0.00 0.00 175.26 175.79 1crr s THR 50 N -3.94 5.18 -0.06 -1.70 2.01 -1.26 -2.65 115.64 113.22 1crr s THR 50 Ca 0.25 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 1crr s THR 50 Cb 0.07 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1crr s THR 50 CO 0.03 0.42 0.02 0.00 -0.69 0.00 0.00 174.62 174.40 1crr s LEU 52 N 1.98 4.36 -0.58 0.00 2.96 -0.87 -4.00 118.68 122.52 1crr s LEU 52 Ca 0.04 2.44 -0.03 0.00 -0.22 0.00 0.00 54.13 56.36 1crr s LEU 52 Cb -0.12 -3.57 0.15 0.00 0.50 0.00 0.00 46.19 43.15 1crr s LEU 52 CO -0.04 -0.85 0.40 -0.76 -1.32 0.00 0.00 176.35 173.77 1crr s LEU 53 N 2.43 5.29 -0.71 -0.68 1.02 -1.13 -2.18 118.68 122.71 1crr s LEU 53 Ca 0.72 -2.66 -0.26 0.00 0.02 0.00 0.00 54.13 51.95 1crr s LEU 53 Cb -0.39 -1.86 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 1crr s LEU 53 CO 0.31 -0.42 2.01 -0.62 0.02 0.00 0.00 176.35 177.66 1crr s ASP 54 N 1.00 4.99 0.05 2.29 2.15 -0.81 -4.16 116.67 122.18 1crr s ASP 54 Ca 0.15 0.06 -0.31 0.00 0.43 0.00 0.00 52.55 52.88 1crr s ASP 54 Cb -0.21 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 1crr s ASP 54 CO -0.04 -2.71 1.56 -0.63 -0.17 0.00 0.00 175.17 173.18 1crr s ILE 55 N 10.37 3.24 -0.27 4.11 -1.09 -0.19 -2.55 121.20 134.82 1crr s ILE 55 Ca 0.74 0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 59.78 1crr s ILE 55 Cb -0.11 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1crr s ILE 55 CO 0.13 0.00 0.08 -0.22 -1.23 0.00 0.00 174.94 173.70 1crr s LEU 56 N 2.43 3.63 -0.21 2.97 1.98 -1.11 -2.00 118.68 126.38 1crr s LEU 56 Ca 0.70 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 51.54 1crr s LEU 56 Cb -0.37 -1.92 0.05 0.00 0.66 0.00 0.00 46.19 44.61 1crr s LEU 56 CO 0.30 -0.10 -0.06 -0.62 -1.89 0.00 0.00 176.35 173.98 1crr s ASP 57 N 1.58 3.42 0.31 3.68 2.15 -1.26 -2.49 116.67 124.05 1crr s ASP 57 Ca 0.05 -0.95 -0.25 0.00 0.43 0.00 0.00 52.55 51.82 1crr s ASP 57 Cb -0.16 -1.08 -0.10 0.00 -0.30 0.00 0.00 42.92 41.29 1crr s ASP 57 CO 0.03 -0.21 0.92 0.42 -0.17 0.00 0.00 175.17 176.16 1crr s THR 58 N 1.49 4.25 0.16 1.71 -4.23 -1.26 -4.53 115.64 113.23 1crr s THR 58 Ca -0.03 1.77 0.02 0.00 -1.18 0.00 0.00 61.69 62.27 1crr s THR 58 Cb -0.17 -4.00 0.02 0.00 1.34 0.00 0.00 72.50 69.68 1crr s THR 58 CO -0.07 0.16 0.14 0.00 -0.54 0.00 0.00 174.62 174.31 1crr n ALA 59 N 0.61 0.27 -1.81 3.99 0.00 -1.26 -5.05 120.51 117.26 1crr n ALA 59 Ca 0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 1crr n ALA 59 Cb 0.50 0.25 0.09 0.00 0.00 0.00 0.00 19.45 20.29 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 3.06 5.89 3.76 0.00 0.00 -1.22 -5.05 105.19 111.63 1crr n GLY 60 Ca 0.00 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.49 3.72 0.00 1.61 0.74 -1.26 -4.92 119.66 116.06 1crr s GLN 61 Ca 0.48 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.96 1crr s GLN 61 Cb 0.41 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.97 1crr s GLN 61 CO 0.00 -0.67 0.00 -0.85 -0.55 0.00 0.00 175.29 173.23 1crr n GLU 62 N -0.30 -1.63 -2.14 1.67 0.28 -1.26 -4.49 120.64 112.77 1crr n GLU 62 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1crr n GLU 62 Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 1crr n GLU 62 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1crr n GLU 63 N -1.80 -0.34 -1.47 3.44 0.28 -1.26 -4.84 120.64 114.65 1crr n GLU 63 Ca 0.00 0.13 0.18 0.00 -0.16 0.00 0.00 57.16 57.31 1crr n GLU 63 Cb 0.00 -3.65 -0.08 0.00 1.43 0.00 0.00 31.44 29.14 1crr n GLU 63 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crr n TYR 64 N -3.82 -3.85 -3.75 -1.84 9.36 -1.26 -4.84 117.16 107.16 1crr n TYR 64 Ca -0.03 2.06 -0.30 0.00 3.32 0.00 0.00 57.90 62.95 1crr n TYR 64 Cb 0.52 -3.50 -0.15 0.00 -0.63 0.00 0.00 39.34 35.58 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 -7.27 3.91 -0.09 2.98 0.15 -1.26 -4.94 113.70 107.17 1crr s SER 65 Ca 