#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r44 n GLU 2 N 0.00 0.44 -2.61 2.12 4.07 -1.26 -4.94 120.64 118.46 1r44 n GLU 2 Ca 0.00 0.19 -0.41 0.00 -0.06 0.00 0.00 57.16 56.88 1r44 n GLU 2 Cb 0.00 -1.87 -0.05 0.00 -0.06 0.00 0.00 31.44 29.46 1r44 n GLU 2 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1r44 s ILE 3 N -1.80 4.02 0.00 6.31 1.10 -1.26 -2.82 121.20 126.75 1r44 s ILE 3 Ca 0.68 1.81 0.00 0.00 -0.51 0.00 0.00 60.65 62.64 1r44 s ILE 3 Cb -0.38 -4.16 0.00 0.00 0.15 0.00 0.00 42.46 38.07 1r44 s ILE 3 CO 0.55 0.34 0.00 0.61 -2.11 0.00 0.00 174.94 174.33 1r44 n GLY 4 N 1.88 2.03 3.81 1.50 0.00 -1.26 -5.03 105.19 108.12 1r44 n GLY 4 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1r44 n GLY 4 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r44 s PHE 5 N -2.54 2.90 0.15 1.61 0.40 -1.13 -1.09 117.98 118.30 1r44 s PHE 5 Ca 0.00 -0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 55.88 1r44 s PHE 5 Cb 0.00 -1.62 0.05 0.00 0.51 0.00 0.00 43.02 41.96 1r44 s PHE 5 CO 0.00 0.33 0.51 -0.08 0.70 0.00 0.00 175.22 176.68 1r44 s THR 6 N -2.29 0.03 -0.19 0.64 -1.32 0.11 -4.78 115.64 107.85 1r44 s THR 6 Ca 0.38 -0.36 -0.29 0.00 -1.21 0.00 0.00 61.69 60.21 1r44 s THR 6 Cb -0.06 -1.15 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 1r44 s THR 6 CO 0.25 -0.15 1.22 -0.36 -2.21 0.00 0.00 174.62 173.36 1r44 s PHE 7 N -3.79 2.94 0.54 9.09 0.08 -1.26 -0.23 117.98 125.35 1r44 s PHE 7 Ca 0.03 1.10 0.21 0.00 0.12 0.00 0.00 56.93 58.38 1r44 s PHE 7 Cb 0.00 -3.49 1.39 0.00 -0.57 0.00 0.00 43.02 40.35 1r44 s PHE 7 CO -0.11 -1.43 2.11 -0.07 -0.10 0.00 0.00 175.22 175.62 1r44 h LEU 8 N 9.77 0.00 -1.58 -0.37 3.38 -0.85 -0.97 115.31 124.68 1r44 h LEU 8 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1r44 h LEU 8 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1r44 h LEU 8 CO 0.98 0.00 -0.13 -2.24 0.09 0.00 0.00 178.44 177.14 1r44 h ASP 9 N 0.00 0.00 0.86 -0.43 2.03 -1.78 0.29 116.42 117.38 1r44 h ASP 9 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1r44 h ASP 9 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1r44 h ASP 9 CO -0.00 0.13 0.00 -0.62 -1.03 0.00 0.00 179.24 177.72 1r44 n GLU 10 N -3.38 0.06 -0.06 4.15 1.02 -0.37 -3.54 120.64 118.53 1r44 n GLU 10 Ca -0.01 0.17 -0.10 0.00 -0.02 0.00 0.00 57.16 57.21 1r44 n GLU 10 Cb 0.32 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1r44 n GLU 10 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1r44 n ILE 11 N -1.70 0.65 -3.39 -3.67 2.08 -0.85 -4.83 119.36 107.65 1r44 n ILE 11 Ca 0.05 -0.22 -0.45 0.00 0.56 0.00 0.00 62.75 62.69 1r44 n ILE 11 Cb 0.28 -1.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.95 1r44 n ILE 11 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1r44 s VAL 12 N -2.22 5.30 0.01 1.39 1.01 0.95 -4.98 120.40 121.87 1r44 s VAL 12 Ca -0.16 -2.47 -0.24 0.00 0.00 0.00 0.00 61.98 59.12 1r44 s VAL 12 Cb 0.05 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 1r44 s VAL 12 CO 0.24 -0.99 1.37 0.45 0.00 0.00 0.00 175.10 176.17 1r44 h HIS 13 N 7.75 0.12 -0.18 5.22 3.86 -1.83 -3.15 115.15 126.95 1r44 h HIS 13 Ca 0.06 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1r44 h HIS 13 Cb 1.03 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1r44 h HIS 13 CO 0.97 0.48 0.00 0.41 0.86 0.00 0.00 177.93 180.65 1r44 n GLY 14 N -0.01 0.83 3.76 2.45 0.00 -1.26 -4.93 105.19 106.04 1r44 n GLY 14 Ca -0.07 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1r44 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r44 s VAL 15 N -1.62 3.09 0.15 1.61 0.11 -1.19 -4.95 120.40 117.60 1r44 s VAL 15 Ca 0.14 1.08 -0.20 0.00 -2.93 0.00 0.00 61.98 60.07 1r44 s VAL 15 Cb 0.09 -3.69 -0.07 0.00 -1.53 0.00 0.00 36.38 31.18 1r44 s VAL 15 CO 0.07 0.25 0.65 -0.60 -3.33 0.00 0.00 175.10 