#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 -3.31 1.12 -1.04 -1.07 -4.96 114.28 105.01 1crr n THR 2 Ca 0.00 -2.20 -0.08 0.00 -2.04 0.00 0.00 64.05 59.74 1crr n THR 2 Cb 0.00 0.90 -0.07 0.00 -1.82 0.00 0.00 70.33 69.34 1crr n THR 2 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1crr s GLU 3 N -3.36 0.39 0.24 -2.82 2.12 -1.26 -2.51 118.70 111.50 1crr s GLU 3 Ca 0.25 0.42 0.11 0.00 0.36 0.00 0.00 54.97 56.12 1crr s GLU 3 Cb 0.01 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 34.04 1crr s GLU 3 CO 0.18 -0.79 -0.21 0.71 -0.54 0.00 0.00 175.26 174.60 1crr s TYR 4 N 2.58 2.24 -0.41 5.30 2.02 -1.10 -5.00 117.35 122.98 1crr s TYR 4 Ca 0.12 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1crr s TYR 4 Cb -0.14 -1.03 0.12 0.00 -0.40 0.00 0.00 41.96 40.51 1crr s TYR 4 CO -0.22 0.61 0.16 0.15 -1.57 0.00 0.00 175.55 174.68 1crr s LYS 5 N -3.19 1.41 0.64 -0.62 1.02 -1.26 -2.37 119.74 115.37 1crr s LYS 5 Ca 0.26 -1.95 -0.16 0.00 0.02 0.00 0.00 55.97 54.14 1crr s LYS 5 Cb -0.06 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1crr s LYS 5 CO 0.12 -1.05 1.13 -0.51 -0.92 0.00 0.00 175.35 174.12 1crr s LEU 6 N 0.58 3.46 -0.35 3.17 1.43 -0.60 -1.85 118.68 124.53 1crr s LEU 6 Ca 0.14 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.35 1crr s LEU 6 Cb -0.22 -4.57 0.12 0.00 0.03 0.00 0.00 46.19 41.55 1crr s LEU 6 CO -0.07 -1.65 0.16 -0.69 0.23 0.00 0.00 176.35 174.34 1crr s VAL 7 N -2.13 0.70 0.27 -1.59 1.01 0.85 -2.08 120.40 117.43 1crr s VAL 7 Ca 0.70 -1.64 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1crr s VAL 7 Cb -0.23 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 1crr s VAL 7 CO 0.39 -0.80 0.81 -0.69 0.00 0.00 0.00 175.10 174.81 1crr s VAL 8 N 1.28 4.44 0.23 2.92 1.01 -1.09 -2.00 120.40 127.19 1crr s VAL 8 Ca 0.13 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1crr s VAL 8 Cb -0.20 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1crr s VAL 8 CO -0.15 0.14 0.50 -0.69 0.00 0.00 0.00 175.10 174.89 1crr s VAL 9 N -1.61 0.01 -5.00 2.92 1.01 -1.13 -4.62 120.40 111.97 1crr s VAL 9 Ca 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1crr s VAL 9 Cb -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1crr s VAL 9 CO 0.21 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1crr n GLY 10 N -0.37 0.05 3.67 4.51 0.00 -1.26 -1.10 105.19 110.70 1crr n GLY 10 Ca -0.04 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.12 1.27 -0.97 4.61 0.00 -1.26 -4.90 121.76 119.39 1crr s ALA 11 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1crr s ALA 11 Cb 0.00 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.96 1crr s ALA 11 CO 0.00 -2.63 2.49 0.41 0.00 0.00 0.00 175.76 176.03 1crr n GLY 12 N -0.47 4.96 0.00 0.00 0.00 -1.26 -3.99 105.19 104.42 1crr n GLY 12 Ca 0.08 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1crr n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1crr n GLY 13 N 1.26 0.00 0.06 -0.02 0.00 -1.26 -5.03 105.19 100.20 1crr n GLY 13 Ca 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 1crr n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1crr n VAL 14 N 0.00 0.79 0.00 1.61 0.24 -1.26 -4.90 118.33 114.82 1crr n VAL 14 Ca 0.00 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1crr n VAL 14 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1crr n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1crr n GLY 15 N 2.29 1.95 0.21 7.63 0.00 -1.26 -4.53 105.19 111.48 1crr n GLY 15 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.71 0.39 1.61 2.10 -1.95 -2.51 116.57 116.92 1crr h LYS 16 Ca 0.00 -0.38 -0.02 0.00 -2.00 0.00 0.00 60.65 58.25 1crr h LYS 16 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1crr h LYS 16 CO 0.00 1.00 -0.19 0.66 -2.00 0.00 0.00 179.45 178.92 1crr h SER 17 N 0.45 -0.45 -1.20 7.07 4.64 -1.96 -2.47 113.55 119.65 1crr h SER 17 Ca 0.04 0.02 0.35 0.00 -0.47 0.00 0.00 61.79 61.73 1crr h SER 17 Cb 0.88 0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 1crr h SER 17 CO 0.07 -0.11 0.87 0.00 -0.87 0.00 0.00 176.83 176.79 1crr h ALA 18 N -1.34 3.13 -0.07 5.18 0.00 -1.89 0.36 119.26 124.63 1crr h ALA 18 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1crr h ALA 18 Cb 0.40 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1crr h ALA 18 CO 0.09 -1.48 -0.10 -0.07 0.00 0.00 0.00 179.25 177.69 1crr h LEU 19 N 0.00 0.21 0.30 0.00 3.38 -1.41 -1.74 115.31 116.05 1crr h LEU 19 Ca 0.57 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1crr h LEU 19 Cb 2.30 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.99 1crr h LEU 19 CO -0.01 0.69 -0.17 0.74 0.09 0.00 0.00 178.44 179.78 1crr h THR 20 N -0.27 0.00 -1.03 0.22 2.02 0.16 -2.48 112.91 111.52 1crr h THR 20 Ca 0.01 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.46 1crr h THR 20 Cb 0.65 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 1crr h THR 20 CO 0.02 0.00 0.69 0.40 0.37 0.00 0.00 175.52 177.01 1crr h ILE 21 N -0.44 0.53 -0.13 3.11 5.03 -1.44 0.10 117.51 124.26 1crr h ILE 21 Ca -0.04 -0.09 0.02 0.00 -0.12 0.00 0.00 64.86 64.62 1crr h ILE 21 Cb 0.35 0.24 -0.02 0.00 -3.03 0.00 0.00 36.82 34.36 1crr h ILE 21 CO 0.05 0.05 0.03 -0.61 -0.68 0.00 0.00 178.15 176.98 1crr h GLN 22 N 0.26 0.08 -0.50 2.37 4.15 -0.95 0.98 115.11 121.51 1crr h GLN 22 Ca 0.55 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.97 1crr h GLN 22 Cb 1.64 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.29 1crr h GLN 22 CO -0.18 0.05 0.33 1.25 -1.93 0.00 0.00 178.83 178.35 1crr h LEU 23 N 0.08 0.56 0.00 -2.39 5.85 -0.54 0.58 115.31 119.45 1crr h LEU 23 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1crr h LEU 23 Cb 0.