0.00 -1.53 0.09 0.00 0.70 0.00 0.00 55.95 55.20 1crr s SER 65 Cb 0.00 -0.86 -0.12 0.00 -1.71 0.00 0.00 66.02 63.33 1crr s SER 65 CO 0.00 -0.39 0.04 0.00 1.20 0.00 0.00 173.24 174.08 1crr n ALA 66 N 4.85 1.77 0.30 5.45 0.00 -1.26 -4.48 120.51 127.15 1crr n ALA 66 Ca -0.03 -0.62 0.18 0.00 0.00 0.00 0.00 53.44 52.97 1crr n ALA 66 Cb 0.43 0.04 0.95 0.00 0.00 0.00 0.00 19.45 20.87 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 0.22 0.00 4.05 -1.99 -2.80 114.93 114.40 1crr h MET 67 Ca -0.25 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.15 1crr h MET 67 Cb 1.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1crr h MET 67 CO 0.01 0.03 -0.11 -0.09 0.23 0.00 0.00 176.91 176.99 1crr h ARG 68 N 0.00 -0.29 -0.83 0.39 2.43 -1.99 -1.57 114.38 112.52 1crr h ARG 68 Ca -0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1crr h ARG 68 Cb 0.20 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1crr h ARG 68 CO 0.00 -0.09 0.54 0.22 -1.51 0.00 0.00 179.97 179.13 1crr h ASP 69 N -0.43 0.91 0.07 -3.80 3.58 -1.77 -0.86 116.42 114.11 1crr h ASP 69 Ca -0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1crr h ASP 69 Cb 0.33 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1crr h ASP 69 CO 0.05 0.63 -0.07 1.56 -2.88 0.00 0.00 179.24 178.54 1crr h GLN 70 N 1.06 0.00 0.00 0.28 4.20 -1.42 -1.00 115.11 118.23 1crr h GLN 70 Ca 0.32 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.86 1crr h GLN 70 Cb -0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1crr h GLN 70 CO -0.10 0.07 -0.82 1.88 -0.67 0.00 0.00 178.83 179.18 1crr h TYR 71 N 0.00 0.00 0.00 2.96 0.05 -0.16 -2.39 116.97 117.43 1crr h TYR 71 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1crr h TYR 71 Cb 0.12 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 1crr h TYR 71 CO 0.00 0.82 -0.00 0.52 -1.05 0.00 0.00 178.16 178.45 1crr h MET 72 N 0.00 0.00 0.00 4.88 2.86 -0.30 -2.03 114.93 120.34 1crr h MET 72 Ca -0.01 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 1crr h MET 72 Cb 1.52 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.11 1crr h MET 72 CO 0.11 0.00 -2.36 -2.13 1.06 0.00 0.00 176.91 173.59 1crr n ARG 73 N -3.09 0.77 0.14 1.72 0.00 -1.12 -4.61 116.66 110.48 1crr n ARG 73 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.71 1crr n ARG 73 Cb 0.10 -1.51 -0.07 0.00 0.00 0.00 0.00 32.46 30.98 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 0.54 -2.17 5.15 1.35 -0.87 -3.46 112.91 113.45 1crr h THR 74 Ca -0.54 -0.76 -0.08 0.00 -0.55 0.00 0.00 66.41 64.49 1crr h THR 74 Cb 2.19 0.85 0.03 0.00 -1.73 0.00 0.00 68.15 69.49 1crr h THR 74 CO 0.02 0.12 0.06 0.61 -0.25 0.00 0.00 175.52 176.08 1crr n GLY 75 N 0.13 -1.61 0.00 5.82 0.00 -0.84 -4.99 105.19 103.70 1crr n GLY 75 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.70 0.00 -2.64 1.61 4.71 -1.24 -4.94 120.64 116.44 1crr n GLU 76 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.77 1crr n GLU 76 Cb 0.10 -0.47 -0.04 0.00 -1.01 0.00 0.00 31.44 30.02 1crr n GLU 76 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1crr s GLY 77 N -1.94 2.95 -0.24 0.62 0.00 -0.83 -4.30 107.32 103.58 1crr s GLY 77 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.42 1crr s GLY 77 CO 0.00 1.52 -0.12 -1.36 0.00 0.00 0.00 173.10 173.14 1crr s PHE 78 N -0.20 3.07 -0.81 1.90 0.40 -1.14 0.39 117.98 121.60 1crr s PHE 78 Ca 0.47 -2.14 -0.08 0.00 -0.60 0.00 0.00 56.93 54.59 1crr s PHE 78 Cb -0.26 -1.88 0.21 0.00 0.51 0.00 0.00 43.02 41.60 1crr s PHE 78 CO 0.32 -0.85 0.71 -1.17 0.70 0.00 0.00 175.22 174.92 1crr s LEU 79 N 1.17 6.03 -0.86 -0.37 2.96 -0.97 -1.46 118.68 125.17 1crr s LEU 79 Ca -0.06 -3.02 -0.25 0.00 -0.22 0.00 0.00 54.13 50.57 1crr s LEU 79 Cb -0.19 -2.05 -0.08 0.00 0.50 0.00 0.00 46.19 44.37 1crr s LEU 79 CO -0.06 -0.41 2.12 0.00 -1.32 0.00 0.00 176.35 176.68 1crr s VAL 81 N 11.91 3.90 -0.16 