172.14 1r44 s ARG 16 N -1.48 4.24 0.14 1.54 6.06 -0.87 -5.00 118.95 123.58 1r44 s ARG 16 Ca 0.48 0.81 -0.12 0.00 -2.50 0.00 0.00 55.73 54.39 1r44 s ARG 16 Cb -0.36 -3.08 0.01 0.00 0.06 0.00 0.00 34.95 31.58 1r44 s ARG 16 CO 0.47 0.53 0.34 1.67 -2.50 0.00 0.00 175.30 175.80 1r44 s TRP 17 N -1.30 0.09 -0.40 5.12 -2.14 -1.26 -0.09 118.94 118.96 1r44 s TRP 17 Ca 0.36 -0.45 0.07 0.00 2.66 0.00 0.00 56.10 58.74 1r44 s TRP 17 Cb -0.19 0.11 0.18 0.00 -3.10 0.00 0.00 33.47 30.48 1r44 s TRP 17 CO 0.21 -0.71 0.64 0.34 -2.66 0.00 0.00 176.95 174.76 1r44 s ASP 18 N -2.88 -1.52 -0.97 -2.66 2.15 -0.44 -4.91 116.67 105.43 1r44 s ASP 18 Ca 0.09 -0.66 -0.24 0.00 0.43 0.00 0.00 52.55 52.17 1r44 s ASP 18 Cb 0.02 1.94 -0.03 0.00 -0.30 0.00 0.00 42.92 44.55 1r44 s ASP 18 CO -0.06 -0.18 1.86 0.00 -0.17 0.00 0.00 175.17 176.62 1r44 s ALA 19 N 1.96 1.90 0.43 3.66 0.00 -1.26 -4.31 121.76 124.14 1r44 s ALA 19 Ca 0.15 -1.76 0.20 0.00 0.00 0.00 0.00 51.96 50.55 1r44 s ALA 19 Cb -0.04 -4.57 1.14 0.00 0.00 0.00 0.00 23.12 19.64 1r44 s ALA 19 CO -0.09 -4.65 1.84 0.87 0.00 0.00 0.00 175.76 173.73 1r44 h LYS 20 N 10.71 0.35 -0.00 0.00 1.79 -1.86 0.14 116.57 127.69 1r44 h LYS 20 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1r44 h LYS 20 Cb 0.99 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1r44 h LYS 20 CO 1.25 0.23 -0.26 0.66 -1.08 0.00 0.00 179.45 180.26 1r44 n TYR 21 N -4.50 0.00 -0.26 -1.35 4.01 -1.26 -2.83 117.16 110.96 1r44 n TYR 21 Ca 0.21 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 1r44 n TYR 21 Cb 0.77 -0.19 0.30 0.00 -0.31 0.00 0.00 39.34 39.91 1r44 n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r44 n ALA 22 N -0.99 3.06 -2.24 -0.72 0.00 0.47 -0.07 120.51 120.02 1r44 n ALA 22 Ca 0.11 -1.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.08 1r44 n ALA 22 Cb 0.32 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 1r44 n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1r44 s THR 23 N -1.86 0.61 -1.18 0.00 2.01 -1.13 -4.77 115.64 109.32 1r44 s THR 23 Ca 0.43 -1.98 0.28 0.00 0.31 0.00 0.00 61.69 60.73 1r44 s THR 23 Cb 0.28 -2.18 0.24 0.00 0.01 0.00 0.00 72.50 70.85 1r44 s THR 23 CO 0.20 -0.41 1.77 0.79 -0.69 0.00 0.00 174.62 176.27 1r44 n TRP 24 N -0.26 0.00 -2.14 4.92 8.01 -1.26 -2.52 117.44 124.19 1r44 n TRP 24 Ca -0.06 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.73 1r44 n TRP 24 Cb 0.64 -0.34 -0.00 0.00 -2.01 0.00 0.00 31.31 29.60 1r44 n TRP 24 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1r44 n ASP 25 N -1.35 7.35 -3.74 -0.99 2.03 -1.26 -3.96 116.55 114.62 1r44 n ASP 25 Ca 0.09 -3.18 -0.16 0.00 0.52 0.00 0.00 54.79 52.05 1r44 n ASP 25 Cb 0.32 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 1r44 n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1r44 s ASN 26 N 0.28 1.08 0.40 1.67 4.22 -1.26 -4.86 114.94 116.47 1r44 s ASN 26 Ca 0.49 -1.60 0.29 0.00 -2.14 0.00 0.00 52.86 49.90 1r44 s ASN 26 Cb 0.16 0.47 1.34 0.00 1.28 0.00 0.00 41.25 44.51 1r44 s ASN 26 CO -0.07 -0.96 1.86 2.19 -2.04 0.00 0.00 177.10 178.08 1r44 h PHE 27 N 2.33 0.00 0.00 1.54 -5.15 -1.93 -1.58 116.94 112.16 1r44 h PHE 27 Ca -0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 1r44 h PHE 27 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1r44 h PHE 27 CO 1.12 0.00 -0.37 1.79 -2.00 0.00 0.00 178.31 178.85 1r44 h THR 28 N 0.00 0.00 0.00 0.88 1.35 -1.97 -3.43 112.91 109.74 1r44 h THR 28 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1r44 h THR 28 Cb 0.26 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1r44 h THR 28 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1r44 n GLY 29 N 1.26 2.14 3.43 5.82 0.00 -0.59 -4.99 105.19 112.25 1r44 n GLY 29 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1r44 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r44 