#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crr n THR 2 N 0.00 0.00 -3.83 3.17 -1.04 -1.26 -4.95 114.28 106.37 1crr n THR 2 Ca 0.00 -2.30 -0.29 0.00 -2.04 0.00 0.00 64.05 59.42 1crr n THR 2 Cb 0.00 0.59 -0.16 0.00 -1.82 0.00 0.00 70.33 68.94 1crr n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1crr s GLU 3 N -3.66 1.10 -0.16 -2.82 2.02 -1.26 -1.27 118.70 112.65 1crr s GLU 3 Ca 0.07 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 1crr s GLU 3 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 1crr s GLU 3 CO 0.05 -0.63 -0.01 0.71 0.02 0.00 0.00 175.26 175.40 1crr s TYR 4 N 1.64 3.09 -0.12 1.61 2.02 -1.08 -4.93 117.35 119.58 1crr s TYR 4 Ca -0.03 -0.16 -0.20 0.00 -0.37 0.00 0.00 57.07 56.31 1crr s TYR 4 Cb -0.18 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1crr s TYR 4 CO -0.08 0.06 0.55 0.15 -1.57 0.00 0.00 175.55 174.66 1crr s LYS 5 N 0.26 4.34 -1.15 -0.62 1.02 -1.26 -1.58 119.74 120.75 1crr s LYS 5 Ca -0.01 0.57 -0.10 0.00 0.02 0.00 0.00 55.97 56.45 1crr s LYS 5 Cb -0.13 -3.46 0.24 0.00 -0.52 0.00 0.00 37.83 33.95 1crr s LYS 5 CO 0.02 0.07 1.27 1.28 -0.92 0.00 0.00 175.35 177.07 1crr n LEU 6 N 3.92 5.50 -4.56 3.17 4.77 -1.07 -1.97 117.00 126.76 1crr n LEU 6 Ca -0.05 -4.84 -0.17 0.00 -0.03 0.00 0.00 56.01 50.93 1crr n LEU 6 Cb 0.51 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.02 1crr n LEU 6 CO 0.44 1.15 1.35 0.52 -1.33 0.00 0.00 177.39 179.52 1crr n VAL 7 N 3.29 -0.01 -3.04 4.08 0.31 0.17 -2.37 118.33 120.76 1crr n VAL 7 Ca 0.29 -0.54 -0.34 0.00 -0.01 0.00 0.00 64.34 63.74 1crr n VAL 7 Cb 0.40 -2.09 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 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 14.32 4.56 0.00 2.52 1.01 -1.06 -2.46 120.40 139.29 1crr s VAL 8 Ca 0.94 1.21 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1crr s VAL 8 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1crr s VAL 8 CO 0.11 -0.09 0.00 0.52 0.00 0.00 0.00 175.10 175.65 1crr n VAL 9 N -0.08 0.00 0.00 2.92 0.31 -1.13 -4.78 118.33 115.57 1crr n VAL 9 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1crr n VAL 9 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1crr n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1crr n GLY 10 N 0.00 0.16 3.71 2.92 0.00 -1.26 -1.83 105.19 108.90 1crr n GLY 10 Ca 0.00 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 1crr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1crr s ALA 11 N -2.00 1.18 -0.45 4.61 0.00 -1.16 -4.96 121.76 118.97 1crr s ALA 11 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1crr s ALA 11 Cb 0.00 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.36 1crr s ALA 11 CO 0.00 -3.22 0.35 0.20 0.00 0.00 0.00 175.76 173.09 1crr s GLY 12 N -4.29 2.02 0.00 0.00 0.00 -1.26 -4.17 107.32 99.62 1crr s GLY 12 Ca 0.73 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1crr s GLY 12 CO 0.55 1.03 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1crr n GLY 13 N 5.12 0.97 0.28 0.20 0.00 -1.26 -4.98 105.19 105.51 1crr n GLY 13 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 1.05 0.00 1.61 -1.51 -1.89 -3.46 116.25 112.05 1crr h VAL 14 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1crr h VAL 14 Cb 0.00 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1crr h VAL 14 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 1crr n GLY 15 N -1.49 1.91 0.30 5.19 0.00 -1.26 -4.48 105.19 105.36 1crr n GLY 15 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 1.00 0.49 1.61 2.10 -1.93 -2.66 116.57 117.18 1crr h LYS 16 Ca 0.00 -0.29 -0.02 0.00 -2.00 0.00 0.00 60.65 58.34 1crr h LYS 16 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1crr h LYS 16 CO 0.00 0.96 -0.23 0.77 -2.00 0.00 0.00 179.45 178.95 1crr h SER 17 N 0.92 -0.55 -0.87 7.07 0.02 -1.95 -2.25 113.55 115.93 1crr h SER 17 Ca 0.17 -0.08 0.25 0.00 -0.84 0.00 0.00 61.79 61.30 1crr h SER 17 Cb 0.50 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1crr h SER 17 CO 0.02 -0.21 0.65 0.00 -1.14 0.00 0.00 176.83 176.15 1crr h ALA 18 N -0.58 2.80 -0.15 3.77 0.00 -1.88 0.24 119.26 123.46 1crr h ALA 18 Ca -0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1crr h ALA 18 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1crr h ALA 18 CO 0.11 -1.10 -0.42 -0.07 0.00 0.00 0.00 179.25 177.77 1crr h LEU 19 N 0.00 0.63 0.42 0.00 3.38 -1.21 -1.18 115.31 117.35 1crr h LEU 19 Ca 0.41 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1crr h LEU 19 Cb 1.71 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1crr h LEU 19 CO -0.00 1.10 -0.20 0.74 0.09 0.00 0.00 178.44 180.17 1crr h THR 20 N 0.19 0.00 -0.84 0.22 2.02 0.02 -2.47 112.91 112.05 1crr h THR 20 Ca -0.01 -0.06 0.24 0.00 0.77 0.00 0.00 66.41 67.35 1crr h THR 20 Cb 1.03 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1crr h THR 20 CO 0.09 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.98 1crr h ILE 21 N -0.62 0.59 0.89 3.11 5.03 -1.40 -1.81 117.51 123.29 1crr h ILE 21 Ca -0.06 -0.01 -0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1crr h ILE 21 Cb 0.43 0.57 0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1crr h ILE 21 CO 0.09 0.00 -0.45 1.56 -0.68 0.00 0.00 178.15 178.67 1crr h GLN 22 N 0.02 -1.18 0.00 2.37 1.08 -0.91 0.23 115.11 116.72 1crr h GLN 22 Ca 0.40 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1crr h GLN 22 Cb 1.58 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 1crr h GLN 22 CO -0.01 -0.79 0.07 1.25 -0.95 0.00 0.00 178.83 178.40 