0.00 1.01 -0.42 -2.01 120.40 134.62 1crr s VAL 81 Ca 0.79 1.58 -0.05 0.00 0.00 0.00 0.00 61.98 64.29 1crr s VAL 81 Cb -0.09 -4.01 0.08 0.00 0.00 0.00 0.00 36.38 32.36 1crr s VAL 81 CO 0.03 0.24 0.31 0.72 0.00 0.00 0.00 175.10 176.40 1crr s PHE 82 N 0.01 -0.54 -0.21 5.22 -0.71 -0.78 -3.58 117.98 117.40 1crr s PHE 82 Ca 0.51 1.05 -0.29 0.00 -1.04 0.00 0.00 56.93 57.16 1crr s PHE 82 Cb -0.29 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 1crr s PHE 82 CO 0.34 -0.44 1.57 0.00 -1.34 0.00 0.00 175.22 175.36 1crr s ALA 83 N 2.47 3.34 0.30 1.99 0.00 -1.26 -1.50 121.76 127.10 1crr s ALA 83 Ca 0.02 0.48 0.37 0.00 0.00 0.00 0.00 51.96 52.83 1crr s ALA 83 Cb -0.13 -3.82 1.86 0.00 0.00 0.00 0.00 23.12 21.03 1crr s ALA 83 CO -0.10 -1.84 2.12 -0.84 0.00 0.00 0.00 175.76 175.10 1crr h ILE 84 N 6.04 0.00 -0.86 0.00 -0.00 -1.70 -1.68 117.51 119.30 1crr h ILE 84 Ca -0.33 -0.17 -0.38 0.00 -0.00 0.00 0.00 64.86 63.98 1crr h ILE 84 Cb 1.15 1.08 -0.23 0.00 -0.00 0.00 0.00 36.82 38.83 1crr h ILE 84 CO 1.00 0.00 0.48 -3.20 -0.00 0.00 0.00 178.15 176.43 1crr n ASN 85 N -2.92 4.15 0.00 2.16 5.15 -1.26 -2.12 115.26 120.42 1crr n ASN 85 Ca -0.01 -3.38 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 1crr n ASN 85 Cb 0.15 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1crr n ASN 85 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1crr n ASN 86 N -0.68 0.54 0.00 1.20 2.85 -0.64 -4.92 115.26 113.61 1crr n ASN 86 Ca 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1crr n ASN 86 Cb 1.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.53 1crr n ASN 86 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1crr n THR 87 N -2.61 0.00 0.21 -0.44 -1.04 -1.17 -4.67 114.28 104.56 1crr n THR 87 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1crr n THR 87 Cb 0.28 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.09 -0.36 -2.82 3.64 -1.96 -0.43 116.57 114.73 1crr h LYS 88 Ca 0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1crr h LYS 88 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1crr h LYS 88 CO 0.00 0.10 -0.09 0.66 -2.27 0.00 0.00 179.45 177.86 1crr h SER 89 N 0.09 0.60 -0.23 4.20 4.64 -1.83 -1.62 113.55 119.39 1crr h SER 89 Ca 0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1crr h SER 89 Cb 0.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1crr h SER 89 CO 0.00 0.73 0.15 0.15 -0.87 0.00 0.00 176.83 176.98 1crr h PHE 90 N 0.57 0.28 0.00 4.77 3.04 -1.36 -0.33 116.94 123.91 1crr h PHE 90 Ca 0.11 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1crr h PHE 90 Cb 0.49 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1crr h PHE 90 CO 0.02 0.17 -0.16 0.93 -2.02 0.00 0.00 178.31 177.25 1crr h GLU 91 N 0.30 0.00 0.00 1.11 5.08 -1.31 -1.27 114.58 118.49 1crr h GLU 91 Ca 0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1crr h GLU 91 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1crr h GLU 91 CO -0.03 0.16 -0.45 0.22 -1.00 0.00 0.00 179.01 177.92 1crr h ASP 92 N 0.00 0.00 0.97 1.42 3.58 -0.13 -2.70 116.42 119.57 1crr h ASP 92 Ca -0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1crr h ASP 92 Cb 0.33 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1crr h ASP 92 CO 0.02 0.45 -0.62 0.40 -2.88 0.00 0.00 179.24 176.61 1crr h ILE 93 N 0.00 1.23 0.87 2.25 1.08 -0.05 -1.93 117.51 120.95 1crr h ILE 93 Ca -0.00 -2.30 -0.04 0.00 -0.39 0.00 0.00 64.86 62.12 1crr h ILE 93 Cb 0.87 2.32 0.01 0.00 -3.07 0.00 0.00 36.82 36.95 1crr h ILE 93 CO 0.06 0.61 -0.42 -0.74 -0.69 0.00 0.00 178.15 176.97 1crr h HIS 94 N 0.00 -1.08 -0.28 1.37 2.76 -1.23 0.21 115.15 116.89 1crr h HIS 94 Ca -0.01 -0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1crr h HIS 94 Cb 1.27 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.58 1crr h HIS 94 CO 0.00 -0.67 -0.26 1.96 -1.30 0.00 0.00 177.93 177.66 1crr h GLN 95 N -1.19 