s LYS 30 N -0.19 1.66 0.46 1.61 1.02 -1.25 -4.68 119.74 118.36 1r44 s LYS 30 Ca 0.00 -1.94 -0.25 0.00 0.02 0.00 0.00 55.97 53.80 1r44 s LYS 30 Cb 0.00 -0.65 -0.08 0.00 -0.52 0.00 0.00 37.83 36.58 1r44 s LYS 30 CO 0.00 -0.29 1.40 -2.14 -0.92 0.00 0.00 175.35 173.40 1r44 s PRO 31 N -3.88 3.65 0.09 -1.68 0.02 -1.05 -4.58 135.00 127.57 1r44 s PRO 31 Ca 0.34 2.36 -0.16 0.00 0.02 0.00 0.00 61.00 63.56 1r44 s PRO 31 Cb 0.07 -2.61 -0.07 0.00 0.02 0.00 0.00 34.50 31.91 1r44 s PRO 31 CO 0.15 -0.82 0.53 0.08 -0.33 0.00 0.00 177.00 176.60 1r44 s VAL 32 N -1.23 4.85 0.21 3.83 1.01 0.90 -4.97 120.40 125.00 1r44 s VAL 32 Ca 0.62 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1r44 s VAL 32 Cb -0.42 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 1r44 s VAL 32 CO 0.54 0.42 1.73 -0.67 0.00 0.00 0.00 175.10 177.12 1r44 n ASP 33 N 1.32 4.00 0.00 3.32 2.03 -1.26 -1.81 116.55 124.15 1r44 n ASP 33 Ca -0.09 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1r44 n ASP 33 Cb 0.52 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1r44 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r44 n GLY 34 N 3.98 1.02 3.23 0.27 0.00 -1.26 -2.67 105.19 109.76 1r44 n GLY 34 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1r44 n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r44 s TYR 35 N -2.22 3.41 -1.30 1.61 2.02 -0.75 0.10 117.35 120.21 1r44 s TYR 35 Ca 0.00 -1.79 0.16 0.00 -0.37 0.00 0.00 57.07 55.07 1r44 s TYR 35 Cb 0.00 -3.57 -0.05 0.00 -0.40 0.00 0.00 41.96 37.94 1r44 s TYR 35 CO 0.00 -1.00 0.81 0.39 -1.57 0.00 0.00 175.55 174.19 1r44 n GLU 36 N 4.88 1.72 -4.37 -0.62 1.02 0.69 -4.69 120.64 119.27 1r44 n GLU 36 Ca -0.08 -0.61 -0.19 0.00 -0.02 0.00 0.00 57.16 56.26 1r44 n GLU 36 Cb 0.41 -1.27 -0.15 0.00 -0.02 0.00 0.00 31.44 30.41 1r44 n GLU 36 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r44 s VAL 37 N -2.05 0.73 -1.40 2.62 1.01 -0.81 -4.92 120.40 115.57 1r44 s VAL 37 Ca 0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1r44 s VAL 37 Cb 0.13 -0.62 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1r44 s VAL 37 CO 0.47 0.21 2.12 -3.20 0.00 0.00 0.00 175.10 174.70 1r44 n ASN 38 N 2.98 4.52 -4.03 3.32 2.85 -1.26 -4.71 115.26 118.93 1r44 n ASN 38 Ca -0.15 -2.94 -0.08 0.00 -0.11 0.00 0.00 54.58 51.30 1r44 n ASN 38 Cb 0.56 -1.58 -0.09 0.00 1.24 0.00 0.00 39.78 39.91 1r44 n ASN 38 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1r44 s ARG 39 N 2.05 0.80 -0.27 1.20 0.52 -1.26 -4.74 118.95 117.25 1r44 s ARG 39 Ca 0.45 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 54.37 1r44 s ARG 39 Cb 0.13 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 1r44 s ARG 39 CO -0.05 -0.21 0.11 0.42 0.02 0.00 0.00 175.30 175.58 1r44 s ILE 40 N -3.94 4.57 0.08 1.52 -1.09 -1.26 -4.77 121.20 116.31 1r44 s ILE 40 Ca 0.12 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1r44 s ILE 40 Cb 0.07 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1r44 s ILE 40 CO -0.06 0.26 0.15 -0.69 -1.23 0.00 0.00 174.94 173.37 1r44 s VAL 41 N 1.64 4.92 0.10 2.92 1.01 -1.26 -0.14 120.40 129.60 1r44 s VAL 41 Ca 0.06 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 1r44 s VAL 41 Cb -0.16 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1r44 s VAL 41 CO 0.06 0.10 0.91 -0.83 0.00 0.00 0.00 175.10 175.34 1r44 s GLY 42 N -2.53 -0.33 0.47 4.51 0.00 0.68 0.88 107.32 110.99 1r44 s GLY 42 Ca 0.32 0.46 -0.24 0.00 0.00 0.00 0.00 44.72 45.27 1r44 s GLY 42 CO 0.25 0.13 1.28 -1.59 0.00 0.00 0.00 173.10 173.17 1r44 s THR 43 N -3.26 2.60 0.45 0.90 2.01 0.30 0.08 115.64 118.71 1r44 s THR 43 Ca 0.09 0.49 0.19 0.00 0.31 0.00 0.00 61.69 62.76 1r44 s THR 43 Cb -0.01 -3.26 0.38 0.00 0.01 0.00 0.00 72.50 69.62 1r44 s THR 43 CO -0.03 0.02 1.90 1.88 -0.69 0.00 0.00 174.62 