1crr h LEU 23 N -1.23 0.00 0.00 1.46 6.46 -0.89 0.78 115.31 121.89 1crr h LEU 23 Ca -0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1crr h LEU 23 Cb 0.95 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1crr h LEU 23 CO 0.18 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.62 1crr n ILE 24 N -2.99 0.00 0.27 4.05 5.41 -0.69 -4.65 119.36 120.75 1crr n ILE 24 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.87 1crr n ILE 24 Cb 0.13 -0.55 0.76 0.00 -0.71 0.00 0.00 39.64 39.28 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 -4.46 0.38 4.20 -0.70 -3.48 115.11 111.05 1crr h GLN 25 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1crr h GLN 25 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1crr h GLN 25 CO 0.00 0.09 -0.28 -1.71 -0.67 0.00 0.00 178.83 176.26 1crr n ASN 26 N -3.47 -5.80 -3.23 1.46 4.05 0.27 -5.02 115.26 103.52 1crr n ASN 26 Ca -0.01 0.30 0.04 0.00 0.45 0.00 0.00 54.58 55.35 1crr n ASN 26 Cb 0.24 -3.81 -0.04 0.00 1.23 0.00 0.00 39.78 37.40 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 1crr s HIS 27 N -2.14 -0.10 -0.38 1.20 -3.43 -1.26 -5.04 115.29 104.16 1crr s HIS 27 Ca 0.14 0.17 -0.27 0.00 -0.80 0.00 0.00 55.06 54.30 1crr s HIS 27 Cb -0.04 0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 31.11 1crr s HIS 27 CO 0.49 -0.05 2.23 0.12 -2.00 0.00 0.00 174.74 175.53 1crr s PHE 28 N 1.98 1.23 -0.16 0.38 5.36 -1.26 -4.64 117.98 120.86 1crr s PHE 28 Ca -0.00 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 56.81 1crr s PHE 28 Cb -0.01 -3.81 -0.04 0.00 -0.34 0.00 0.00 43.02 38.82 1crr s PHE 28 CO -0.16 -3.18 0.41 0.14 -1.46 0.00 0.00 175.22 170.98 1crr s VAL 29 N 9.90 5.22 -0.30 3.12 -7.23 -1.26 -4.95 120.40 124.90 1crr s VAL 29 Ca 0.95 0.77 0.11 0.00 -1.81 0.00 0.00 61.98 62.00 1crr s VAL 29 Cb -0.24 -3.74 0.73 0.00 0.56 0.00 0.00 36.38 33.69 1crr s VAL 29 CO 0.30 0.31 1.74 0.47 -0.31 0.00 0.00 175.10 177.61 1crr n ASP 30 N 3.99 4.76 0.00 4.85 9.92 -1.26 -4.70 116.55 134.10 1crr n ASP 30 Ca -0.08 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1crr n ASP 30 Cb 0.51 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1crr n GLU 31 N -0.13 0.00 -1.22 -1.24 0.28 -1.26 -5.04 120.64 112.03 1crr n GLU 31 Ca 0.37 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.13 1crr n GLU 31 Cb 1.29 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 34.16 1crr n GLU 31 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1crr n TYR 32 N 0.00 1.74 -3.01 -1.84 9.36 -1.26 -4.90 117.16 117.24 1crr n TYR 32 Ca 0.00 -2.05 -0.00 0.00 3.32 0.00 0.00 57.90 59.17 1crr n TYR 32 Cb 0.00 -1.19 -0.00 0.00 -0.63 0.00 0.00 39.34 37.52 1crr n TYR 32 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1crr n ASP 33 N 0.46 -6.98 -4.57 2.98 9.92 -1.26 -4.66 116.55 112.44 1crr n ASP 33 Ca 0.42 0.81 -0.21 0.00 -0.53 0.00 0.00 54.79 55.27 1crr n ASP 33 Cb 0.56 -2.98 -0.07 0.00 -0.64 0.00 0.00 41.12 37.99 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 -1.17 2.04 0.00 -0.24 0.04 -1.26 -3.03 135.00 131.38 1crr s PRO 34 Ca -0.01 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1crr s PRO 34 Cb 0.00 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1crr s PRO 34 CO 0.29 -4.21 0.00 0.25 0.04 0.00 0.00 177.00 173.38 1crr n THR 35 N 8.31 0.00 -1.82 1.26 -2.24 -1.26 -4.62 114.28 113.91 1crr n THR 35 Ca 0.43 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.79 1crr n THR 35 Cb 0.46 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1crr n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1crr s ILE 36 N -1.05 2.89 -0.36 2.28 1.01 -1.17 -4.81 121.20 120.00 1crr s ILE 36 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1crr s ILE 36 Cb 0.00 -3.18 0.15 0.00 0.01 0.00 0.00 42.46 39.44 1crr s ILE 36 CO 0.00 -0.01 0.38 -0.70 0.00 0.00 0.00 174.94 174.62 1crr s GLU 37 N 3.00 0.60 0.00 2.79 -6.30 -1.26 -4.43 118.70 113.10 1crr s GLU 37 Ca 0.78 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 52.57 1crr s GLU 37 Cb -0.42 -0.65 0.00 0.00 0.00 0.00 0.00 34.13 33.06 1crr s GLU 37 CO 0.35 -1.17 0.00 -0.40 0.02 0.00 0.00 175.26 174.06 1crr n ASP 38 N 4.44 0.00 -3.65 -1.70 5.75 -1.26 -5.00 116.55 115.13 1crr n ASP 38 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.85 1crr n ASP 38 Cb 0.46 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1crr n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1crr s SER 39 N -1.15 -0.14 -0.26 -1.12 1.04 -1.26 -4.87 113.70 105.94 1crr s SER 39 Ca 0.00 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 1crr s SER 39 Cb 0.00 0.30 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1crr s SER 39 CO 0.00 -0.55 0.38 -0.31 0.98 0.00 0.00 173.24 173.74 1crr s TYR 40 N -2.82 -0.83 0.34 5.02 2.02 -1.08 -4.99 117.35 115.02 1crr s TYR 40 Ca 0.12 0.65 0.07 0.00 -0.37 0.00 0.00 57.07 57.53 1crr s TYR 40 Cb 0.01 -0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.50 1crr s TYR 40 CO -0.02 -0.79 0.39 1.03 -1.57 0.00 0.00 175.55 174.59 1crr s ARG 41 N 2.53 2.92 -0.27 -0.62 0.52 -1.26 -0.69 118.95 122.08 1crr s ARG 41 Ca 0.12 -1.16 -0.25 0.00 -0.52 0.00 0.00 55.73 53.92 1crr s ARG 41 Cb -0.15 -2.65 0.10 0.00 0.52 0.00 0.00 34.95 32.77 1crr s ARG 41 CO -0.20 0.06 0.92 0.21 0.02 0.00 0.00 175.30 176.31 1crr s LYS 42 N -4.09 0.63 -0.38 3.54 2.47 -1.02 -4.93 119.74 115.95 1crr s LYS 42 Ca 0.43 0.72 -0.06 0.00 -1.56 0.00 0.00 55.97 55.51 1crr s LYS 42 Cb -0.08 0.31 0.07 0.00 -1.46 0.00 0.00 37.83 36.68 1crr s LYS 42 CO 0.29 -0.08 