0.56 0.00 5.26 4.20 -1.63 -1.85 115.11 120.45 1crr h GLN 95 Ca -0.12 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1crr h GLN 95 Cb 0.90 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1crr h GLN 95 CO 0.20 0.77 -0.02 1.88 -0.67 0.00 0.00 178.83 180.98 1crr h TYR 96 N 0.49 0.00 -1.04 2.96 -1.99 -1.18 -2.18 116.97 114.02 1crr h TYR 96 Ca 0.07 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.27 1crr h TYR 96 Cb 0.70 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.24 1crr h TYR 96 CO 0.03 0.02 0.59 -2.13 -0.00 0.00 0.00 178.16 176.67 1crr n ARG 97 N -3.27 2.34 0.00 4.88 0.00 0.05 -3.82 116.66 116.84 1crr n ARG 97 Ca -0.02 -2.47 0.00 0.00 -0.00 0.00 0.00 57.85 55.35 1crr n ARG 97 Cb 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.56 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 0.20 0.00 0.19 -0.14 1.02 -0.83 -4.82 120.64 116.26 1crr n GLU 98 Ca 0.47 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.75 1crr n GLU 98 Cb 0.52 -0.09 0.62 0.00 -0.02 0.00 0.00 31.44 32.47 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 0.02 3.49 4.15 -1.67 -1.41 115.11 119.69 1crr h GLN 99 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 1crr h GLN 99 Cb 0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1crr h GLN 99 CO 0.00 0.00 -1.00 0.82 -1.93 0.00 0.00 178.83 176.72 1crr h ILE 100 N 0.00 1.38 0.00 2.39 2.04 -1.87 -2.24 117.51 119.21 1crr h ILE 100 Ca 0.00 -2.46 -0.12 0.00 1.00 0.00 0.00 64.86 63.28 1crr h ILE 100 Cb 0.28 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1crr h ILE 100 CO 0.00 0.74 -0.55 0.07 0.00 0.00 0.00 178.15 178.40 1crr h LYS 101 N 0.25 0.00 0.52 2.37 2.10 -1.52 -2.56 116.57 117.73 1crr h LYS 101 Ca -0.10 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 1crr h LYS 101 Cb 1.64 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.98 1crr h LYS 101 CO 0.18 0.55 -0.25 -0.09 -2.00 0.00 0.00 179.45 177.84 1crr h ARG 102 N 0.00 -0.67 0.43 0.07 2.43 -1.14 1.05 114.38 116.54 1crr h ARG 102 Ca -0.01 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1crr h ARG 102 Cb 1.16 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1crr h ARG 102 CO 0.07 -0.38 -0.34 0.28 -1.51 0.00 0.00 179.97 178.09 1crr h VAL 103 N -0.88 0.30 -0.03 0.20 2.07 -1.42 -1.87 116.25 114.61 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 0.60 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1crr h VAL 103 CO 0.12 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.00 1crr n LYS 104 N -5.46 1.17 -4.31 1.57 4.01 -0.97 -4.90 118.16 109.27 1crr n LYS 104 Ca -0.11 -0.25 -0.33 0.00 -0.51 0.00 0.00 58.31 57.12 1crr n LYS 104 Cb 0.36 -1.37 -0.08 0.00 -0.51 0.00 0.00 35.03 33.43 1crr n LYS 104 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1crr n ASP 105 N -0.59 -0.13 -3.63 4.39 5.75 0.35 -4.88 116.55 117.81 1crr n ASP 105 Ca 0.17 -1.21 -0.03 0.00 -0.01 0.00 0.00 54.79 53.70 1crr n ASP 105 Cb 0.14 -1.90 -0.03 0.00 -1.03 0.00 0.00 41.12 38.29 1crr n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1crr s SER 106 N -4.07 -0.09 -0.93 -1.12 0.15 -0.55 -5.00 113.70 102.08 1crr s SER 106 Ca 0.23 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 1crr s SER 106 Cb -0.13 0.08 0.27 0.00 -1.71 0.00 0.00 66.02 64.53 1crr s SER 106 CO 0.98 -0.11 1.12 0.47 1.20 0.00 0.00 173.24 176.90 1crr n ASP 107 N 0.33 5.20 -2.69 5.45 8.00 -1.26 -4.36 116.55 127.21 1crr n ASP 107 Ca -0.00 -3.33 -0.06 0.00 0.71 0.00 0.00 54.79 52.11 1crr n ASP 107 Cb 0.58 -1.08 0.11 0.00 -0.02 0.00 0.00 41.12 40.71 1crr n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1crr n ASP 108 N 1.53 -1.21 -4.93 -2.24 2.03 -1.26 -5.13 116.55 105.34 1crr n ASP 108 Ca 0.26 -2.42 -0.28 0.00 0.52 0.00 0.00 54.79 52.88 1crr n ASP 108 Cb 0.36 0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 41.41 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1crr