177.71 1r44 h TYR 44 N 2.10 0.41 -0.13 4.92 0.05 -1.43 -0.91 116.97 121.98 1r44 h TYR 44 Ca -0.50 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.15 1r44 h TYR 44 Cb 1.26 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 1r44 h TYR 44 CO 0.51 0.13 -0.53 0.93 -1.05 0.00 0.00 178.16 178.15 1r44 h GLU 45 N 0.33 0.38 -0.16 4.88 3.07 -1.91 0.13 114.58 121.29 1r44 h GLU 45 Ca 0.40 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1r44 h GLU 45 Cb 1.07 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 1r44 h GLU 45 CO -0.12 0.81 0.01 1.25 -1.40 0.00 0.00 179.01 179.57 1r44 h LEU 46 N 0.29 0.27 -0.47 1.33 5.85 -1.58 -1.50 115.31 119.50 1r44 h LEU 46 Ca 0.01 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1r44 h LEU 46 Cb 1.03 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1r44 h LEU 46 CO 0.09 0.49 0.27 0.00 -0.34 0.00 0.00 178.44 178.95 1r44 h ALA 47 N 0.79 0.60 -0.01 1.25 0.00 -1.04 0.30 119.26 121.15 1r44 h ALA 47 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1r44 h ALA 47 Cb 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1r44 h ALA 47 CO 0.01 -0.05 -0.22 0.93 0.00 0.00 0.00 179.25 179.92 1r44 h GLU 48 N 0.54 -0.33 0.00 0.00 5.08 -0.63 -0.73 114.58 118.51 1r44 h GLU 48 Ca 0.19 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1r44 h GLU 48 Cb 0.04 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1r44 h GLU 48 CO -0.10 -0.22 -0.56 0.77 -1.00 0.00 0.00 179.01 177.91 1r44 h SER 49 N -0.34 0.00 0.00 1.42 0.02 -1.01 -2.52 113.55 111.13 1r44 h SER 49 Ca 0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1r44 h SER 49 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1r44 h SER 49 CO -0.20 0.56 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.84 1r44 h LEU 50 N 0.00 0.27 -0.52 5.07 3.38 -0.12 -0.96 115.31 122.43 1r44 h LEU 50 Ca -0.01 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1r44 h LEU 50 Cb 1.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1r44 h LEU 50 CO 0.07 0.43 -0.09 0.25 0.09 0.00 0.00 178.44 179.20 1r44 h LEU 51 N 0.27 0.98 -0.60 1.67 5.85 -0.78 0.42 115.31 123.11 1r44 h LEU 51 Ca 0.05 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1r44 h LEU 51 Cb 0.41 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1r44 h LEU 51 CO 0.02 1.10 0.12 0.11 -0.34 0.00 0.00 178.44 179.45 1r44 h LYS 52 N 0.85 0.99 -0.77 1.25 1.57 -1.15 -0.72 116.57 118.59 1r44 h LYS 52 Ca 0.14 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1r44 h LYS 52 Cb 0.65 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1r44 h LYS 52 CO 0.04 0.92 0.40 0.00 -0.57 0.00 0.00 179.45 180.24 1r44 h ALA 53 N 1.03 0.99 -0.21 3.86 0.00 -0.80 0.27 119.26 124.40 1r44 h ALA 53 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r44 h ALA 53 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r44 h ALA 53 CO 0.01 0.52 0.12 -0.22 0.00 0.00 0.00 179.25 179.68 1r44 h LYS 54 N 1.07 0.30 -0.09 0.00 3.11 0.14 -1.57 116.57 119.53 1r44 h LYS 54 Ca 0.27 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1r44 h LYS 54 Cb 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1r44 h LYS 54 CO -0.04 0.28 0.03 0.93 -2.81 0.00 0.00 179.45 177.85 1r44 h GLU 55 N 0.24 0.14 0.00 1.90 5.08 -0.96 -2.78 114.58 118.20 1r44 h GLU 55 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1r44 h GLU 55 Cb 0.