0.17 -1.14 0.16 0.00 0.00 175.35 174.75 1crr s GLN 43 N 0.22 2.41 0.08 4.03 0.74 -1.26 -2.09 119.66 123.79 1crr s GLN 43 Ca 0.02 -1.47 0.01 0.00 0.05 0.00 0.00 55.36 53.96 1crr s GLN 43 Cb -0.05 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1crr s GLN 43 CO -0.03 -0.87 -0.06 0.14 -0.55 0.00 0.00 175.29 173.92 1crr s VAL 44 N 1.31 0.57 -0.10 1.34 -7.23 -1.26 -5.03 120.40 110.00 1crr s VAL 44 Ca 0.02 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.23 1crr s VAL 44 Cb -0.22 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 1crr s VAL 44 CO -0.00 -0.87 0.27 -0.69 -0.31 0.00 0.00 175.10 173.50 1crr s VAL 45 N -3.54 5.29 -0.01 1.32 1.01 -1.26 -3.39 120.40 119.82 1crr s VAL 45 Ca 0.09 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.53 1crr s VAL 45 Cb 0.05 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1crr s VAL 45 CO -0.06 0.52 0.56 0.40 0.00 0.00 0.00 175.10 176.53 1crr h ILE 46 N 4.18 0.00 -0.05 2.22 1.08 -1.77 -3.44 117.51 119.72 1crr h ILE 46 Ca -0.48 -0.19 -0.18 0.00 -0.39 0.00 0.00 64.86 63.62 1crr h ILE 46 Cb 1.20 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.77 1crr h ILE 46 CO 0.66 0.00 -0.36 0.47 -0.69 0.00 0.00 178.15 178.23 1crr n ASP 47 N -3.13 -1.14 0.00 1.72 8.00 -1.26 -4.94 116.55 115.80 1crr n ASP 47 Ca -0.03 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.27 1crr n ASP 47 Cb 0.09 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.44 1.38 3.50 0.44 0.00 -1.26 -5.12 105.19 102.68 1crr n GLY 48 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1crr n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1crr s GLU 49 N 0.00 2.12 0.09 1.61 1.03 -1.26 -5.12 118.70 117.18 1crr s GLU 49 Ca 0.00 -0.97 -0.01 0.00 0.03 0.00 0.00 54.97 54.02 1crr s GLU 49 Cb 0.00 -2.24 -0.04 0.00 -0.80 0.00 0.00 34.13 31.04 1crr s GLU 49 CO 0.00 0.54 0.26 0.99 -1.33 0.00 0.00 175.26 175.71 1crr s THR 50 N -1.00 5.33 -0.29 1.83 2.01 -1.26 -1.95 115.64 120.31 1crr s THR 50 Ca 0.16 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 1crr s THR 50 Cb -0.11 -3.65 0.11 0.00 0.01 0.00 0.00 72.50 68.86 1crr s THR 50 CO 0.07 0.08 0.74 0.00 -0.69 0.00 0.00 174.62 174.82 1crr s LEU 52 N 1.95 3.32 -0.26 0.00 1.43 -0.40 -4.20 118.68 120.51 1crr s LEU 52 Ca -0.08 2.33 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 1crr s LEU 52 Cb -0.07 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.66 1crr s LEU 52 CO -0.19 -2.22 0.11 -0.76 0.23 0.00 0.00 176.35 173.52 1crr s LEU 53 N -5.13 0.85 -1.23 1.79 1.43 -0.89 -2.65 118.68 112.86 1crr s LEU 53 Ca 0.74 -1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 1crr s LEU 53 Cb -0.29 -0.44 0.12 0.00 0.03 0.00 0.00 46.19 45.61 1crr s LEU 53 CO 0.45 -0.41 1.56 -0.62 0.23 0.00 0.00 176.35 177.56 1crr s ASP 54 N 2.00 6.93 0.60 2.29 2.15 -0.61 -2.44 116.67 127.58 1crr s ASP 54 Ca 0.07 -2.65 -0.19 0.00 0.43 0.00 0.00 52.55 50.21 1crr s ASP 54 Cb -0.16 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1crr s ASP 54 CO -0.28 -0.98 1.26 -0.63 -0.17 0.00 0.00 175.17 174.37 1crr s ILE 55 N 2.96 2.37 -0.21 4.11 1.09 0.13 -2.61 121.20 129.05 1crr s ILE 55 Ca 0.48 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 60.27 1crr s ILE 55 Cb 0.00 -3.10 0.05 0.00 -1.06 0.00 0.00 42.46 38.35 1crr s ILE 55 CO 0.03 -0.04 -0.06 -0.22 -0.10 0.00 0.00 174.94 174.54 1crr s LEU 56 N -4.03 2.24 0.11 2.97 2.96 -1.00 -2.62 118.68 119.31 1crr s LEU 56 Ca 0.78 -0.98 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1crr s LEU 56 Cb -0.34 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1crr s LEU 56 CO 0.37 -0.20 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.45 1crr s ASP 57 N 1.46 4.17 -0.07 3.68 -1.08 -1.26 -2.56 116.67 121.02 1crr s ASP 57 Ca -0.03 -0.47 0.03 0.00 -0.52 0.00 0.00 52.55 51.55 1crr s ASP 57 Cb -0.17 -0.71 -0.02 0.00 -1.46 0.00 0.00 42.92 40.56 1crr s ASP 57 CO -0.07 0.17 -0.14 0.42 0.52 0.00 0.00 175.17 176.07 1crr s THR 58 N -1.22 3.05 0.00 1.71 -4.23 -1.26 -4.67 115.64 109.02 1crr s THR 58 Ca 0.20 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1crr s THR 58 Cb -0.11 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1crr s THR 58 CO 0.12 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.78 1crr n ALA 59 N 2.65 0.00 -1.00 3.99 0.00 -1.26 -4.94 120.51 119.94 1crr n ALA 59 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1crr n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 5.00 -2.08 2.37 0.00 0.00 -1.26 -4.99 105.19 104.23 1crr n GLY 60 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1crr n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1crr n GLN 61 N 0.00 -5.09 -1.13 1.61 6.02 -1.26 -4.85 117.38 112.67 1crr n GLN 61 Ca 0.00 3.71 -0.16 0.00 -0.01 0.00 0.00 57.00 60.55 1crr n GLN 61 Cb 0.00 -4.74 0.24 0.00 1.02 0.00 0.00 30.24 26.76 1crr n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1crr n GLU 62 N 1.80 2.93 -2.50 -1.09 1.02 -1.26 -4.96 120.64 116.59 1crr n GLU 62 Ca -0.05 -3.01 -0.26 0.00 -0.02 0.00 0.00 57.16 53.83 1crr n GLU 62 Cb 0.08 -2.19 0.03 0.00 -0.02 0.00 0.00 31.44 29.34 1crr n GLU 62 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1crr s GLU 63 N -3.12 2.86 0.99 3.49 2.12 -1.26 -5.05 118.70 118.74 1crr s GLU 63 Ca 0.56 -0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.61 1crr s GLU 63 Cb 0.46 -2.33 0.14 0.00 0.26 0.00 0.00 34.13 32.66 1crr s GLU 63 CO 0.12 -0.67 0.85 2.48 -0.54 0.00 0.00 175.26 177.51 1crr n TYR 64 N -2.51 -0.26 0.00 5.30 0.18 -1.26 -4.97 117.16 113.64 1crr n TYR 64 Ca 0.04 0.24 0.00 0.00 1.88 0.00 0.00 57.90 60.07 1crr n TYR 64 Cb 0.58 -1.86 0.00 0.00 -0.38 0.00 0.00 39.34 37.68 1crr n TYR 64 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1crr n SER 65 N -3.46 0.00 0.00 9.48 2.88 -1.26 -4.70 113.62 116.56 1crr n SER 65 Ca 0.08 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1crr n SER 65 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1crr n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1crr n ALA 66 N -1.89 0.00 -0.17 -1.46 0.00 -1.26 -3.13 120.51 112.60 1crr n ALA 66 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1crr n ALA 66 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 0.29 -0.37 0.00 4.05 -2.00 -0.44 114.93 116.47 1crr h MET 67 Ca 0.00 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1crr h MET 67 Cb 0.00 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1crr h MET 67 CO 0.00 0.19 0.25 -0.09 0.23 0.00 0.00 176.91 177.49 1crr h ARG 68 N 0.30 0.33 -0.01 0.39 2.43 -1.88 -0.62 114.38 115.32 1crr h ARG 68 Ca 0.26 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1crr h ARG 68 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1crr h ARG 68 CO -0.30 0.22 -0.74 0.22 -1.51 0.00 0.00 179.97 177.86 1crr h ASP 69 N 0.34 0.06 0.12 -3.80 1.82 -1.36 -2.88 116.42 110.72 1crr h ASP 69 Ca 0.15 -0.04 -0.15 0.00 -0.39 0.00 0.00 57.03 56.60 1crr h ASP 69 Cb 0.19 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1crr h ASP 69 CO -0.03 0.77 -0.52 1.56 -1.61 0.00 0.00 179.24 179.41 1crr h GLN 70 N 0.03 0.44 -0.01 0.28 1.08 -0.27 -2.93 115.11 113.73 1crr h GLN 70 Ca -0.01 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 1crr h GLN 70 Cb 1.30 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 1crr h GLN 70 CO 0.10 0.86 -0.62 1.88 -0.95 0.00 0.00 178.83 180.10 1crr h TYR 71 N 0.35 0.05 0.00 2.96 0.05 -1.34 -2.18 116.97 116.86 1crr h TYR 71 Ca 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1crr h TYR 71 Cb 1.03 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1crr h TYR 71 CO 0.03 0.65 0.00 0.52 -1.05 0.00 0.00 178.16 178.31 1crr h MET 72 N 0.03 0.00 0.00 4.88 2.86 -1.32 -1.23 114.93 120.15 1crr h MET 72 Ca -0.01 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 1crr h MET 72 Cb 1.10 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1crr h MET 72 CO 0.08 0.00 -2.21 -2.13 1.06 0.00 0.00 176.91 173.71 1crr n ARG 73 N -2.55 0.68 -0.06 1.72 0.00 -0.89 -4.54 116.66 111.02 1crr n ARG 73 Ca -0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.85 57.74 1crr n ARG 73 Cb 0.16 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.08 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 -2.70 5.15 1.35 -0.87 -3.48 112.91 112.37 1crr h THR 74 Ca -0.33 -0.97 -0.32 0.00 -0.55 0.00 0.00 66.41 64.25 1crr h THR 74 Cb 1.75 0.00 0.19 0.00 -1.73 0.00 0.00 68.15 68.36 1crr h THR 74 CO 0.02 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 175.75 1crr n GLY 75 N 1.67 -3.94 0.00 5.82 0.00 -0.51 -5.00 105.19 103.22 1crr n GLY 75 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -5.37 0.00 -2.57 1.61 4.71 -1.22 -4.91 120.64 112.87 1crr n GLU 76 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.87 1crr n GLU 76 Cb 0.53 -0.49 -0.05 0.00 -1.01 0.00 0.00 31.44 30.42 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 -2.64 2.99 -0.32 0.62 0.00 -0.83 -4.18 107.32 102.96 1crr s GLY 77 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.52 1crr s GLY 77 CO 0.00 1.49 0.04 -1.36 0.00 0.00 0.00 173.10 173.27 1crr s PHE 78 N -0.69 3.29 -1.06 1.90 0.40 -1.13 0.45 117.98 121.14 1crr s PHE 78 Ca 0.46 -2.66 -0.13 0.00 -0.60 0.00 0.00 56.93 54.00 1crr s PHE 78 Cb -0.29 -2.56 0.20 0.00 0.51 0.00 0.00 43.02 40.89 1crr s PHE 78 CO 0.36 -0.92 1.17 -1.17 0.70 0.00 0.00 175.22 175.35 1crr s LEU 79 N 1.07 5.71 -0.88 -0.37 2.96 -1.03 -1.80 118.68 124.34 1crr s LEU 79 Ca 0.08 -2.93 -0.25 0.00 -0.22 0.00 0.00 54.13 50.81 1crr s LEU 79 Cb -0.19 -2.31 -0.08 0.00 0.50 0.00 0.00 46.19 44.11 1crr s LEU 79 CO -0.11 -0.65 2.10 0.00 -1.32 0.00 0.00 176.35 176.38 1crr s VAL 81 N 11.79 3.89 -0.22 0.00 1.01 -0.76 -2.34 120.40 133.76 1crr s VAL 81 Ca 0.78 0.88 0.02 0.00 0.00 0.00 0.00 61.98 63.66 1crr s VAL 81 Cb -0.09 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1crr s VAL 81 CO 0.03 -0.88 -0.15 0.72 0.00 0.00 0.00 175.10 174.82 1crr s PHE 82 N 5.54 3.05 -0.18 5.22 -0.71 -0.92 -3.01 117.98 126.97 1crr s PHE 82 Ca 0.58 -2.03 -0.29 0.00 -1.04 0.00 0.00 56.93 54.16 1crr s PHE 82 Cb -0.12 -1.92 -0.04 0.00 -1.21 0.00 0.00 43.02 39.72 1crr s PHE 82 CO 0.31 -0.85 1.84 0.00 -1.34 0.00 0.00 175.22 175.18 1crr s ALA 83 N 1.19 3.16 0.51 1.99 0.00 -1.26 -1.91 121.76 125.44 1crr s ALA 83 Ca -0.03 0.69 0.21 0.00 0.00 0.00 0.00 51.96 52.83 1crr s ALA 83 Cb -0.17 -3.92 1.41 0.00 0.00 0.00 0.00 23.12 20.44 1crr s ALA 83 CO -0.09 -2.14 2.14 -0.84 0.00 0.00 0.00 175.76 174.83 1crr h ILE 84 N 6.35 0.83 0.00 0.00 -0.00 -1.62 -1.51 117.51 121.56 1crr h ILE 84 Ca -0.38 -0.20 -0.12 0.00 -0.00 0.00 0.00 64.86 64.16 1crr h ILE 84 Cb 1.19 1.11 -0.02 0.00 -0.00 0.00 0.00 36.82 39.11 1crr h ILE 84 CO 0.98 0.05 -0.55 -1.13 -0.00 0.00 0.00 178.15 177.50 1crr h ASN 85 N 0.00 0.00 -3.57 2.16 -0.73 -1.81 -2.56 115.58 109.08 1crr h ASN 85 Ca -0.00 0.00 -0.69 0.00 1.87 0.00 0.00 56.30 57.48 1crr h ASN 85 Cb 0.11 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 38.52 1crr h ASN 85 CO 0.01 0.55 -0.23 0.21 -0.37 0.00 0.00 177.43 177.60 1crr s ASN 86 N -6.84 6.19 0.42 1.15 3.84 -0.57 -4.42 114.94 114.71 1crr s ASN 86 Ca -0.02 -0.56 0.10 0.00 0.21 0.00 0.00 52.86 52.60 1crr s ASN 86 Cb 0.13 -2.22 0.90 0.00 -0.55 0.00 0.00 41.25 39.51 1crr s ASN 86 CO 0.75 -0.51 1.99 0.74 -2.79 0.00 0.00 177.10 177.27 1crr h THR 87 N 5.68 1.13 -0.06 -5.21 2.02 -1.78 -1.86 112.91 112.82 1crr h THR 87 Ca -0.27 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1crr h THR 87 Cb 1.12 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1crr h THR 87 CO 0.77 0.17 0.05 0.50 0.37 0.00 0.00 175.52 177.38 1crr h LYS 88 N 0.23 0.00 -0.85 6.66 3.64 -1.91 -1.08 116.57 123.27 1crr h LYS 88 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1crr h LYS 88 Cb 0.