s VAL 109 N -0.43 5.26 -1.01 5.18 1.01 -1.26 -4.97 120.40 124.17 1crr s VAL 109 Ca 0.20 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.50 1crr s VAL 109 Cb 0.42 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 1crr s VAL 109 CO -0.08 -0.11 1.98 -2.16 0.00 0.00 0.00 175.10 174.74 1crr s PRO 110 N -3.18 2.39 0.36 2.72 0.05 -1.26 -4.91 135.00 131.16 1crr s PRO 110 Ca 0.37 -0.58 -0.10 0.00 0.05 0.00 0.00 61.00 60.74 1crr s PRO 110 Cb -0.11 -5.11 -0.07 0.00 0.05 0.00 0.00 34.50 29.26 1crr s PRO 110 CO 0.28 -3.81 0.71 1.41 0.05 0.00 0.00 177.00 175.64 1crr s MET 111 N 7.02 3.79 -0.28 4.56 1.75 -1.26 -2.88 119.30 131.99 1crr s MET 111 Ca 0.72 0.39 0.01 0.00 -1.25 0.00 0.00 55.69 55.56 1crr s MET 111 Cb -0.05 -2.47 0.16 0.00 2.84 0.00 0.00 34.83 35.32 1crr s MET 111 CO 0.06 0.07 0.44 0.08 -0.65 0.00 0.00 175.02 175.02 1crr s VAL 112 N -2.21 -0.70 -0.50 10.11 1.01 -0.54 -4.26 120.40 123.31 1crr s VAL 112 Ca 0.50 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 1crr s VAL 112 Cb -0.10 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1crr s VAL 112 CO 0.28 -0.18 0.89 -0.22 0.00 0.00 0.00 175.10 175.87 1crr s LEU 113 N 2.60 4.13 0.03 3.92 0.20 -0.99 -1.65 118.68 126.92 1crr s LEU 113 Ca 0.12 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.85 1crr s LEU 113 Cb -0.13 -2.96 -0.03 0.00 -0.43 0.00 0.00 46.19 42.63 1crr s LEU 113 CO -0.25 -1.10 -0.22 -0.69 -0.29 0.00 0.00 176.35 173.80 1crr s VAL 114 N 3.71 2.44 -0.22 1.68 1.01 -0.85 -2.66 120.40 125.51 1crr s VAL 114 Ca 0.32 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1crr s VAL 114 Cb -0.12 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1crr s VAL 114 CO 0.22 0.40 -0.06 -0.83 0.00 0.00 0.00 175.10 174.83 1crr s GLY 115 N -1.18 1.58 0.67 4.51 0.00 -0.90 -1.86 107.32 110.14 1crr s GLY 115 Ca 0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 1crr s GLY 115 CO 0.03 0.42 1.00 0.21 0.00 0.00 0.00 173.10 174.75 1crr s ASN 116 N 1.44 5.16 -0.20 1.64 3.04 -0.56 -1.67 114.94 123.78 1crr s ASN 116 Ca 0.05 0.67 -0.00 0.00 0.04 0.00 0.00 52.86 53.62 1crr s ASN 116 Cb -0.14 -1.45 0.00 0.00 -1.54 0.00 0.00 41.25 38.12 1crr s ASN 116 CO -0.05 -1.40 0.17 1.17 -3.04 0.00 0.00 177.10 173.96 1crr n LYS 117 N -2.84 -1.15 0.00 0.43 4.81 -0.68 -2.34 118.16 116.40 1crr n LYS 117 Ca 0.07 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.76 1crr n LYS 117 Cb 0.59 -3.05 0.03 0.00 0.02 0.00 0.00 35.03 32.62 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 0.48 7.48 -3.65 0.00 5.75 -1.26 -4.88 116.55 120.47 1crr n ASP 119 Ca 0.11 -3.07 -0.07 0.00 -0.01 0.00 0.00 54.79 51.75 1crr n ASP 119 Cb 0.52 -1.34 -0.02 0.00 -1.03 0.00 0.00 41.12 39.24 1crr n ASP 119 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1crr s LEU 120 N -1.81 -0.32 -0.06 -2.12 2.34 -1.26 -5.06 118.68 110.39 1crr s LEU 120 Ca 0.58 -0.28 -0.04 0.00 0.06 0.00 0.00 54.13 54.45 1crr s LEU 120 Cb 0.25 2.37 -0.27 0.00 -0.56 0.00 0.00 46.19 47.98 1crr s LEU 120 CO -0.12 -0.97 0.62 0.00 -1.06 0.00 0.00 176.35 174.82 1crr h ALA 121 N 2.00 0.37 -0.91 1.48 0.00 -1.96 -3.43 119.26 116.81 1crr h ALA 121 Ca -0.24 -1.26 -0.22 0.00 0.00 0.00 0.00 54.91 53.18 1crr h ALA 121 Cb 1.25 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1crr h ALA 121 CO 0.29 1.24 0.81 0.00 0.00 0.00 0.00 179.25 181.58 1crr n ALA 122 N -2.81 0.55 -3.76 0.00 0.00 -1.26 -4.86 120.51 108.37 1crr n ALA 122 Ca -0.23 -1.17 -0.36 0.00 0.00 0.00 0.00 53.44 51.68 1crr n ALA 122 Cb 1.05 -3.