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1crr h LEU 23 CO -0.07 0.40 0.00 -0.38 -0.34 0.00 0.00 178.44 178.05 1crr n ILE 24 N -4.46 0.00 0.15 4.05 -0.00 -0.76 -4.59 119.36 113.75 1crr n ILE 24 Ca 0.05 0.08 0.01 0.00 -0.00 0.00 0.00 62.75 62.89 1crr n ILE 24 Cb 0.06 -0.46 0.20 0.00 -0.00 0.00 0.00 39.64 39.44 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 -4.30 0.38 4.20 -0.98 -3.49 115.11 110.92 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 0.56 -0.47 -1.71 -0.67 0.00 0.00 178.83 176.53 1crr n ASN 26 N -3.65 -5.57 -3.16 1.46 2.85 0.20 -5.00 115.26 102.39 1crr n ASN 26 Ca -0.01 0.64 0.04 0.00 -0.11 0.00 0.00 54.58 55.15 1crr n ASN 26 Cb 0.61 -3.59 -0.04 0.00 1.24 0.00 0.00 39.78 38.00 1crr n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1crr s HIS 27 N -1.36 -0.02 -0.31 1.20 -3.43 -1.26 -5.01 115.29 105.09 1crr s HIS 27 Ca 0.06 0.03 -0.28 0.00 -0.80 0.00 0.00 55.06 54.07 1crr s HIS 27 Cb -0.02 0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 31.08 1crr s HIS 27 CO 0.46 -0.01 2.28 0.34 -2.00 0.00 0.00 174.74 175.82 1crr n PHE 28 N 4.69 1.77 -3.53 0.38 7.35 -1.26 -4.68 117.46 122.18 1crr n PHE 28 Ca -0.07 -0.03 -0.37 0.00 -0.76 0.00 0.00 57.45 56.23 1crr n PHE 28 Cb 0.56 -2.69 -0.08 0.00 0.35 0.00 0.00 39.48 37.62 1crr n PHE 28 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1crr s VAL 29 N 9.37 5.29 -0.17 -2.13 -7.23 -1.26 -4.95 120.40 119.33 1crr s VAL 29 Ca 1.01 0.51 0.16 0.00 -1.81 0.00 0.00 61.98 61.85 1crr s VAL 29 Cb -0.34 -3.63 0.39 0.00 0.56 0.00 0.00 36.38 33.36 1crr s VAL 29 CO 0.34 0.34 1.25 -0.67 -0.31 0.00 0.00 175.10 176.06 1crr n ASP 30 N 3.95 2.62 0.00 4.85 2.03 -1.26 -4.75 116.55 123.99 1crr n ASP 30 Ca -0.12 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 51.93 1crr n ASP 30 Cb 0.52 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1crr n ASP 30 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1crr n GLU 31 N -1.15 0.00 -0.97 -0.67 0.28 -1.26 -5.03 120.64 111.84 1crr n GLU 31 Ca 0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 57.01 1crr n GLU 31 Cb 0.74 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.64 1crr n GLU 31 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1crr n TYR 32 N 0.00 1.55 -2.85 -1.84 4.11 -1.26 -4.88 117.16 111.98 1crr n TYR 32 Ca 0.00 -1.98 -0.04 0.00 -0.00 0.00 0.00 57.90 55.89 1crr n TYR 32 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 39.34 38.33 1crr n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1crr n ASP 33 N 0.42 -7.70 0.29 9.48 2.03 -1.26 -4.79 116.55 115.01 1crr n ASP 33 Ca 0.33 1.02 0.19 0.00 0.52 0.00 0.00 54.79 56.85 1crr n ASP 33 Cb 0.58 -4.65 0.99 0.00 -0.72 0.00 0.00 41.12 37.32 1crr n ASP 33 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1crr h PRO 34 N 2.86 0.00 -3.47 -0.67 0.11 -2.01 -3.28 132.00 125.54 1crr h PRO 34 Ca -0.03 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.33 1crr h PRO 34 Cb 0.43 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.40 1crr h PRO 34 CO 0.11 0.00 2.15 0.25 -0.21 0.00 0.00 178.00 180.31 1crr n THR 35 N -2.81 4.33 -3.74 -1.15 -2.24 -1.26 -4.78 114.28 102.63 1crr n THR 35 Ca -0.02 -4.27 -0.14 0.00 -2.27 0.00 0.00 64.05 57.34 1crr n THR 35 Cb 0.10 -2.36 -0.15 0.00 -2.10 0.00 0.00 70.33 65.82 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 0.51 -0.07 -0.69 2.28 1.01 -1.24 -5.08 121.20 117.91 1crr s ILE 36 Ca 0.41 0.20 0.05 0.00 0.00 0.00 0.00 60.65 61.31 1crr s ILE 36 Cb 0.11 -0.24 0.22 0.00 0.01 0.00 0.00 42.46 42.56 1crr s ILE 36 CO -0.01 0.08 0.66 -0.62 0.00 0.00 0.00 174.94 175.06 1crr n GLU 37 N 4.30 2.30 -4.36 2.79 4.71 -1.26 -4.03 120.64 125.10 1crr n GLU 37 Ca -0.25 -4.59 -0.18 0.00 -0.01 0.00 0.00 57.16 52.13 1crr n GLU 37 Cb 0.51 -2.29 -0.10 0.00 -1.01 0.00 0.00 31.44 28.55 1crr n GLU 37 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1crr s ASP 38 N -1.93 2.32 -0.04 1.62 2.15 -1.26 -5.04 116.67 114.49 1crr s ASP 38 Ca 0.33 -1.13 -0.13 0.00 0.43 0.00 0.00 52.55 52.04 1crr s ASP 38 Cb 0.05 -0.09 -0.05 0.00 -0.30 0.00 0.00 42.92 42.53 1crr s ASP 38 CO -0.08 -0.35 0.35 -0.94 -0.17 0.00 0.00 175.17 173.98 1crr s SER 39 N -3.34 6.70 -0.34 -0.34 1.04 -1.26 -4.18 113.70 111.98 1crr s SER 39 Ca 0.26 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.41 1crr s SER 39 Cb 0.03 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.94 1crr s SER 39 CO 0.08 0.31 0.18 -0.31 0.98 0.00 0.00 173.24 174.48 1crr s TYR 40 N -0.88 3.20 0.28 5.02 1.51 -0.92 -4.98 117.35 120.59 1crr s TYR 40 Ca 0.22 -0.68 0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1crr s TYR 40 Cb -0.15 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1crr s TYR 40 CO 0.11 -0.52 0.20 1.03 -1.11 0.00 0.00 175.55 175.26 1crr s ARG 41 N 1.60 2.77 -0.30 -0.62 0.52 -1.26 -1.83 118.95 119.83 1crr s ARG 41 Ca 0.04 -1.19 -0.17 0.00 -0.52 0.00 0.00 55.73 53.89 1crr s ARG 41 Cb -0.18 -2.47 0.19 0.00 0.52 0.00 0.00 34.95 33.01 1crr s ARG 41 CO 0.07 0.29 1.20 0.21 0.02 0.00 0.00 175.30 177.08 1crr s LYS 42 N -3.87 0.12 0.21 3.54 2.36 -1.20 -4.96 119.74 115.93 1crr s LYS 42 Ca 0.35 0.24 -0.20 0.00 -2.55 0.00 0.00 55.97 53.81 1crr s LYS 42 Cb -0.07 0.08 -0.08 0.00 -1.05 0.00 0.00 37.83 36.71 1crr s LYS 42 CO 0.25 -0.03 0.72 1.14 1.55 0.00 0.00 175.35 178.97 1crr s GLN 43 N 1.56 4.27 0.33 