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1crr h LYS 88 CO 0.01 0.00 0.42 0.77 -2.27 0.00 0.00 179.45 178.37 1crr h SER 89 N 0.00 1.10 0.17 4.20 0.02 -1.58 -1.18 113.55 116.28 1crr h SER 89 Ca 0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1crr h SER 89 Cb 0.13 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1crr h SER 89 CO -0.00 0.92 -0.08 0.15 -1.14 0.00 0.00 176.83 176.68 1crr h PHE 90 N 1.20 -0.22 -0.04 3.45 3.57 -1.30 -1.48 116.94 122.12 1crr h PHE 90 Ca 0.29 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1crr h PHE 90 Cb 0.10 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1crr h PHE 90 CO 0.01 -0.00 0.10 0.93 -2.23 0.00 0.00 178.31 177.12 1crr h GLU 91 N -0.40 0.00 0.12 1.11 5.08 -1.34 -0.38 114.58 118.78 1crr h GLU 91 Ca -0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 1crr h GLU 91 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1crr h GLU 91 CO 0.04 0.00 -1.22 -0.44 -1.00 0.00 0.00 179.01 176.39 1crr h ASP 92 N 0.00 0.50 0.17 1.42 5.19 -0.29 -3.21 116.42 120.20 1crr h ASP 92 Ca 0.02 -0.51 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1crr h ASP 92 Cb 0.22 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1crr h ASP 92 CO -0.00 1.38 -0.13 0.40 -3.12 0.00 0.00 179.24 177.77 1crr h ILE 93 N 0.11 0.98 0.65 0.35 1.08 -0.10 0.86 117.51 121.44 1crr h ILE 93 Ca -0.14 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 1crr h ILE 93 Cb 1.93 1.27 0.01 0.00 -3.07 0.00 0.00 36.82 36.96 1crr h ILE 93 CO 0.21 0.13 -0.31 -0.74 -0.69 0.00 0.00 178.15 176.75 1crr h HIS 94 N 0.00 -0.81 0.00 1.37 2.76 -1.53 -0.66 115.15 116.28 1crr h HIS 94 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1crr h HIS 94 Cb 0.26 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1crr h HIS 94 CO 0.00 -0.50 0.00 1.04 -1.30 0.00 0.00 177.93 177.17 1crr n GLN 95 N -4.75 0.09 0.07 5.26 1.13 -1.13 -1.97 117.38 116.08 1crr n GLN 95 Ca -0.11 0.20 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 1crr n GLN 95 Cb 0.34 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.16 1crr n GLN 95 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1crr h TYR 96 N 0.00 0.00 -0.42 1.08 0.05 -0.59 -3.31 116.97 113.79 1crr h TYR 96 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1crr h TYR 96 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1crr h TYR 96 CO 0.00 0.28 0.00 -2.13 -1.05 0.00 0.00 178.16 175.26 1crr n ARG 97 N -2.79 3.29 -0.01 4.88 0.63 -0.28 -3.81 116.66 118.57 1crr n ARG 97 Ca -0.04 -2.05 -0.01 0.00 -0.92 0.00 0.00 57.85 54.82 1crr n ARG 97 Cb 0.69 -1.87 -0.01 0.00 0.45 0.00 0.00 32.46 31.71 1crr n ARG 97 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1crr n GLU 98 N 0.55 2.02 0.17 -0.14 -0.00 -1.23 -4.46 120.64 117.56 1crr n GLU 98 Ca 0.18 0.01 0.03 0.00 -0.00 0.00 0.00 57.16 57.38 1crr n GLU 98 Cb 0.78 -1.04 0.28 0.00 -0.00 0.00 0.00 31.44 31.45 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 0.00 -0.37 3.44 4.15 -1.69 -1.49 115.11 119.15 1crr h GLN 99 Ca -0.05 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1crr h GLN 99 Cb 1.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1crr h GLN 99 CO -0.00 0.46 -0.33 0.82 -1.93 0.00 0.00 178.83 177.84 1crr h ILE 100 N 0.00 1.28 0.00 2.39 2.04 -1.81 -1.42 117.51 119.99 1crr h ILE 100 Ca -0.00 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.30 1crr h ILE 100 Cb 0.96 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1crr h ILE 100 CO 0.06 0.50 -0.30 0.11 0.00 0.00 0.00 178.15 178.51 1crr h LYS 101 N 0.69 0.00 0.77 2.37 1.57 -1.67 -2.89 116.57 117.41 1crr h LYS 101 Ca 0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1crr h LYS 101 Cb 0.89 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.21 1crr h LYS 101 CO 0.08 0.30 -0.37 -0.09 -0.57 0.00 0.00 179.45 178.80 1crr h ARG 102 N 0.00 -1.00 0.00 3.15 2.43 -0.25 0.38 114.38 119.10 1crr h ARG 102 Ca -0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1crr h ARG 102 Cb 0.60 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1crr h ARG 102 CO 0.04 -0.66 0.00 0.28 -1.51 0.00 0.00 179.97 178.12 1crr n VAL 103 N -5.47 0.00 0.28 0.20 0.31 -0.75 -1.55 118.33 111.35 1crr n VAL 103 Ca -0.13 1.43 0.17 0.00 -0.01 0.00 0.00 64.34 65.79 1crr n VAL 103 Cb 0.41 -2.23 0.85 0.00 -0.91 0.00 0.00 33.84 31.96 1crr n VAL 103 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1crr h LYS 104 N 0.00 0.00 -5.82 5.55 1.79 -1.66 -3.46 116.57 112.98 1crr h LYS 104 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1crr h LYS 104 Cb 0.00 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 30.79 1crr h LYS 104 CO 0.00 0.00 -0.70 -3.47 -1.08 0.00 0.00 179.45 174.20 1crr n ASP 105 N -2.72 -5.63 -3.25 0.86 -0.08 0.13 -4.96 116.55 100.89 1crr n ASP 105 Ca -0.01 -0.56 -0.06 0.00 -1.51 0.00 0.00 54.79 52.65 1crr n ASP 105 Cb 0.12 -5.05 0.01 0.00 2.34 0.00 0.00 41.12 38.54 1crr n ASP 105 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1crr s SER 106 N -3.50 -0.05 -0.51 1.67 0.01 -0.84 -5.00 113.70 105.48 1crr s SER 106 Ca 0.49 -0.88 0.07 0.00 1.31 0.00 0.00 55.95 56.95 1crr s SER 106 Cb -0.22 0.71 0.29 0.00 0.21 0.00 0.00 66.02 67.01 1crr s SER 106 CO 0.73 -1.38 0.74 -0.90 0.41 0.00 0.00 173.24 172.84 1crr n ASP 107 N -1.14 2.47 -2.71 2.44 5.75 -1.26 -4.35 116.55 117.75 1crr n ASP 107 Ca -0.06 -3.24 -0.05 0.00 -0.01 0.00 0.00 54.79 51.43 1crr n ASP 107 Cb 0.60 -0.62 0.09 0.00 -1.03 0.00 0.00 41.12 40.15 1crr n ASP 107 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1crr n ASP 108 N 0.58 -0.40 -4.91 -1.12 8.00 -1.26 -5.12 116.55 112.33 1crr n ASP 108 Ca 0.27 -2.40 -0.30 0.00 0.71 0.00 0.00 54.79 53.07 1crr n ASP 108 Cb 0.49 0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 41.86 1crr n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1crr s VAL 109 N -1.30 5.12 -1.07 2.53 1.01 -1.26 -4.96 120.40 120.47 1crr s VAL 109 Ca 0.21 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 1crr s VAL 109 Cb 0.41 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1crr s VAL 109 CO -0.06 -0.12 1.93 -2.16 0.00 0.00 0.00 175.10 174.70 1crr s PRO 110 N -3.07 2.54 0.40 2.72 0.05 -1.26 -4.92 135.00 131.46 1crr s PRO 110 Ca 0.42 -0.82 -0.16 0.00 0.05 0.00 0.00 61.00 60.49 1crr s PRO 110 Cb -0.11 -5.17 -0.09 0.00 0.05 0.00 0.00 34.50 29.18 1crr s PRO 110 CO 0.27 -3.71 0.83 1.41 0.05 0.00 0.00 177.00 175.85 1crr s MET 111 N 6.66 4.00 -0.30 4.56 1.75 -1.26 -2.83 119.30 131.87 1crr s MET 111 Ca 0.69 0.77 0.03 0.00 -1.25 0.00 0.00 55.69 55.93 1crr s MET 111 Cb -0.03 -2.32 0.17 0.00 2.84 0.00 0.00 34.83 35.49 1crr s MET 111 CO 0.07 0.00 0.44 0.08 -0.65 0.00 0.00 175.02 174.97 1crr s VAL 112 N -2.21 -0.69 -0.46 10.11 1.01 -0.75 -4.27 120.40 123.15 1crr s VAL 112 Ca 0.56 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1crr s VAL 112 Cb -0.10 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1crr s VAL 112 CO 0.22 -0.25 1.11 -0.22 0.00 0.00 0.00 175.10 175.96 1crr s LEU 113 N 2.52 3.71 -0.24 3.92 2.96 -0.99 -2.20 118.68 128.37 1crr s LEU 113 Ca 0.10 0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1crr s LEU 113 Cb -0.12 -3.51 0.03 0.00 0.50 0.00 0.00 46.19 43.09 1crr s LEU 113 CO -0.28 -1.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 172.77 1crr s VAL 114 N 4.29 2.57 -0.39 1.68 1.01 -0.99 -2.19 120.40 126.37 1crr s VAL 114 Ca 0.46 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 1crr s VAL 114 Cb -0.08 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1crr s VAL 114 CO 0.29 0.22 0.99 -0.83 0.00 0.00 0.00 175.10 175.77 1crr s GLY 115 N 1.27 1.51 0.57 4.51 0.00 -0.92 -2.16 107.32 112.10 1crr s GLY 115 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1crr s GLY 115 CO -0.06 2.13 0.86 0.21 0.00 0.00 0.00 173.10 176.23 1crr s ASN 116 N 1.99 5.57 -0.68 1.64 3.84 -0.81 -0.15 114.94 126.36 1crr s ASN 116 Ca 0.41 0.58 -0.03 0.00 0.21 0.00 0.00 52.86 54.03 1crr s ASN 116 Cb -0.11 -1.59 -0.03 0.00 -0.55 0.00 0.00 41.25 38.97 1crr s ASN 116 CO 0.21 -1.03 0.61 0.29 -2.79 0.00 0.00 177.10 174.39 1crr n LYS 117 N -2.50 -1.36 -0.08 0.43 5.02 0.31 -2.18 118.16 117.80 1crr n LYS 117 Ca 0.04 0.90 0.03 0.00 -2.02 0.00 0.00 58.31 57.26 1crr n LYS 117 Cb 0.58 -4.68 0.07 0.00 -0.02 0.00 0.00 35.03 30.98 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1crr n ASP 119 N -0.31 3.76 -4.52 0.00 5.75 -1.26 -4.93 116.55 115.03 1crr n ASP 119 Ca 0.06 -3.29 -0.25 0.00 -0.01 0.00 0.00 54.79 51.31 1crr n ASP 119 Cb 0.38 -0.77 -0.10 0.00 -1.03 0.00 0.00 41.12 39.60 1crr n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1crr s LEU 120 N -2.71 2.72 -0.06 -2.12 1.02 -1.26 -5.05 118.68 111.22 1crr s LEU 120 Ca 0.47 -1.05 -0.13 0.00 0.02 0.00 0.00 54.13 53.45 1crr s LEU 120 Cb 0.39 -1.14 -0.30 0.00 0.02 0.00 0.00 46.19 45.16 1crr s LEU 120 CO 0.10 -0.07 0.66 0.00 0.02 0.00 0.00 176.35 177.05 1crr h ALA 121 N 2.11 0.14 -0.72 4.21 0.00 -1.99 -3.41 119.26 119.59 1crr h ALA 121 Ca -0.41 -1.10 -0.30 0.00 0.00 0.00 0.00 54.91 53.10 1crr h ALA 121 Cb 1.26 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1crr h ALA 121 CO 0.64 0.94 0.75 0.00 0.00 0.00 0.00 179.25 181.58 1crr s ALA 122 N -2.55 1.68 -0.53 0.00 0.00 -1.26 -4.91 121.76 114.20 1crr s ALA 122 Ca -0.17 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.10 1crr s ALA 122 Cb 0.05 -4.56 0.11 0.00 0.00 0.00 0.00 23.12 18.72 1crr s ALA 122 CO 0.83 -4.80 0.52 0.50 0.00 0.00 0.00 175.76 172.82 1crr s ARG 123 N 6.96 3.01 0.28 0.00 3.52 -1.26 -4.73 118.95 126.73 1crr s ARG 123 Ca 0.70 -1.51 0.10 0.00 -0.13 0.00 0.00 55.73 54.89 1crr s ARG 123 Cb -0.06 -4.24 0.39 0.00 -1.56 0.00 0.00 34.95 29.48 1crr s ARG 123 CO -0.01 -1.30 1.64 1.79 -0.81 0.00 0.00 175.30 176.61 1crr h THR 124 N 5.87 1.42 -3.34 4.11 1.35 -1.77 -3.38 112.91 117.16 1crr h THR 124 Ca -0.29 -2.00 -0.72 0.00 -0.55 0.00 0.00 66.41 62.84 1crr h THR 124 Cb 1.10 2.07 -0.29 0.00 -1.73 0.00 0.00 68.15 69.31 1crr h THR 124 CO 1.01 0.57 -0.41 -0.69 -0.25 0.00 0.00 175.52 175.75 1crr s VAL 125 N -3.70 4.24 0.75 6.82 1.01 -0.96 -4.97 120.40 123.60 1crr s VAL 125 Ca -0.02 -1.66 -0.13 0.00 0.00 0.00 0.00 61.98 60.18 1crr s VAL 125 Cb 0.13 -3.74 0.20 0.00 0.00 0.00 0.00 36.38 32.97 1crr s VAL 125 CO 0.76 -0.70 0.45 -1.84 0.00 0.00 0.00 175.10 173.77 