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r44 h GLU 55 CO -0.01 0.27 -0.01 1.25 -1.00 0.00 0.00 179.01 179.51 1r44 h LEU 56 N -0.02 0.00 -7.30 1.33 5.85 -0.33 -3.12 115.31 111.71 1r44 h LEU 56 Ca 0.03 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.29 1r44 h LEU 56 Cb 0.19 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.23 1r44 h LEU 56 CO -0.00 0.01 1.49 0.00 -0.34 0.00 0.00 178.44 179.60 1r44 n ALA 57 N -2.25 2.16 0.00 1.25 0.00 -0.60 0.06 120.51 121.12 1r44 n ALA 57 Ca -0.03 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1r44 n ALA 57 Cb 0.10 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.99 1r44 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r44 n ALA 58 N 11.63 1.69 -1.54 0.00 0.00 -1.18 -4.32 120.51 126.79 1r44 n ALA 58 Ca 0.47 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.74 1r44 n ALA 58 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 1r44 n ALA 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1r44 n THR 59 N -1.24 -0.00 -1.31 0.00 -1.04 0.11 -4.34 114.28 106.46 1r44 n THR 59 Ca 0.00 -0.50 0.16 0.00 -2.04 0.00 0.00 64.05 61.67 1r44 n THR 59 Cb 0.00 -1.24 -0.06 0.00 -1.82 0.00 0.00 70.33 67.22 1r44 n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r44 n GLN 60 N 7.55 -2.67 -2.72 -2.82 1.13 -1.26 -4.24 117.38 112.35 1r44 n GLN 60 Ca 0.55 1.97 -0.43 0.00 -1.94 0.00 0.00 57.00 57.14 1r44 n GLN 60 Cb 0.32 -3.26 0.00 0.00 0.11 0.00 0.00 30.24 27.41 1r44 n GLN 60 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r44 n GLY 61 N -3.94 3.23 3.47 1.08 0.00 -1.26 -4.73 105.19 103.03 1r44 n GLY 61 Ca -0.03 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1r44 n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r44 s TYR 62 N 2.53 2.83 0.28 1.61 2.02 -1.26 0.62 117.35 125.98 1r44 s TYR 62 Ca 0.47 -0.29 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 1r44 s TYR 62 Cb 0.01 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1r44 s TYR 62 CO 0.03 0.06 0.14 0.20 -1.57 0.00 0.00 175.55 174.42 1r44 s GLY 63 N -0.27 1.62 -0.10 0.71 0.00 0.11 -4.60 107.32 104.79 1r44 s GLY 63 Ca 0.02 -1.59 -0.05 0.00 0.00 0.00 0.00 44.72 43.11 1r44 s GLY 63 CO 0.03 -1.60 0.10 1.08 0.00 0.00 0.00 173.10 172.71 1r44 s LEU 64 N -3.82 4.15 -0.22 0.66 1.43 -1.26 -0.54 118.68 119.08 1r44 s LEU 64 Ca 0.34 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1r44 s LEU 64 Cb -0.06 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1r44 s LEU 64 CO 0.23 0.39 -0.12 -0.22 0.23 0.00 0.00 176.35 176.86 1r44 s LEU 65 N -1.05 2.84 -0.01 1.79 2.96 0.43 -2.04 118.68 123.59 1r44 s LEU 65 Ca 0.15 -0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 53.02 1r44 s LEU 65 Cb -0.12 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.94 1r44 s LEU 65 CO 0.04 -0.09 0.44 -0.76 -1.32 0.00 0.00 176.35 174.67 1r44 s LEU 66 N 1.27 4.45 -0.07 -0.68 1.43 0.87 -1.31 118.68 124.64 1r44 s LEU 66 Ca 0.00 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1r44 s LEU 66 Cb -0.16 -2.65 -0.08 0.00 0.03 0.00 0.00 46.19 43.34 1r44 s LEU 66 CO -0.08 0.26 -0.01 0.79 0.23 0.00 0.00 176.35 177.55 1r44 n TRP 67 N 2.12 0.00 -3.64 0.29 8.01 0.13 -1.33 117.44 123.03 1r44 n TRP 67 Ca -0.12 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.99 1r44 n TRP 67 Cb 0.52 -0.34 -0.07 0.00 -2.01 0.00 0.00 31.31 29.41 1r44 n TRP 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r44 s ASP 68 N -4.14 -0.61 0.00 -0.99 2.15 -1.18 -2.86 116.67 109.04 1r44 s ASP 68 Ca -0.06 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1r44 s ASP 68 Cb 0.02 1.17 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 1r44 s ASP 68 CO 0.26 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 1r44 n GLY 69 N 3.04 1.64 3.72 2.66 0.00 -1.26 0.27 105.19 115.26 1r44 n GLY 69 Ca -0.16 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1r44 n GLY 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1r44 s TYR 70 N 2.42 2.93 -0.16 1.61 5.04 0.25 -4.74 117.35 124.71 1r44 s TYR 70 Ca 0.00 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1r44 s TYR 70 Cb 0.00 -4.06 0.03 0.00 0.35 0.00 0.00 41.96 38.28 1r44 s TYR 70 CO 0.00 -3.92 -0.09 0.50 -1.34 0.00 0.00 175.55 170.70 1r44 s ARG 71 N 0.90 1.80 0.56 4.97 3.52 -0.88 -4.65 118.95 125.17 1r44 s ARG 71 Ca 0.71 -0.54 -0.21 0.00 -0.13 0.00 0.00 55.73 55.57 1r44 s ARG 71 Cb -0.48 -2.