4.03 -2.07 -1.26 -2.52 119.66 124.00 1crr s GLN 43 Ca -0.05 0.88 0.05 0.00 -1.82 0.00 0.00 55.36 54.42 1crr s GLN 43 Cb -0.02 -2.94 -0.03 0.00 -1.09 0.00 0.00 33.01 28.93 1crr s GLN 43 CO -0.13 0.43 0.21 0.14 -1.32 0.00 0.00 175.29 174.62 1crr s VAL 44 N -1.46 0.17 -0.04 3.63 -7.23 -1.21 -4.96 120.40 109.29 1crr s VAL 44 Ca 0.41 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1crr s VAL 44 Cb -0.17 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1crr s VAL 44 CO 0.21 0.00 0.00 0.52 -0.31 0.00 0.00 175.10 175.53 1crr n VAL 45 N -0.63 0.30 0.00 1.32 0.31 -1.26 -2.15 118.33 116.21 1crr n VAL 45 Ca 0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1crr n VAL 45 Cb 0.64 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1crr n VAL 45 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1crr n ILE 46 N -2.24 0.00 -2.60 2.52 5.41 -1.26 -2.08 119.36 119.11 1crr n ILE 46 Ca -0.07 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.46 1crr n ILE 46 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 1crr n ILE 46 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1crr n ASP 47 N 3.21 3.61 -2.18 4.38 8.00 -1.26 -4.90 116.55 127.41 1crr n ASP 47 Ca 0.00 -3.40 -0.14 0.00 0.71 0.00 0.00 54.79 51.96 1crr n ASP 47 Cb 0.00 -0.49 0.04 0.00 -0.02 0.00 0.00 41.12 40.64 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 -0.31 0.02 0.02 0.44 0.00 -1.06 -4.91 105.19 99.37 1crr n GLY 48 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1crr n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1crr n GLU 49 N -3.02 2.73 -1.98 1.61 2.13 -0.88 -5.12 120.64 116.10 1crr n GLU 49 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1crr n GLU 49 Cb 0.55 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.18 1crr n GLU 49 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1crr n THR 50 N -2.23-11.72 -3.69 6.31 -1.04 -1.12 -4.46 114.28 96.34 1crr n THR 50 Ca -0.06 2.78 -0.10 0.00 -2.04 0.00 0.00 64.05 64.63 1crr n THR 50 Cb 0.60 -5.33 -0.10 0.00 -1.82 0.00 0.00 70.33 63.68 1crr n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1crr s LEU 52 N 1.60 4.36 -0.86 0.00 1.43 -1.04 -3.35 118.68 120.81 1crr s LEU 52 Ca -0.08 2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 55.33 1crr s LEU 52 Cb -0.09 -3.57 0.22 0.00 0.03 0.00 0.00 46.19 42.79 1crr s LEU 52 CO -0.13 -0.82 0.79 -0.76 0.23 0.00 0.00 176.35 175.66 1crr s LEU 53 N 2.19 6.31 -1.01 1.79 1.43 -1.05 -2.69 118.68 125.65 1crr s LEU 53 Ca 0.70 -3.01 -0.23 0.00 -1.03 0.00 0.00 54.13 50.56 1crr s LEU 53 Cb -0.38 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1crr s LEU 53 CO 0.31 -0.44 1.72 -0.62 0.23 0.00 0.00 176.35 177.55 1crr s ASP 54 N 1.52 5.83 0.12 2.29 -1.08 -1.00 -3.22 116.67 121.12 1crr s ASP 54 Ca 0.21 -1.23 -0.28 0.00 -0.52 0.00 0.00 52.55 50.73 1crr s ASP 54 Cb -0.11 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.71 1crr s ASP 54 CO -0.08 -2.14 0.90 -0.63 0.52 0.00 0.00 175.17 173.74 1crr s ILE 55 N 7.58 4.49 -0.23 4.11 1.01 -0.76 -1.55 121.20 135.84 1crr s ILE 55 Ca 0.59 1.94 -0.15 0.00 0.00 0.00 0.00 60.65 63.02 1crr s ILE 55 Cb -0.02 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1crr s ILE 55 CO -0.03 0.37 0.36 -0.22 0.00 0.00 0.00 174.94 175.42 1crr s LEU 56 N -0.26 4.10 -0.35 2.97 0.20 -0.88 -2.16 118.68 122.31 1crr s LEU 56 Ca 0.43 0.38 0.02 0.00 0.69 0.00 0.00 54.13 55.65 1crr s LEU 56 Cb -0.23 -2.43 0.11 0.00 -0.43 0.00 0.00 46.19 43.20 1crr s LEU 56 CO 0.28 -0.10 0.10 -0.62 -0.29 0.00 0.00 176.35 175.72 1crr s ASP 57 N 1.28 4.31 0.59 3.68 -1.08 -1.26 -2.69 116.67 121.50 1crr s ASP 57 Ca 0.16 -2.03 -0.06 0.00 -0.52 0.00 0.00 52.55 50.10 1crr s ASP 57 Cb -0.15 -1.23 0.01 0.00 -1.46 0.00 0.00 42.92 40.08 1crr s ASP 57 CO 0.08 -0.38 0.91 0.42 0.52 0.00 0.00 175.17 176.73 1crr s THR 58 N 1.09 3.73 0.00 1.71 -4.23 -1.26 -4.22 115.64 112.46 1crr s THR 58 Ca 0.11 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1crr s THR 58 Cb -0.19 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1crr s THR 58 CO -0.14 -0.51 0.00 0.00 -0.54 0.00 0.00 174.62 173.43 1crr n ALA 59 N -2.60 2.39 -1.90 3.99 0.00 -1.26 -4.99 120.51 116.14 1crr n ALA 59 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1crr n ALA 59 Cb 0.57 0.32 0.13 0.00 0.00 0.00 0.00 19.45 20.48 1crr n ALA 59 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1crr s GLY 60 N -4.17 1.67 0.00 0.00 0.00 -1.26 -4.99 107.32 98.57 1crr s GLY 60 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1crr s GLY 60 CO 0.00 -0.27 0.00 -1.06 0.00 0.00 0.00 173.10 171.77 1crr n GLN 61 N -3.54 0.00 -0.68 2.90 6.02 -1.26 -5.10 117.38 115.72 1crr n GLN 61 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1crr n GLN 61 Cb 0.60 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.81 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 -1.93 1.34 -3.37 -1.09 1.02 -1.26 -4.58 120.64 110.77 1crr n GLU 62 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1crr n GLU 62 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.50 1crr n GLU 62 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1crr n GLU 63 N -0.76 -6.48 -2.09 3.49 1.02 -1.26 -4.52 120.64 110.05 1crr n GLU 63 Ca 0.00 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1crr n GLU 63 Cb 0.00 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 25.92 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 -4.25 -4.73 -3.91 -0.32 9.36 -1.26 -4.95 117.16 107.10 1crr n TYR 64 Ca -0.13 2.84 -0.32 0.00 3.32 0.00 