1crr n GLU 126 N 4.92 -3.47 -1.23 2.72 0.28 -1.26 -4.89 120.64 117.72 1crr n GLU 126 Ca -0.09 -0.75 -0.24 0.00 -0.16 0.00 0.00 57.16 55.92 1crr n GLU 126 Cb 0.41 -0.97 0.16 0.00 1.43 0.00 0.00 31.44 32.47 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 -4.45 4.48 0.05 -1.84 7.64 -1.26 -4.28 113.62 113.96 1crr n SER 127 Ca 0.07 -3.67 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1crr n SER 127 Cb 0.31 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.09 0.00 -0.02 1.43 3.00 -1.26 -4.50 116.66 114.22 1crr n ARG 128 Ca 0.58 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.51 1crr n ARG 128 Cb 1.39 -0.40 0.48 0.00 0.00 0.00 0.00 32.46 33.93 1crr n ARG 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1crr h GLN 129 N 0.00 0.43 -0.45 -0.14 3.07 -1.96 -0.49 115.11 115.57 1crr h GLN 129 Ca 0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 58.65 58.58 1crr h GLN 129 Cb 0.27 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1crr h GLN 129 CO 0.00 0.28 -0.26 0.00 0.09 0.00 0.00 178.83 178.94 1crr h ALA 130 N 1.74 0.69 0.00 0.06 0.00 -1.85 -2.42 119.26 117.48 1crr h ALA 130 Ca 0.20 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1crr h ALA 130 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1crr h ALA 130 CO -0.05 0.67 -0.22 1.96 0.00 0.00 0.00 179.25 181.62 1crr h GLN 131 N 0.81 0.00 0.00 0.00 4.20 -1.35 -2.30 115.11 116.47 1crr h GLN 131 Ca 0.10 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.61 1crr h GLN 131 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1crr h GLN 131 CO 0.07 0.22 -0.88 -0.44 -0.67 0.00 0.00 178.83 177.13 1crr h ASP 132 N 0.00 0.29 0.14 1.46 5.19 -0.86 -2.06 116.42 120.59 1crr h ASP 132 Ca -0.00 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1crr h ASP 132 Cb 0.46 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1crr h ASP 132 CO 0.03 1.04 -0.07 0.25 -3.12 0.00 0.00 179.24 177.37 1crr h LEU 133 N 0.13 -0.16 -0.08 1.55 5.85 -1.05 -2.93 115.31 118.61 1crr h LEU 133 Ca -0.05 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1crr h LEU 133 Cb 1.51 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1crr h LEU 133 CO 0.14 0.39 0.02 0.00 -0.34 0.00 0.00 178.44 178.65 1crr h ALA 134 N -0.76 0.08 -0.33 1.25 0.00 -1.57 -1.44 119.26 116.50 1crr h ALA 134 Ca -0.02 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1crr h ALA 134 Cb 0.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1crr h ALA 134 CO 0.03 -0.45 0.31 -0.09 0.00 0.00 0.00 179.25 179.06 1crr h ARG 135 N 0.06 0.00 -0.38 0.00 2.43 -1.51 0.08 114.38 115.06 1crr h ARG 135 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1crr h ARG 135 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1crr h ARG 135 CO -0.04 0.00 0.08 1.03 -1.51 0.00 0.00 179.97 179.52 1crr h SER 136 N 0.00 0.59 -0.07 -3.80 0.87 -1.06 -2.23 113.55 107.85 1crr h SER 136 Ca 0.16 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1crr h SER 136 Cb 0.78 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1crr h SER 136 CO -0.00 0.68 0.00 -1.22 -0.53 0.00 0.00 176.83 175.76 1crr n TYR 137 N -4.56 0.09 -3.51 2.24 4.02 -0.06 -4.90 117.16 110.47 1crr n TYR 137 Ca -0.01 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.62 1crr n TYR 137 Cb 0.22 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.61 1crr n TYR 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1crr n GLY 138 N 0.97 -0.44 3.52 2.72 0.00 -0.72 -5.00 105.19 106.24 1crr n GLY 138 Ca 0.16 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.30 3.05 0.42 -0.61 -4.36 -1.00 -5.02 121.20 110.37 1crr s ILE 139 Ca 0.52 -1.32 -0.25 0.00 -0.26 0.00 0.00 60.65 59.34 1crr s ILE 139 Cb -0.23 -2.38 -0.08 0.00 1.25 0.00 0.00 42.46 41.02 1crr s ILE 139 CO 0.68 0.17 1.29 -2.16 0.24 0.00 0.00 174.94 175.16 1crr s PRO 140 N -1.97 3.90 -0.07 0.37 0.04 -1.26 -4.34 135.00 131.67 1crr s PRO 140 Ca 0.18 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.38 1crr s PRO 140 Cb -0.11 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1crr s PRO 140 CO 0.10 -0.54 -0.16 -0.47 0.04 0.00 0.00 177.00 175.97 1crr s TYR 141 N -1.29 2.67 0.28 0.56 5.04 -1.26 -2.34 117.35 121.01 1crr s TYR 141 Ca 0.58 -0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1crr s TYR 141 Cb -0.37 -1.66 -0.02 0.00 0.35 0.00 0.00 41.96 40.26 1crr s TYR 141 CO 0.47 0.04 0.32 0.42 -1.34 0.00 0.00 175.55 175.47 1crr s ILE 142 N -0.43 0.00 0.38 3.14 1.01 -0.93 -5.02 121.20 119.34 1crr s ILE 142 Ca 0.05 -1.79 0.08 0.00 0.00 0.00 0.00 60.65 58.99 1crr s ILE 142 Cb -0.12 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 1crr s ILE 142 CO 0.02 0.00 0.10 -1.61 0.00 0.00 0.00 174.94 173.45 1crr s GLU 143 N -3.64 2.15 -0.01 2.79 2.02 -1.26 -2.16 118.70 118.59 1crr s GLU 143 Ca 0.34 -1.