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.84 1r44 s ARG 71 CO 0.34 -0.35 1.25 -2.30 -0.81 0.00 0.00 175.30 173.44 1r44 n PRO 72 N 4.82 1.43 -0.18 5.12 -0.02 -1.26 -3.14 135.00 141.77 1r44 n PRO 72 Ca -0.14 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1r44 n PRO 72 Cb 0.49 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 31.97 1r44 n PRO 72 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1r44 h LYS 73 N 1.12 0.49 0.00 -0.52 1.57 -1.53 -0.29 116.57 117.40 1r44 h LYS 73 Ca -0.50 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.20 1r44 h LYS 73 Cb 1.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1r44 h LYS 73 CO 0.55 0.33 -0.26 0.07 -0.57 0.00 0.00 179.45 179.57 1r44 h ARG 74 N 0.51 0.00 -0.54 3.15 0.11 -1.86 0.65 114.38 116.39 1r44 h ARG 74 Ca 0.37 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.35 1r44 h ARG 74 Cb 0.74 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.80 1r44 h ARG 74 CO -0.13 0.26 -0.05 0.00 0.10 0.00 0.00 179.97 180.15 1r44 h ALA 75 N 1.74 0.74 -0.62 0.08 0.00 -0.83 0.45 119.26 120.82 1r44 h ALA 75 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1r44 h ALA 75 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1r44 h ALA 75 CO 0.03 0.60 0.03 0.28 0.00 0.00 0.00 179.25 180.19 1r44 h VAL 76 N 0.87 1.26 -0.49 0.00 2.07 -0.95 -1.53 116.25 117.49 1r44 h VAL 76 Ca 0.15 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1r44 h VAL 76 Cb 0.60 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1r44 h VAL 76 CO 0.04 0.41 -0.08 0.78 0.02 0.00 0.00 177.57 178.74 1r44 h ASN 77 N 0.98 0.86 -0.76 0.57 2.35 -0.61 -2.05 115.58 116.91 1r44 h ASN 77 Ca 0.18 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1r44 h ASN 77 Cb 0.52 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1r44 h ASN 77 CO 0.03 0.97 0.44 0.00 -1.65 0.00 0.00 177.43 177.21 1r44 h PHE 79 N 1.05 0.86 -0.60 0.00 0.05 -1.05 -0.41 116.94 116.83 1r44 h PHE 79 Ca 0.27 -0.06 -0.05 0.00 3.82 0.00 0.00 57.97 61.95 1r44 h PHE 79 Cb -0.00 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 37.66 1r44 h PHE 79 CO -0.00 0.69 0.17 0.52 -0.18 0.00 0.00 178.31 179.51 1r44 h MET 80 N 0.78 0.95 -0.59 1.51 2.86 -0.66 -0.36 114.93 119.41 1r44 h MET 80 Ca 0.19 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1r44 h MET 80 Cb 0.19 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1r44 h MET 80 CO -0.02 0.85 0.29 1.96 1.06 0.00 0.00 176.91 181.06 1r44 h GLN 81 N 0.86 0.84 -0.56 1.72 1.08 -0.33 -2.25 115.11 116.48 1r44 h GLN 81 Ca 0.19 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1r44 h GLN 81 Cb 0.31 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1r44 h GLN 81 CO -0.00 0.67 0.30 2.35 -0.95 0.00 0.00 178.83 181.20 1r44 h TRP 82 N 0.80 0.78 0.00 2.96 7.01 -0.71 -1.97 115.95 124.83 1r44 h TRP 82 Ca 0.20 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1r44 h TRP 82 Cb 0.10 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1r44 h TRP 82 CO -0.00 0.58 -0.05 0.00 -2.79 0.00 0.00 178.44 176.17 1r44 h ALA 83 N 1.13 1.37 -0.00 2.65 0.00 -0.80 -1.59 119.26 122.01 1r44 h ALA 83 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r44 h ALA 83 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r44 h ALA 83 CO -0.03 0.07 -0.17 0.00 0.00 0.00 0.00 179.25 179.12 1r44 n ALA 84 N -2.28 2.86 -2.06 0.00 0.00 -0.76 -4.25 120.51 114.02 1r44 n ALA 84 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 1r44 n ALA 84 Cb 0.15 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 1r44 n ALA 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r44 s GLN 85 N -2.58 3.62 0.50 0.00 -1.52 -0.60 -5.05 119.66 114.03 1r44 s GLN 85 Ca 0.25 0.51 -0.23 0.00 -1.95 0.00 0.00 55.36 53.94 1r44 s GLN 85 Cb 0.20 -2.23 -0.07 0.00 -0.22 0.00 0.00 33.01 30.69 1r44 s GLN 85 CO 0.51 -0.35 1.40 -1.25 -0.25 0.00 0.00 175.29 175.35 1r44 s PRO 86 N -4.81 3.40 -0.47 2.91 0.04 -1.26 -4.94 135.00 129.88 1r44 s PRO 86 Ca 0.52 2.34 -0.28 0.00 0.04 0.00 0.00 61.00 63.62 1r44 s PRO 86 Cb -0.11 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1r44 s PRO 86 CO 0.47 -1.02 1.40 -2.00 0.04 0.00 0.00 177.00 175.89 1r44 s GLU 87 N -2.68 3.49 0.00 4.56 2.56 -1.26 -4.84 118.70 120.52 1r44 s GLU 87 Ca 0.66 0.75 0.27 0.00 0.00 0.00 0.00 54.97 56.65 1r44 s GLU 87 Cb -0.42 -4.05 0.88 0.00 2.00 0.00 0.00 34.13 32.53 1r44 s GLU 87 CO 0.52 -1.68 1.65 0.27 -0.56 0.00 0.00 175.26 175.46 1r44 n ASN 88 N 9.03 1.75 -1.02 -1.70 2.04 -1.26 -4.95 115.26 119.16 1r44 n ASN 88 Ca 0.15 -1.57 -0.12 0.00 -0.44 0.00 0.00 54.58 52.61 1r44 n ASN 88 Cb 0.48 0.01 -0.05 0.00 -2.53 0.00 0.00 39.78 37.69 1r44 n ASN 88 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1r44 n ASN 89 N 0.35 -4.64 -0.10 0.53 3.02 -1.26 -4.88 115.26 108.29 1r44 n ASN 89 Ca 0.18 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.91 1r44 n ASN 89 Cb 0.40 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 1r44 n ASN 89 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1r44 h LEU 90 N 0.00 0.48 -2.36 3.41 5.85 -1.98 -3.31 115.31 117.39 1r44 h LEU 90 Ca -0.24 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1r44 h LEU 90 Cb 1.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1r44 h LEU 90 CO 0.35 0.64 0.00 0.35 -0.34 0.00 0.00 178.44 179.44 1r44 n THR 91 N -4.62 0.67 0.21 1.05 -2.24 -1.26 -4.83 114.28 103.27 1r44 n THR 91 Ca -0.03 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.77 1r44 n THR 91 Cb 0.23 0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 1r44 n THR 91 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1r44 h LYS 92 N 0.40 -0.47 -0.98 -0.78 3.64 -1.91 -1.84 116.57 114.63 1r44 h LYS 92 Ca 0.00 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.62 1r44 h LYS 92 Cb 0.40 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.21 1r44 h LYS 92 CO 0.00 -0.29 0.56 0.93 -2.27 0.00 0.00 179.45 178.39 1r44 h GLU 93 N -0.52 0.63 0.02 1.90 4.39 -1.86 0.26 114.58 119.39 1r44 h GLU 93 Ca -0.05 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.33 1r44 h GLU 93 Cb 0.40 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1r44 h GLU 93 CO 0.08 0.41 -1.57 0.77 -1.16 0.00 0.00 179.01 177.55 1r44 h SER 94 N 0.64 0.07 0.00 1.42 0.02 -1.90 -3.39 113.55 110.41 1r44 h SER 94 Ca 0.59 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 1r44 h SER 94 Cb 1.01 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1r44 h SER 94 CO -0.43 1.10 -1.46 -1.22 -1.14 0.00 0.00 176.83 173.68 1r44 n TYR 95 N -3.18 0.00 -2.73 3.45 4.02 -0.70 -4.80 117.16 113.23 1r44 n TYR 95 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1r44 n TYR 95 Cb 1.03 -0.28 0.09 0.00 -0.02 0.00 0.00 39.34 40.16 1r44 n TYR 95 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1r44 n TYR 96 N -2.00 -2.74 -1.14 -0.72 0.18 0.82 -3.86 117.16 107.70 1r44 n TYR 96 Ca -0.06 -2.01 -0.30 0.00 1.88 0.00 0.00 57.90 57.41 1r44 n TYR 96 Cb 0.44 1.60 0.14 0.00 -0.38 0.00 0.00 39.34 41.15 1r44 n TYR 96 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1r44 s PRO 97 N 0.28 1.19 0.00 -3.48 0.04 -0.70 -3.72 135.00 128.60 1r44 s PRO 97 Ca 0.23 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1r44 s PRO 97 Cb 0.29 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 33.03 1r44 s PRO 97 CO -0.07 -2.31 0.00 0.09 0.04 0.00 0.00 177.00 174.75 1r44 n ASN 98 N -3.94 0.00 -4.51 6.66 3.02 -1.26 -4.90 115.26 110.32 1r44 n ASN 98 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 1r44 n ASN 98 Cb 0.55 