0.00 57.90 63.61 1crr n TYR 64 Cb 0.60 -3.67 -0.13 0.00 -0.63 0.00 0.00 39.34 35.51 1crr n TYR 64 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1crr s SER 65 N -0.52 4.70 -0.11 2.98 0.01 -1.26 -4.92 113.70 114.58 1crr s SER 65 Ca 0.00 -2.64 -0.04 0.00 1.31 0.00 0.00 55.95 54.58 1crr s SER 65 Cb 0.00 -1.69 -0.26 0.00 0.21 0.00 0.00 66.02 64.28 1crr s SER 65 CO 0.00 -0.33 0.38 0.00 0.41 0.00 0.00 173.24 173.70 1crr n ALA 66 N 3.66 0.97 -0.10 1.44 0.00 -1.26 -3.69 120.51 121.53 1crr n ALA 66 Ca 0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1crr n ALA 66 Cb 0.37 -0.69 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.06 0.87 -0.02 0.00 4.05 -2.00 -2.35 114.93 115.54 1crr h MET 67 Ca -0.41 -0.46 -0.03 0.00 -0.28 0.00 0.00 59.70 58.51 1crr h MET 67 Cb 2.03 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.84 1crr h MET 67 CO 0.08 1.11 -0.15 -0.09 0.23 0.00 0.00 176.91 178.09 1crr h ARG 68 N 0.71 0.03 -0.00 0.39 2.43 -1.97 -2.26 114.38 113.71 1crr h ARG 68 Ca 0.05 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 1crr h ARG 68 Cb 0.98 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1crr h ARG 68 CO 0.09 0.19 -0.99 -0.44 -1.51 0.00 0.00 179.97 177.31 1crr h ASP 69 N 0.03 0.88 -0.54 -3.80 5.19 -1.58 -2.79 116.42 113.82 1crr h ASP 69 Ca 0.01 -0.74 -0.02 0.00 -0.62 0.00 0.00 57.03 55.66 1crr h ASP 69 Cb 0.28 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1crr h ASP 69 CO 0.02 1.50 0.29 1.56 -3.12 0.00 0.00 179.24 179.49 1crr h GLN 70 N 0.35 0.79 0.00 3.56 4.20 -0.99 -0.97 115.11 122.05 1crr h GLN 70 Ca -0.12 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1crr h GLN 70 Cb 1.65 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1crr h GLN 70 CO 0.20 0.60 -0.47 1.88 -0.67 0.00 0.00 178.83 180.37 1crr h TYR 71 N 0.79 0.00 0.00 2.96 0.05 -1.42 -2.12 116.97 117.24 1crr h TYR 71 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 1crr h TYR 71 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1crr h TYR 71 CO 0.01 0.47 0.00 0.52 -1.05 0.00 0.00 178.16 178.10 1crr h MET 72 N 0.00 0.00 0.00 4.88 2.86 -0.88 -1.62 114.93 120.17 1crr h MET 72 Ca -0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1crr h MET 72 Cb 0.93 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1crr h MET 72 CO 0.06 0.00 -2.00 -2.13 1.06 0.00 0.00 176.91 173.90 1crr n ARG 73 N -2.94 0.76 -0.06 1.72 0.00 -0.85 -4.66 116.66 110.63 1crr n ARG 73 Ca -0.02 -0.12 -0.06 0.00 -0.00 0.00 0.00 57.85 57.66 1crr n ARG 73 Cb 0.11 -1.46 -0.03 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 0.35 -4.09 5.15 1.35 -0.84 -3.47 112.91 111.36 1crr h THR 74 Ca -0.17 -1.31 -0.47 0.00 -0.55 0.00 0.00 66.41 63.90 1crr h THR 74 Cb 1.31 0.72 0.14 0.00 -1.73 0.00 0.00 68.15 68.58 1crr h THR 74 CO 0.01 0.12 0.26 -0.83 -0.25 0.00 0.00 175.52 174.83 1crr s GLY 75 N -3.98 1.60 0.00 5.82 0.00 -0.68 -4.96 107.32 105.12 1crr s GLY 75 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1crr s GLY 75 CO 0.22 0.29 0.00 1.18 0.00 0.00 0.00 173.10 174.79 1crr n GLU 76 N -3.85 2.02 -2.47 2.90 4.71 -0.77 -4.86 120.64 118.32 1crr n GLU 76 Ca 0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.85 1crr n GLU 76 Cb 0.56 -0.78 -0.03 0.00 -1.01 0.00 0.00 31.44 30.18 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 -2.26 2.71 -0.31 0.62 0.00 -1.10 -3.91 107.32 103.07 1crr s GLY 77 Ca 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.45 1crr s GLY 77 CO 0.00 1.16 0.11 -1.36 0.00 0.00 0.00 173.10 173.01 1crr s PHE 78 N -1.69 1.24 -1.19 1.90 0.40 -0.99 -0.11 117.98 117.55 1crr s PHE 78 Ca 0.61 -1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.37 1crr s PHE 78 Cb -0.23 -1.44 0.21 0.00 0.51 0.00 0.00 43.02 42.08 1crr s PHE 78 CO 0.28 -0.86 1.44 -0.11 0.70 0.00 0.00 175.22 176.67 1crr n LEU 79 N 4.94 5.67 -4.57 -0.37 7.94 -0.85 -0.69 117.00 129.07 1crr n LEU 79 Ca -0.03 -4.71 -0.32 0.00 -1.11 0.00 0.00 56.01 49.84 1crr n LEU 79 Cb 0.42 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.80 1crr n LEU 79 CO 0.09 1.09 1.49 0.00 -1.11 0.00 0.00 177.39 178.95 1crr s VAL 81 N 8.41 2.46 -0.30 0.00 1.01 -0.26 -2.63 120.40 129.10 1crr s VAL 81 Ca 0.62 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 1crr s VAL 81 Cb -0.03 -2.49 0.19 0.00 0.00 0.00 0.00 36.38 34.05 1crr s VAL 81 CO 0.01 -0.17 0.79 0.72 0.00 0.00 0.00 175.10 176.45 1crr s PHE 82 N -2.49 -1.17 0.23 5.22 -0.12 -0.73 -4.29 117.98 114.63 1crr s PHE 82 Ca 0.68 1.15 -0.32 0.00 -0.05 0.00 0.00 56.93 58.39 1crr s PHE 82 Cb -0.23 0.38 -0.12 0.00 -0.63 0.00 0.00 43.02 42.41 1crr s PHE 82 CO 0.53 -0.65 1.65 0.00 -0.05 0.00 0.00 175.22 176.70 1crr n ALA 83 N 5.43 2.44 -0.68 1.99 0.00 -1.26 -1.88 120.51 126.54 1crr n ALA 83 Ca -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1crr n ALA 83 Cb 0.53 -2.47 0.23 0.00 0.00 0.00 0.00 19.45 17.74 1crr n ALA 83 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1crr n ILE 84 N 3.22 2.54 -0.34 0.00 -6.64 -0.98 -4.14 119.36 113.02 1crr n ILE 84 Ca 0.14 -1.36 0.00 0.00 -1.77 0.00 0.00 62.75 59.76 1crr n ILE 84 Cb 0.34 -0.46 0.00 0.00 -1.44 0.00 0.00 39.64 38.09 1crr n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1crr n ASN 85 N -0.21 0.39 -0.01 7.28 0.23 -1.26 -2.30 115.26 119.38 1crr n ASN 85 Ca 0.36 -0.80 0.01 0.00 -0.53 0.00 0.00 54.58 53.62 1crr n ASN 85 Cb 1.25 0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 39.07 1crr n ASN 85 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1crr n ASN 86 N -0.15 4.10 0.00 0.53 0.23 -1.26 -4.55 115.26 114.16 1crr n ASN 86 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1crr n ASN 86 Cb 0.08 1.