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 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 8.61 2.37 0.24 0.00 3.52 -1.26 -4.63 118.95 127.80 1crr s ARG 123 Ca 0.97 -2.36 0.01 0.00 -0.13 0.00 0.00 55.73 54.22 1crr s ARG 123 Cb -0.18 -3.66 0.26 0.00 -1.56 0.00 0.00 34.95 29.82 1crr s ARG 123 CO 0.18 -1.14 1.60 1.79 -0.81 0.00 0.00 175.30 176.92 1crr h THR 124 N 5.57 1.31 -2.47 4.11 1.35 -1.88 -3.36 112.91 117.54 1crr h THR 124 Ca -0.05 -1.62 -0.65 0.00 -0.55 0.00 0.00 66.41 63.54 1crr h THR 124 Cb 0.97 1.65 -0.16 0.00 -1.73 0.00 0.00 68.15 68.88 1crr h THR 124 CO 0.71 0.50 0.70 -0.69 -0.25 0.00 0.00 175.52 176.49 1crr s VAL 125 N -4.15 4.48 1.11 6.82 1.01 -0.90 -5.02 120.40 123.74 1crr s VAL 125 Ca -0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1crr s VAL 125 Cb 0.12 -4.74 0.24 0.00 0.00 0.00 0.00 36.38 32.01 1crr s VAL 125 CO 0.81 -1.50 1.00 -1.84 0.00 0.00 0.00 175.10 173.58 1crr n GLU 126 N 7.26 -1.90 -2.36 2.72 0.28 -1.26 -4.85 120.64 120.54 1crr n GLU 126 Ca 0.09 -0.51 -0.43 0.00 -0.16 0.00 0.00 57.16 56.15 1crr n GLU 126 Cb 0.47 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.14 1crr n GLU 126 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1crr n SER 127 N -4.60 4.80 0.00 -1.84 7.64 -1.26 -3.89 113.62 114.47 1crr n SER 127 Ca 0.05 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1crr n SER 127 Cb 0.54 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 5.51 0.00 -0.02 1.43 0.63 -1.26 -4.89 116.66 118.07 1crr n ARG 128 Ca 0.44 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.25 1crr n ARG 128 Cb 0.40 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.25 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 0.14 0.00 -0.14 1.08 -1.95 -1.66 115.11 112.58 1crr h GLN 129 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1crr h GLN 129 Cb 0.00 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1crr h GLN 129 CO 0.00 0.27 -0.09 0.00 -0.95 0.00 0.00 178.83 178.07 1crr h ALA 130 N 0.86 1.45 -0.21 3.87 0.00 -1.93 -1.64 119.26 121.67 1crr h ALA 130 Ca 0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1crr h ALA 130 Cb 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1crr h ALA 130 CO -0.00 0.11 -0.54 1.96 0.00 0.00 0.00 179.25 180.77 1crr h GLN 131 N 0.00 0.61 0.00 0.00 4.20 -1.68 -2.31 115.11 115.93 1crr h GLN 131 Ca -0.00 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 1crr h GLN 131 Cb 0.21 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1crr h GLN 131 CO 0.01 0.99 -0.39 -0.44 -0.67 0.00 0.00 178.83 178.34 1crr h ASP 132 N 0.47 0.00 0.04 1.46 5.19 -0.50 -2.62 116.42 120.46 1crr h ASP 132 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1crr h ASP 132 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1crr h ASP 132 CO 0.11 0.39 -0.02 0.25 -3.12 0.00 0.00 179.24 176.84 1crr h LEU 133 N 0.00 -0.05 -1.00 1.55 5.85 -1.28 -3.03 115.31 117.35 1crr h LEU 133 Ca -0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1crr h LEU 133 Cb 1.21 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1crr h LEU 133 CO 0.05 0.37 0.66 0.00 -0.34 0.00 0.00 178.44 179.18 1crr h ALA 134 N -1.16 1.33 -0.43 1.25 0.00 -1.57 -1.48 119.26 117.21 1crr h ALA 134 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1crr h ALA 134 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1crr h ALA 134 CO 0.01 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.05 1crr h ARG 135 N 1.27 0.58 -0.28 0.00 2.47 -1.61 0.29 114.38 117.10 1crr h ARG 135 Ca 0.40 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1crr h ARG 135 Cb -0.00 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 1crr h ARG 135 CO -0.12 0.43 0.01 1.03 0.56 0.00 0.00 179.97 181.88 1crr h SER 136 N 0.59 0.39 -0.02 7.04 0.87 -1.14 -2.10 113.55 119.19 1crr h SER 136 Ca 0.15 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1crr h SER 136 Cb 0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1crr h SER 136 CO -0.03 0.45 -0.13 -1.22 -0.53 0.00 0.00 176.83 175.37 1crr n TYR 137 N -4.32 0.00 -3.12 2.24 4.01 -0.40 -4.99 117.16 110.58 1crr n TYR 137 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1crr n TYR 137 Cb 0.21 