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 1crr s GLU 143 Cb 0.02 -1.93 0.08 0.00 0.10 0.00 0.00 34.13 32.40 1crr s GLU 143 CO 0.18 -0.01 0.72 0.95 0.02 0.00 0.00 175.26 177.12 1crr s THR 144 N -2.57 0.00 -0.29 3.63 -4.23 0.79 -4.26 115.64 108.71 1crr s THR 144 Ca 0.38 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1crr s THR 144 Cb 0.03 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 73.06 1crr s THR 144 CO 0.21 0.00 0.76 -0.55 -0.54 0.00 0.00 174.62 174.50 1crr s SER 145 N -1.65 -1.16 0.22 3.99 0.15 0.18 -0.53 113.70 114.90 1crr s SER 145 Ca -0.06 0.20 0.19 0.00 0.70 0.00 0.00 55.95 56.98 1crr s SER 145 Cb -0.00 1.76 0.90 0.00 -1.71 0.00 0.00 66.02 66.97 1crr s SER 145 CO 0.02 -0.21 1.58 0.00 1.20 0.00 0.00 173.24 175.83 1crr n ALA 146 N 5.32 1.35 1.14 5.45 0.00 -1.26 -2.08 120.51 130.43 1crr n ALA 146 Ca 0.05 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1crr n ALA 146 Cb 0.55 -1.30 0.57 0.00 0.00 0.00 0.00 19.45 19.27 1crr n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1crr n LYS 147 N -2.08 0.45 -0.68 0.00 4.81 -1.26 -3.96 118.16 115.44 1crr n LYS 147 Ca 0.01 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1crr n LYS 147 Cb 0.12 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.17 0.00 -2.69 3.15 5.66 -0.94 -4.98 114.28 113.31 1crr n THR 148 Ca 0.12 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1crr n THR 148 Cb 0.13 0.23 -0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1crr n THR 148 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1crr n ARG 149 N 0.00 -2.63 -3.18 1.09 3.00 -0.88 -4.89 116.66 109.16 1crr n ARG 149 Ca -0.13 0.51 -0.41 0.00 -0.01 0.00 0.00 57.85 57.80 1crr n ARG 149 Cb 0.48 -5.13 -0.07 0.00 0.00 0.00 0.00 32.46 27.75 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 -5.28 3.68 0.00 5.56 2.00 -0.96 -4.01 119.66 120.65 1crr s GLN 150 Ca 0.10 -0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.44 1crr s GLN 150 Cb -0.05 -3.80 0.00 0.00 0.80 0.00 0.00 33.01 29.96 1crr s GLN 150 CO 0.13 -0.66 0.00 0.41 -0.50 0.00 0.00 175.29 174.67 1crr n GLY 151 N 4.70 3.14 0.34 2.59 0.00 -1.26 0.49 105.19 115.19 1crr n GLY 151 Ca -0.03 0.00 0.11 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 0.93 0.00 1.61 2.07 -1.75 -1.73 116.25 117.38 1crr h VAL 152 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1crr h VAL 152 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1crr h VAL 152 CO 0.00 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.04 1crr n GLU 153 N -4.47 0.00 0.31 1.57 1.02 -1.26 -2.66 120.64 115.15 1crr n GLU 153 Ca 0.07 0.20 0.19 0.00 -0.02 0.00 0.00 57.16 57.60 1crr n GLU 153 Cb 0.31 -1.17 0.99 0.00 -0.02 0.00 0.00 31.44 31.55 1crr n GLU 153 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1crr h ASP 154 N 0.00 0.00 0.00 1.62 3.04 -1.93 -2.09 116.42 117.05 1crr h ASP 154 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1crr h ASP 154 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1crr h ASP 154 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 1crr n ALA 155 N -1.96 -0.35 -0.07 4.15 0.00 -0.65 -1.85 120.51 119.78 1crr n ALA 155 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1crr n ALA 155 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 0.44 -0.13 0.00 0.04 -1.45 -2.78 116.94 113.06 1crr h PHE 156 Ca 0.00 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.72 1crr h PHE 156 Cb 0.00 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 1crr h PHE 156 CO 0.16 0.63 -0.17 1.88 -0.60 0.00 0.00 178.31 180.20 1crr h TYR 157 N 0.13 -0.45 -0.22 -0.55 0.05 -1.52 -1.27 116.97 113.14 1crr h TYR 157 Ca 0.05 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1crr h TYR 157 Cb 0.48 0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1crr h TYR 157 CO 0.05 -0.25 0.09 1.15 -1.05 0.00 0.00 178.16 178.15 1crr h THR 158 N -0.22 1.09 -0.05 -2.88 2.02 -1.40 -2.19 112.91 109.28 1crr h THR 158 Ca 0.10 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1crr h THR 158 Cb 0.36 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1crr h THR 158 CO -0.26 0.10 0.03 0.25 0.37 0.00 0.00 175.52 176.01 1crr h LEU 159 N 0.30 0.06 -1.45 2.58 6.46 -0.95 -2.27 115.31 120.05 1crr h LEU 159 Ca 0.08 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1crr h LEU 159 Cb 0.06 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1crr h LEU 159 CO -0.01 0.12 -0.27 0.58 -0.62 0.00 0.00 178.44 178.24 1crr h VAL 160 N -0.00 1.00 0.00 1.05 2.07 -1.08 -2.23 116.25 117.06 1crr h VAL 160 Ca 0.02 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1crr h VAL 160 Cb 0.07 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1crr h VAL 160 CO -0.00 0.27 -0.29 -0.09 0.02 0.00 0.00 177.57 177.48 1crr h ARG 161 N 0.00 0.00 0.15 1.57 2.43 -0.88 -2.32 114.38 115.33 1crr h ARG 161 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1crr h ARG 161 Cb 0.55 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1crr h ARG 161 CO 0.04 0.29 -1.50 0.93 -1.51 0.00 0.00 179.97 178.21 1crr h GLU 162 N 0.00 0.33 -0.21 0.20 3.07 -0.86 -3.21 114.58 113.89 1crr h GLU 162 Ca -0.00 -0.56 -0.13 0.00 -0.50 0.00 0.00 59.36 58.17 1crr h GLU 162 Cb 0.70 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1crr h GLU 162 CO 0.04 1.22 -0.42 0.82 -1.40 0.00 0.00 179.01 179.27 1crr h ILE 163 N 0.09 1.31 0.00 3.13 2.04 -1.39 -2.40 117.51 120.29 1crr h ILE 163 Ca -0.24 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 63.98 1crr h ILE 163 Cb 2.05 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1crr h ILE 163 CO 0.19 0.49 -0.26 -0.09 0.00 0.00 0.00 178.15 178.49 1crr h ARG 164 N 0.41 0.00 0.20 2.37 2.43 -1.52 -2.81 114.38 115.45 1crr h ARG 164 Ca 0.03 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.90 1crr h ARG 164 Cb 0.90 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1crr h ARG 164 CO 0.08 0.26 -1.37 0.37 -1.51 0.00 0.00 179.97 177.80 1crr h GLN 165 N 0.00 0.42 0.00 0.20 4.15 -1.49 -3.52 115.11 114.88 1crr h GLN 165 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 58.70 1crr h GLN 165 Cb 0.62 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1crr h GLN 165 CO 0.03 1.34 0.00 1.58 -1.93 0.00 0.00 178.83 179.86