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 1crr n ASN 86 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1crr n THR 87 N -1.79 0.00 0.09 5.53 -1.04 -1.26 -4.76 114.28 111.05 1crr n THR 87 Ca -0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.93 1crr n THR 87 Cb 0.26 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.89 0.05 -0.32 -2.82 1.63 -1.95 -3.03 116.57 111.02 1crr h LYS 88 Ca 0.00 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.65 1crr h LYS 88 Cb 0.00 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1crr h LYS 88 CO 0.00 0.88 -0.21 0.66 -3.45 0.00 0.00 179.45 177.33 1crr h SER 89 N 0.02 0.60 -0.05 4.20 4.64 -1.86 -2.09 113.55 119.02 1crr h SER 89 Ca -0.02 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1crr h SER 89 Cb 1.51 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1crr h SER 89 CO 0.12 0.81 0.02 0.15 -0.87 0.00 0.00 176.83 177.06 1crr h PHE 90 N 0.53 0.07 0.00 4.77 3.57 -1.76 -0.82 116.94 123.31 1crr h PHE 90 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1crr h PHE 90 Cb 0.65 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1crr h PHE 90 CO 0.03 0.18 -0.00 0.93 -2.23 0.00 0.00 178.31 177.21 1crr h GLU 91 N -0.06 0.00 0.00 1.11 5.08 -1.39 -0.82 114.58 118.51 1crr h GLU 91 Ca 0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.15 1crr h GLU 91 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1crr h GLU 91 CO -0.00 0.00 -1.17 -0.44 -1.00 0.00 0.00 179.01 176.40 1crr h ASP 92 N 0.00 0.02 0.29 1.42 5.19 -0.48 -3.28 116.42 119.58 1crr h ASP 92 Ca -0.00 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 1crr h ASP 92 Cb 0.04 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1crr h ASP 92 CO 0.00 1.02 -0.36 0.40 -3.12 0.00 0.00 179.24 177.17 1crr h ILE 93 N 0.00 1.28 -0.17 0.35 1.08 -0.09 -2.26 117.51 117.70 1crr h ILE 93 Ca -0.08 -1.32 -0.00 0.00 -0.39 0.00 0.00 64.86 63.07 1crr h ILE 93 Cb 1.83 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 37.22 1crr h ILE 93 CO 0.12 0.39 0.09 -0.74 -0.69 0.00 0.00 178.15 177.32 1crr h HIS 94 N 0.09 0.23 -0.35 1.37 -0.00 -1.59 0.15 115.15 115.06 1crr h HIS 94 Ca 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1crr h HIS 94 Cb 0.69 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.01 1crr h HIS 94 CO 0.00 0.23 0.08 1.96 -0.00 0.00 0.00 177.93 180.20 1crr h GLN 95 N 0.16 0.56 0.00 5.26 4.20 -1.63 -0.84 115.11 122.82 1crr h GLN 95 Ca 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1crr h GLN 95 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1crr h GLN 95 CO -0.01 0.62 0.00 1.88 -0.67 0.00 0.00 178.83 180.65 1crr h TYR 96 N 0.40 0.00 -0.84 2.96 0.05 -1.21 -1.55 116.97 116.78 1crr h TYR 96 Ca 0.11 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.34 1crr h TYR 96 Cb 0.32 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.83 1crr h TYR 96 CO 0.02 0.00 0.70 -2.13 -1.05 0.00 0.00 178.16 175.70 1crr n ARG 97 N -2.89 2.35 0.00 4.88 3.00 0.52 -3.66 116.66 120.86 1crr n ARG 97 Ca -0.02 -2.62 0.00 0.00 -0.00 0.00 0.00 57.85 55.21 1crr n ARG 97 Cb 0.12 -2.03 0.00 0.00 0.00 0.00 0.00 32.46 30.55 1crr n ARG 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1crr n GLU 98 N -0.37 0.00 0.20 -0.14 0.28 -0.62 -4.84 120.64 115.15 1crr n GLU 98 Ca 0.50 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.54 1crr n GLU 98 Cb 0.61 -0.04 0.42 0.00 1.43 0.00 0.00 31.44 33.86 1crr n GLU 98 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1crr h GLN 99 N 0.00 0.00 -0.34 3.44 -0.00 -1.64 -0.42 115.11 116.15 1crr h GLN 99 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 1crr h GLN 99 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1crr h GLN 99 CO 0.00 0.32 -0.38 0.82 0.00 0.00 0.00 178.83 179.60 1crr h ILE 100 N 0.00 1.28 0.00 2.39 2.04 -1.82 -1.34 117.51 120.06 1crr h ILE 100 Ca -0.00 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1crr h ILE 100 Cb 0.62 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1crr h ILE 100 CO 0.04 0.51 -0.18 0.11 0.00 0.00 0.00 178.15 178.63 1crr h LYS 101 N 0.66 0.00 -0.01 2.37 1.57 -1.56 -3.03 116.57 116.57 1crr h LYS 101 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1crr h LYS 101 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1crr h LYS 101 CO 0.09 0.18 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.05 1crr h ARG 102 N 0.00 0.02 -0.40 3.15 2.43 -0.03 0.78 114.38 120.33 1crr h ARG 102 Ca -0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1crr h ARG 102 Cb 0.61 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 1crr h ARG 102 CO 0.02 0.49 0.07 0.28 -1.51 0.00 0.00 179.97 179.32 1crr h VAL 103 N -0.46 0.78 -0.30 0.20 2.07 -1.22 -2.51 116.25 114.81 1crr h VAL 103 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1crr h VAL 103 Cb 0.49 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1crr h VAL 103 CO 0.00 0.03 0.00 2.29 0.02 0.00 0.00 177.57 179.92 1crr n LYS 104 N -5.11 2.21 -4.03 1.57 0.00 -1.20 -4.93 118.16 106.67 1crr n LYS 104 Ca 0.03 -2.04 -0.29 0.00 -0.00 0.00 0.00 58.31 56.00 1crr n LYS 104 Cb 0.19 -1.42 -0.01 0.00 -0.00 0.00 0.00 35.03 33.79 1crr n LYS 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1crr n ASP 105 N 1.17 -2.00 -3.61 -5.58 -0.08 0.27 -4.93 116.55 101.79 1crr n ASP 105 Ca 0.16 -0.97 -0.09 0.00 -1.51 0.00 0.00 54.79 52.38 1crr n ASP 105 