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 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 1.36 -1.01 3.13 2.72 0.00 0.89 -5.03 105.19 107.24 1crr n GLY 138 Ca 0.13 0.52 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.36 0.84 0.47 -0.61 -4.36 -0.81 -4.99 121.20 108.38 1crr s ILE 139 Ca 0.43 -1.28 -0.24 0.00 -0.26 0.00 0.00 60.65 59.30 1crr s ILE 139 Cb -0.06 -0.94 -0.07 0.00 1.25 0.00 0.00 42.46 42.65 1crr s ILE 139 CO 0.69 -0.35 1.28 -2.16 0.24 0.00 0.00 174.94 174.63 1crr s PRO 140 N -1.87 3.64 -0.11 0.37 0.04 -1.26 -4.55 135.00 131.26 1crr s PRO 140 Ca -0.04 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1crr s PRO 140 Cb -0.09 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 1crr s PRO 140 CO 0.01 -0.73 -0.15 -0.47 0.04 0.00 0.00 177.00 175.69 1crr s TYR 141 N -1.36 2.75 0.31 0.56 5.04 -1.26 -2.34 117.35 121.05 1crr s TYR 141 Ca 0.63 -0.64 -0.03 0.00 -2.44 0.00 0.00 57.07 54.59 1crr s TYR 141 Cb -0.36 -1.79 -0.01 0.00 0.35 0.00 0.00 41.96 40.15 1crr s TYR 141 CO 0.44 -0.19 0.41 0.42 -1.34 0.00 0.00 175.55 175.29 1crr s ILE 142 N 0.19 0.00 0.25 3.14 1.01 -1.09 -5.03 121.20 119.68 1crr s ILE 142 Ca -0.09 -1.66 0.05 0.00 0.00 0.00 0.00 60.65 58.95 1crr s ILE 142 Cb -0.15 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1crr s ILE 142 CO 0.05 0.00 -0.03 -1.61 0.00 0.00 0.00 174.94 173.35 1crr s GLU 143 N -3.37 1.44 0.14 2.79 8.01 -1.26 -2.12 118.70 124.32 1crr s GLU 143 Ca 0.31 -1.73 -0.15 0.00 0.01 0.00 0.00 54.97 53.42 1crr s GLU 143 Cb 0.01 -0.88 0.02 0.00 -4.31 0.00 0.00 34.13 28.97 1crr s GLU 143 CO 0.18 -0.03 0.39 0.95 0.01 0.00 0.00 175.26 176.77 1crr s THR 144 N -3.22 0.07 -0.31 3.63 -4.23 -0.67 -4.20 115.64 106.71 1crr s THR 144 Ca 0.29 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.98 1crr s THR 144 Cb 0.05 -1.37 0.19 0.00 1.34 0.00 0.00 72.50 72.71 1crr s THR 144 CO 0.10 -0.30 0.84 -0.44 -0.54 0.00 0.00 174.62 174.28 1crr s SER 145 N -2.85 -0.97 0.42 3.99 0.01 0.76 -1.68 113.70 113.38 1crr s SER 145 Ca 0.06 0.01 0.29 0.00 1.31 0.00 0.00 55.95 57.63 1crr s SER 145 Cb 0.02 1.54 1.42 0.00 0.21 0.00 0.00 66.02 69.21 1crr s SER 145 CO -0.08 -0.17 1.89 0.00 0.41 0.00 0.00 173.24 175.29 1crr h ALA 146 N 7.35 1.00 0.00 1.44 0.00 -1.87 -1.41 119.26 125.76 1crr h ALA 146 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 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 0.02 0.00 0.00 -0.22 0.00 0.00 0.00 179.25 179.05 1crr h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.93 -3.24 116.57 115.04 1crr h LYS 147 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1crr h LYS 147 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1crr h LYS 147 CO 0.00 0.00 -0.16 -2.37 -2.27 0.00 0.00 179.45 174.65 1crr n THR 148 N -2.50 0.00 -2.49 1.00 5.66 -0.94 -4.99 114.28 110.02 1crr n THR 148 Ca -0.01 -0.04 -0.16 0.00 -3.05 0.00 0.00 64.05 60.79 1crr n THR 148 Cb 0.09 0.19 -0.01 0.00 -1.55 0.00 0.00 70.33 69.06 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 -2.20 -3.23 1.09 3.00 -0.59 -4.92 116.66 109.83 1crr n ARG 149 Ca -0.04 0.74 -0.42 0.00 -0.01 0.00 0.00 57.85 58.13 1crr n ARG 149 Cb 0.59 -5.38 -0.08 0.00 0.00 0.00 0.00 32.46 27.59 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1crr s GLN 150 N -5.10 3.57 0.00 5.56 2.00 -0.85 -4.10 119.66 120.74 1crr s GLN 150 Ca 0.03 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 1crr s GLN 150 Cb -0.01 -3.83 0.00 0.00 0.80 0.00 0.00 33.01 29.97 1crr s GLN 150 CO 0.03 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 174.55 1crr n GLY 151 N 4.83 2.98 0.38 2.59 0.00 -1.26 -0.17 105.19 114.54 1crr n GLY 151 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.15 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 0.77 0.25 1.61 2.07 -1.73 -2.36 116.25 116.86 1crr h VAL 152 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1crr h VAL 152 