Cb 0.52 -3.12 -0.02 0.00 2.34 0.00 0.00 41.12 40.83 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 -3.86 -0.40 -0.61 1.67 0.01 -0.75 -5.00 113.70 104.75 1crr s SER 106 Ca 0.34 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.42 1crr s SER 106 Cb -0.18 0.61 0.24 0.00 0.21 0.00 0.00 66.02 66.90 1crr s SER 106 CO 0.89 -1.05 0.71 -0.67 0.41 0.00 0.00 173.24 173.52 1crr n ASP 107 N -0.40 3.30 -2.72 2.44 2.03 -1.26 -4.30 116.55 115.65 1crr n ASP 107 Ca -0.11 -3.34 -0.04 0.00 0.52 0.00 0.00 54.79 51.82 1crr n ASP 107 Cb 0.62 -0.67 0.09 0.00 -0.72 0.00 0.00 41.12 40.44 1crr n ASP 107 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1crr n ASP 108 N 0.99 -0.35 -4.89 1.67 8.00 -1.26 -5.12 116.55 115.59 1crr n ASP 108 Ca 0.28 -2.31 -0.31 0.00 0.71 0.00 0.00 54.79 53.16 1crr n ASP 108 Cb 0.42 0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.76 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 -1.36 5.03 -1.07 2.53 1.01 -1.26 -4.95 120.40 120.33 1crr s VAL 109 Ca 0.20 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 1crr s VAL 109 Cb 0.41 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 1crr s VAL 109 CO -0.07 -0.11 1.96 -2.16 0.00 0.00 0.00 175.10 174.72 1crr s PRO 110 N -2.98 2.45 0.56 2.72 0.05 -1.25 -4.91 135.00 131.63 1crr s PRO 110 Ca 0.44 -0.79 -0.08 0.00 0.05 0.00 0.00 61.00 60.63 1crr s PRO 110 Cb -0.11 -5.16 -0.03 0.00 0.05 0.00 0.00 34.50 29.25 1crr s PRO 110 CO 0.25 -3.83 0.91 1.41 0.05 0.00 0.00 177.00 175.79 1crr s MET 111 N 6.79 3.43 -0.34 4.56 1.75 -1.26 -2.34 119.30 131.89 1crr s MET 111 Ca 0.70 0.38 0.05 0.00 -1.25 0.00 0.00 55.69 55.57 1crr s MET 111 Cb -0.03 -2.23 0.17 0.00 2.84 0.00 0.00 34.83 35.58 1crr s MET 111 CO 0.08 -0.46 0.50 0.08 -0.65 0.00 0.00 175.02 174.57 1crr s VAL 112 N -2.97 -0.74 -0.42 10.11 1.01 0.13 -4.33 120.40 123.18 1crr s VAL 112 Ca 0.52 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1crr s VAL 112 Cb -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1crr s VAL 112 CO 0.49 -0.21 1.15 -0.22 0.00 0.00 0.00 175.10 176.30 1crr s LEU 113 N 2.20 3.72 -0.28 3.92 2.96 -0.91 -2.00 118.68 128.29 1crr s LEU 113 Ca 0.13 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1crr s LEU 113 Cb -0.10 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.10 1crr s LEU 113 CO -0.18 -1.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 172.95 1crr s VAL 114 N 4.31 2.56 -0.40 1.68 1.01 -1.08 -2.11 120.40 126.37 1crr s VAL 114 Ca 0.49 -1.54 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 1crr s VAL 114 Cb -0.09 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1crr s VAL 114 CO 0.27 -0.09 1.01 -0.83 0.00 0.00 0.00 175.10 175.46 1crr s GLY 115 N 1.18 1.49 0.68 4.51 0.00 -0.73 -1.78 107.32 112.67 1crr s GLY 115 Ca -0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1crr s GLY 115 CO -0.03 2.17 0.93 -2.01 0.00 0.00 0.00 173.10 174.16 1crr n ASN 116 N 7.10 0.39 -1.18 1.64 5.15 -0.79 -2.08 115.26 125.49 1crr n ASN 116 Ca 0.09 -1.53 -0.11 0.00 -0.60 0.00 0.00 54.58 52.43 1crr n ASN 116 Cb 0.48 -0.68 -0.01 0.00 -0.53 0.00 0.00 39.78 39.04 1crr n ASN 116 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1crr n LYS 117 N -2.91 -0.84 -0.00 1.20 4.76 -0.51 -2.33 118.16 117.54 1crr n LYS 117 Ca 0.13 0.54 0.14 0.00 -2.87 0.00 0.00 58.31 56.25 1crr n LYS 117 Cb 0.44 -4.62 0.82 0.00 -1.84 0.00 0.00 35.03 29.84 1crr n LYS 117 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1crr n ASP 119 N -0.86 3.99 -2.98 0.00 5.75 -1.26 -4.92 116.55 116.27 1crr n ASP 119 Ca 0.21 -3.15 -0.11 0.00 -0.01 0.00 0.00 54.79 51.74 1crr n ASP 119 Cb 0.12 -0.74 -0.02 0.00 -1.03 0.00 0.00 41.12 39.45 1crr n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1crr n LEU 120 N -0.44 0.00 0.06 -2.12 4.77 -1.23 -5.10 117.00 112.94 1crr n LEU 120 Ca 0.41 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1crr n LEU 120 Cb 1.33 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 1crr n LEU 120 CO 0.43 -0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.27 1crr n ALA 121 N -2.46 3.00 -2.23 -1.18 0.00 -1.26 -4.91 120.51 111.47 1crr n ALA 121 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1crr n ALA 121 Cb 0.23 0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.00 2.07 0.36 0.00 0.00 -1.26 -4.94 121.76 116.00 1crr s ALA 122 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 51.96 50.15 1crr s ALA 122 Cb 0.00 -4.57 -0.03 0.00 0.00 0.00 0.00 23.12 18.52 1crr s ALA 122 CO 0.00 -4.44 0.28 -0.98 0.00 0.00 0.00 175.76 170.62 1crr s ARG 123 N 6.20 2.58 -0.08 0.00 1.70 -1.26 -4.92 118.95 123.17 1crr s ARG 123 Ca 0.62 -1.43 0.05 0.00 -0.47 0.00 0.00 55.73 54.50 1crr s ARG 123 Cb -0.03 -2.36 -0.09 0.00 -0.57 0.00 0.00 34.95 31.89 1crr s ARG 123 CO -0.01 0.02 -0.00 0.25 -1.08 0.00 0.00 175.30 174.47 1crr n THR 124 N -1.36 0.53 -2.84 4.99 -2.24 -0.97 -4.90 114.28 107.49 1crr n THR 124 Ca -0.01 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 1crr n THR 124 Cb 0.61 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.19 4.37 0.44 2.28 1.01 -1.06 -5.02 120.40 120.23 1crr s VAL 125 Ca -0.06 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1crr s VAL 125 Cb 0.03 -4.57 -0.08 0.00 0.00 0.00 0.00 36.38 31.76 1crr s VAL 125 CO 0.29 -1.19 1.17 -1.61 0.00 0.00 0.00 175.10 173.76 1crr s GLU 126 N 4.00 3.83 0.61 2.72 0.41 -1.26 -4.88 118.70 124.12 1crr s GLU 126 Ca 0.29 1.79 0.34 0.00 -0.41 0.00 0.00 54.97 56.98 1crr s GLU 126 Cb -0.13 -2.47 1.96 0.00 -1.78 0.00 0.00 34.13 31.70 1crr s GLU 126 CO 0.17 -0.50 2.26 0.66 -0.49 0.00 0.00 175.26 177.37 1crr h SER 127 N 2.20 0.00 0.29 -0.19 4.64 -1.99 -2.31 113.55 116.19 1crr h SER 127 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1crr h SER 127 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1crr h SER 127 CO 0.61 0.02 -0.14 -0.09 -0.87 0.00 0.00 176.83 176.35 1crr h ARG 128 N 0.00 -0.38 -0.33 4.77 9.65 -1.99 -1.88 114.38 124.22 1crr h ARG 128 Ca -0.00 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1crr h ARG 128 Cb 0.06 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1crr h ARG 128 CO 0.00 -0.07 0.23 -0.56 2.80 0.00 0.00 179.97 182.37 1crr h GLN 129 N -0.98 0.12 -0.16 0.20 3.07 -1.88 0.67 115.11 116.14 1crr h GLN 129 Ca -0.04 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.52 1crr h GLN 129 Cb 0.48 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1crr h GLN 129 CO 0.07 0.08 -0.61 0.00 0.09 0.00 0.00 178.83 178.45 1crr h ALA 130 N 1.83 0.63 0.00 0.06 0.00 -1.42 -2.31 119.26 118.05 1crr h ALA 130 Ca 0.15 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1crr h ALA 130 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1crr h ALA 130 CO -0.02 0.70 -0.29 1.96 0.00 0.00 0.00 179.25 181.61 1crr h GLN 131 N 0.42 0.00 0.00 0.00 4.20 -0.04 -1.89 115.11 117.79 1crr h GLN 131 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1crr h GLN 131 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 1crr h GLN 131 CO 0.11 0.29 -0.71 -0.44 -0.67 0.00 0.00 178.83 177.41 1crr h ASP 132 N 0.00 0.00 1.11 1.46 5.19 -1.05 -2.03 116.42 121.10 1crr h ASP 132 Ca -0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1crr h ASP 132 Cb 0.61 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1crr h ASP 132 CO 0.04 0.57 -0.94 0.25 -3.12 0.00 0.00 179.24 176.04 1crr h LEU 133 N 0.00 0.00 0.00 1.55 5.85 -1.01 -3.31 115.31 118.39 1crr h LEU 133 Ca -0.03 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.37 1crr h LEU 133 Cb 1.46 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1crr h LEU 133 CO 0.07 0.45 -2.06 0.00 -0.34 0.00 0.00 178.44 176.56 1crr n ALA 134 N -2.29 1.54 -0.04 1.25 0.00 -0.75 -4.20 120.51 116.03 1crr n ALA 134 Ca -0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.34 1crr n ALA 134 Cb 0.75 -0.50 0.26 0.00 0.00 0.00 0.00 19.45 19.97 1crr n ALA 134 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1crr h ARG 135 N 0.00 0.61 -0.32 0.00 0.11 -1.50 -0.89 114.38 112.38 1crr h ARG 135 Ca -0.41 -0.13 0.03 0.00 0.10 0.00 0.00 59.98 59.57 1crr h ARG 135 Cb 2.10 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 33.06 1crr h ARG 135 CO 0.05 0.61 0.12 1.03 0.10 0.00 0.00 179.97 181.88 1crr h SER 136 N 0.58 0.14 1.35 0.08 0.87 -1.73 -0.99 113.55 113.85 1crr h SER 136 Ca 0.13 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1crr h SER 136 Cb 0.33 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1crr h SER 136 CO 0.01 0.12 0.00 -1.22 -0.53 0.00 0.00 176.83 175.20 1crr n TYR 137 N -5.01 0.94 -2.04 2.24 4.02 -1.04 -4.94 117.16 111.33 1crr n TYR 137 Ca 0.00 0.29 -0.04 0.00 -0.01 0.00 0.00 57.90 58.14 1crr n TYR 137 Cb 0.11 -0.97 0.02 0.00 -0.02 0.00 0.00 39.34 38.48 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 1.06 0.34 3.04 2.72 0.00 -0.38 -5.07 105.19 106.91 1crr n GLY 138 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.10 0.51 0.40 -0.61 -4.36 -0.89 -4.95 121.20 108.20 1crr s ILE 139 Ca 0.10 -0.93 -0.26 0.00 -0.26 0.00 0.00 60.65 59.30 1crr s ILE 139 Cb -0.01 -0.56 -0.09 0.00 1.25 0.00 0.00 42.46 43.05 1crr s ILE 139 CO 0.19 -0.30 1.26 -2.16 0.24 0.00 0.00 174.94 174.17 1crr s PRO 140 N -1.33 4.00 -0.05 0.37 0.04 -1.26 -4.52 135.00 132.24 1crr s PRO 140 Ca -0.08 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.04 1crr s PRO 140 Cb -0.09 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 1crr s PRO 140 CO 0.00 -0.43 -0.14 -0.47 0.04 0.00 0.00 177.00 176.00 1crr s TYR 141 N -1.31 2.70 0.33 0.56 5.04 -1.26 -2.15 117.35 121.27 1crr s TYR 141 Ca 0.57 -0.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 1crr s TYR 141 Cb -0.36 -1.64 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1crr s TYR 141 CO 0.45 0.17 0.39 0.42 -1.34 0.00 0.00 175.55 175.65 1crr s ILE 142 N -0.70 0.00 -0.02 3.14 1.01 -0.90 -5.02 121.20 118.71 1crr s ILE 142 Ca 0.11 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 59.02 1crr s ILE 142 Cb -0.11 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1crr s ILE 142 CO 0.01 0.00 -0.06 -1.61 0.00 0.00 0.00 174.94 173.28 1crr s GLU 143 N -3.25 0.68 0.18 2.79 2.02 -1.26 -1.78 118.70 118.09 1crr s GLU 143 Ca 0.34 -0.17 -0.02 0.00 0.02 0.00 0.00 54.97 55.14 1crr s GLU 143 Cb 0.01 -0.68 -0.04 0.00 0.10 0.00 0.00 34.13 33.52 1crr s GLU 143 CO 0.22 0.04 0.14 0.95 0.02 0.00 0.00 175.26 176.63 1crr s THR 144 N 0.37 0.03 -0.30 3.63 -4.23 -0.88 -4.18 115.64 110.07 1crr s THR 144 Ca -0.05 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1crr s THR 144 Cb -0.09 -2.34 0.19 0.00 1.34 0.00 0.00 72.50 71.60 1crr s THR 144 CO -0.00 -0.13 0.63 -0.55 -0.54 0.00 0.00 174.62 174.04 1crr s SER 145 N -3.12 -1.33 0.05 3.99 0.15 -0.06 -1.42 113.70 111.96 1crr s SER 145 Ca 0.33 0.80 0.13 0.00 0.70 0.00 0.00 55.95 57.92 1crr s SER 145 Cb 0.07 2.10 0.57 0.00 -1.71 0.00 0.00 66.02 67.05 1crr s SER 145 CO 0.09 -0.25 1.41 0.00 1.20 0.00 0.00 173.24 175.69 1crr n ALA 146 N 5.43 1.51 1.88 5.45 0.00 -1.26 -2.43 120.51 131.08 1crr n ALA 146 