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1crr h VAL 152 CO 0.00 0.05 -0.12 -0.33 0.02 0.00 0.00 177.57 177.20 1crr h GLU 153 N 0.30 -0.32 -0.90 1.57 5.08 -1.90 -2.68 114.58 115.74 1crr h GLU 153 Ca 0.35 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.99 1crr h GLU 153 Cb 0.93 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1crr h GLU 153 CO -0.09 -0.21 0.64 -0.44 -1.00 0.00 0.00 179.01 177.91 1crr h ASP 154 N -0.42 0.02 0.00 1.42 3.32 -1.88 -1.67 116.42 117.21 1crr h ASP 154 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1crr h ASP 154 Cb 0.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1crr h ASP 154 CO 0.06 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1crr n ALA 155 N -2.70 -0.13 0.05 3.45 0.00 -0.90 -2.43 120.51 117.84 1crr n ALA 155 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 1crr n ALA 155 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 1crr n ALA 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1crr h PHE 156 N 0.00 -0.68 0.12 0.00 0.04 -1.42 -1.76 116.94 113.24 1crr h PHE 156 Ca 0.00 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.81 1crr h PHE 156 Cb 0.00 0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1crr h PHE 156 CO 0.06 -0.34 -0.37 1.88 -0.60 0.00 0.00 178.31 178.94 1crr h TYR 157 N -0.38 -1.02 -0.09 -0.55 -1.99 -1.48 -0.65 116.97 110.81 1crr h TYR 157 Ca 0.07 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.85 1crr h TYR 157 Cb 0.47 0.43 -0.00 0.00 2.00 0.00 0.00 36.73 39.63 1crr h TYR 157 CO -0.29 -0.47 0.12 1.15 -0.00 0.00 0.00 178.16 178.66 1crr h THR 158 N -0.60 0.40 -0.12 -2.88 2.02 -1.36 -1.83 112.91 108.55 1crr h THR 158 Ca 0.03 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 1crr h THR 158 Cb 0.63 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1crr h THR 158 CO -0.21 0.00 -0.31 0.25 0.37 0.00 0.00 175.52 175.62 1crr h LEU 159 N 0.00 0.48 -1.21 2.58 6.46 -0.21 -2.72 115.31 120.69 1crr h LEU 159 Ca 0.04 -0.58 -0.08 0.00 -0.12 0.00 0.00 57.88 57.14 1crr h LEU 159 Cb 0.29 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1crr h LEU 159 CO -0.00 0.98 -0.39 0.58 -0.62 0.00 0.00 178.44 178.99 1crr h VAL 160 N 0.00 1.21 -0.11 1.05 2.07 -0.75 -2.46 116.25 117.26 1crr h VAL 160 Ca -0.00 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.02 1crr h VAL 160 Cb 0.92 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1crr h VAL 160 CO 0.07 0.38 -0.54 -0.09 0.02 0.00 0.00 177.57 177.41 1crr h ARG 161 N 0.00 0.33 -0.12 1.57 2.43 -1.39 -2.24 114.38 114.95 1crr h ARG 161 Ca -0.00 -0.20 -0.19 0.00 -0.81 0.00 0.00 59.98 58.78 1crr h ARG 161 Cb 0.72 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1crr h ARG 161 CO 0.05 0.78 -0.67 0.93 -1.51 0.00 0.00 179.97 179.55 1crr h GLU 162 N 0.25 0.67 -0.35 0.20 3.07 -1.17 -3.17 114.58 114.09 1crr h GLU 162 Ca 0.01 -0.56 -0.06 0.00 -0.50 0.00 0.00 59.36 58.25 1crr h GLU 162 Cb 1.03 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 1crr h GLU 162 CO 0.09 1.17 -0.04 0.82 -1.40 0.00 0.00 179.01 179.65 1crr h ILE 163 N 0.34 1.22 -0.48 3.13 2.04 -1.41 -1.14 117.51 121.21 1crr h ILE 163 Ca -0.05 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 64.99 1crr h ILE 163 Cb 1.31 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1crr h ILE 163 CO 0.14 0.30 0.33 0.03 0.00 0.00 0.00 178.15 178.95 1crr h ARG 164 N 0.53 0.29 0.00 2.37 3.08 -1.37 -3.29 114.38 115.99 1crr h ARG 164 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1crr h ARG 164 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1crr h ARG 164 CO 0.02 0.19 0.00 0.94 -1.07 0.00 0.00 179.97 180.05 1crr n GLN 165 N -4.46 0.00 -0.50 0.04 7.27 -0.87 -5.12 117.38 113.73 1crr n GLN 165 Ca 0.07 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1crr n GLN 165 Cb 0.33 -0.46 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