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1crr n ALA 146 Cb 0.51 -1.21 0.66 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.63 0.94 -0.45 0.00 0.00 -1.26 -4.06 118.16 111.70 1crr n LYS 147 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.32 1crr n LYS 147 Cb 0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 35.03 33.79 1crr n LYS 147 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1crr n THR 148 N -0.87 0.00 -3.07 3.15 5.66 -1.02 -4.99 114.28 113.14 1crr n THR 148 Ca 0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.98 1crr n THR 148 Cb 0.08 0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 68.92 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 -2.97 -3.65 1.09 1.74 -1.05 -4.91 116.66 106.90 1crr n ARG 149 Ca -0.04 0.45 -0.38 0.00 -0.77 0.00 0.00 57.85 57.11 1crr n ARG 149 Cb 0.39 -5.10 -0.12 0.00 -1.02 0.00 0.00 32.46 26.61 1crr n ARG 149 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1crr s GLN 150 N -5.69 3.64 0.00 5.56 2.00 -1.16 -4.37 119.66 119.65 1crr s GLN 150 Ca 0.27 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 53.11 1crr s GLN 150 Cb -0.14 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.12 1crr s GLN 150 CO 0.33 -0.28 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 1crr n GLY 151 N 5.00 2.96 0.44 2.59 0.00 -1.26 -0.89 105.19 114.04 1crr n GLY 151 Ca -0.14 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.13 1crr n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1crr h VAL 152 N 0.00 0.57 0.52 1.61 2.07 -1.80 -2.02 116.25 117.19 1crr h VAL 152 Ca 0.00 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1crr h VAL 152 Cb 0.00 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1crr h VAL 152 CO 0.00 0.03 -0.25 -0.33 0.02 0.00 0.00 177.57 177.05 1crr h GLU 153 N 0.19 -0.67 -0.13 1.57 4.39 -1.89 -2.89 114.58 115.14 1crr h GLU 153 Ca 0.48 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.27 1crr h GLU 153 Cb 1.58 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.38 1crr h GLU 153 CO -0.11 -0.45 0.22 -0.44 -1.16 0.00 0.00 179.01 177.08 1crr h ASP 154 N -0.86 0.00 0.00 1.42 3.32 -1.82 -1.53 116.42 116.95 1crr h ASP 154 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1crr h ASP 154 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1crr h ASP 154 CO 0.12 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 1crr n ALA 155 N -2.19 -0.16 0.11 3.45 0.00 -0.81 -2.45 120.51 118.47 1crr n ALA 155 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1crr n ALA 155 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.18 -0.20 0.00 0.04 -1.48 -2.30 116.94 112.81 1crr h PHE 156 Ca 0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.82 1crr h PHE 156 Cb 0.00 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 38.14 1crr h PHE 156 CO 0.07 -0.10 -0.27 1.88 -0.60 0.00 0.00 178.31 179.30 1crr h TYR 157 N -0.22 -0.72 0.00 -0.55 0.05 -1.46 0.31 116.97 114.39 1crr h TYR 157 Ca -0.02 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 1crr h TYR 157 Cb 0.17 0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1crr h TYR 157 CO -0.06 -0.34 -0.01 1.15 -1.05 0.00 0.00 178.16 177.84 1crr h THR 158 N -0.30 0.91 0.11 -2.88 2.02 -1.44 -1.91 112.91 109.43 1crr h THR 158 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1crr h THR 158 Cb 0.49 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1crr h THR 158 CO -0.37 0.01 -0.05 0.25 0.37 0.00 0.00 175.52 175.73 1crr h LEU 159 N 0.00 -0.13 -1.14 2.58 6.46 -0.35 -2.34 115.31 120.39 1crr h LEU 159 Ca -0.00 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.65 1crr h LEU 159 Cb 0.02 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 1crr h LEU 159 CO 0.00 -0.02 -0.24 0.58 -0.62 0.00 0.00 178.44 178.14 1crr h VAL 160 N -0.22 0.60 0.00 1.05 2.07 -1.00 -2.77 116.25 115.98 1crr h VAL 160 Ca -0.02 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1crr h VAL 160 Cb 0.18 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1crr h VAL 160 CO 0.02 0.23 -0.30 0.03 0.02 0.00 0.00 177.57 177.58 1crr h ARG 161 N 0.00 0.00 0.04 1.57 2.47 -0.96 -2.21 114.38 115.29 1crr h ARG 161 Ca -0.00 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.39 1crr h ARG 161 Cb 0.74 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 1crr h ARG 161 CO 0.03 0.30 -1.86 -0.85 0.56 0.00 0.00 179.97 178.15 1crr n GLU 162 N -3.48 0.68 0.08 0.04 0.28 -0.92 -4.12 120.64 113.21 1crr n GLU 162 Ca -0.00 0.27 -0.06 0.00 -0.16 0.00 0.00 57.16 57.21 1crr n GLU 162 Cb 0.46 -1.74 0.08 0.00 1.43 0.00 0.00 31.44 31.67 1crr n GLU 162 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1crr h ILE 163 N 0.03 1.42 0.15 3.84 2.04 -1.49 -3.28 117.51 120.22 1crr h ILE 163 Ca -0.35 -2.16 0.02 0.00 1.00 0.00 0.00 64.86 63.36 1crr h ILE 163 Cb 2.03 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 40.20 1crr h ILE 163 CO 0.08 0.64 -0.37 0.03 0.00 0.00 0.00 178.15 178.52 1crr h ARG 164 N 0.16 -0.60 -0.15 2.37 2.47 -1.55 -2.92 114.38 114.16 1crr h ARG 164 Ca -0.02 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1crr h ARG 164 Cb 1.22 0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 29.61 1crr h ARG 164 CO 0.10 -0.40 -0.41 0.37 0.56 0.00 0.00 179.97 180.19 1crr h GLN 165 N -0.63 -0.46 0.00 0.04 -0.00 -1.72 -3.52 115.11 108.83 1crr h GLN 165 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1crr h GLN 165 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.23 1crr h GLN 165 CO -0.20 -0.30 0.00 1.58 0.00 0.00 0.00 178.83 179.91