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.51 1r44 n ASN 98 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1r44 s ILE 99 N -0.22 1.11 0.54 2.41 -4.36 -1.24 -5.14 121.20 114.30 1r44 s ILE 99 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1r44 s ILE 99 Cb 0.00 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1r44 s ILE 99 CO 0.00 0.00 0.21 1.51 0.24 0.00 0.00 174.94 176.90 1r44 s ASP 100 N -3.73 4.39 0.41 4.36 1.47 -1.26 -4.91 116.67 117.40 1r44 s ASP 100 Ca 0.18 -1.49 0.14 0.00 1.18 0.00 0.00 52.55 52.57 1r44 s ASP 100 Cb 0.04 0.59 0.99 0.00 -0.34 0.00 0.00 42.92 44.20 1r44 s ASP 100 CO 0.10 -1.04 1.91 0.03 0.68 0.00 0.00 175.17 176.85 1r44 h ARG 101 N 0.99 0.47 0.31 2.11 3.08 -1.92 -2.02 114.38 117.39 1r44 h ARG 101 Ca -0.40 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1r44 h ARG 101 Cb 1.32 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1r44 h ARG 101 CO 0.65 0.31 -0.15 1.15 -1.07 0.00 0.00 179.97 180.86 1r44 h THR 102 N 0.48 0.71 0.00 2.04 2.02 -1.97 -3.19 112.91 113.01 1r44 h THR 102 Ca 0.38 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1r44 h THR 102 Cb 0.79 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1r44 h THR 102 CO -0.13 0.10 -0.02 -0.33 0.37 0.00 0.00 175.52 175.50 1r44 h GLU 103 N -0.69 0.00 0.00 6.66 5.08 -1.83 -0.06 114.58 123.75 1r44 h GLU 103 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1r44 h GLU 103 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1r44 h GLU 103 CO 0.07 0.02 0.00 0.52 -1.00 0.00 0.00 179.01 178.62 1r44 h MET 104 N 0.00 0.00 0.00 2.33 2.86 -1.36 -0.73 114.93 118.03 1r44 h MET 104 Ca -0.00 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.21 1r44 h MET 104 Cb 0.04 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1r44 h MET 104 CO 0.00 0.00 -2.52 -0.89 1.06 0.00 0.00 176.91 174.56 1r44 n ILE 105 N -2.36 1.51 -0.14 -1.22 5.41 -0.06 0.86 119.36 123.35 1r44 n ILE 105 Ca -0.01 -0.47 0.24 0.00 1.00 0.00 0.00 62.75 63.52 1r44 n ILE 105 Cb 0.10 -1.68 0.66 0.00 -0.71 0.00 0.00 39.64 38.01 1r44 n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1r44 h SER 106 N -0.56 0.10 -0.53 4.38 0.02 -1.11 -2.48 113.55 113.36 1r44 h SER 106 Ca -0.65 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1r44 h SER 106 Cb 1.74 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1r44 h SER 106 CO -0.28 0.04 0.00 0.29 -1.14 0.00 0.00 176.83 175.74 1r44 n LYS 107 N -4.35 2.58 -0.81 3.45 5.02 -0.32 -4.95 118.16 118.77 1r44 n LYS 107 Ca 0.16 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 1r44 n LYS 107 Cb 0.80 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1r44 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r44 n GLY 108 N 1.57 0.57 0.12 0.72 0.00 -0.93 -4.96 105.19 102.28 1r44 n GLY 108 Ca 0.21 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1r44 n GLY 108 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1r44 h TYR 109 N 0.00 0.62 -3.19 1.61 0.99 -1.73 -3.43 116.97 111.84 1r44 h TYR 109 Ca 0.00 -0.45 -0.67 0.00 2.00 0.00 0.00 58.73 59.61 1r44 h TYR 109 Cb 0.00 -0.02 -0.33 0.00 1.00 0.00 0.00 36.73 37.38 1r44 h TYR 109 CO 0.00 1.39 -0.84 0.08 -0.00 0.00 0.00 178.16 178.79 1r44 s VAL 110 N -2.63 2.31 -0.07 -2.88 1.01 0.25 -4.99 120.40 113.40 1r44 s VAL 110 Ca -0.07 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1r44 s VAL 110 Cb 0.06 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1r44 s VAL 110 CO 0.89 0.53 0.62 0.00 0.00 0.00 0.00 175.10 177.14 1r44 s ALA 111 N 1.03 3.40 0.41 5.51 0.00 -1.26 -4.48 121.76 126.36 1r44 s ALA 111 Ca -0.02 0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.09 1r44 s ALA 111 Cb -0.15 -2.83 0.96 0.00 0.00 0.00 0.00 23.12 21.10 1r44 s ALA 111 CO -0.05 -0.02 1.95 0.77 0.00 0.00 0.00 175.76 178.40 1r44 h SER 112 N 6.54 0.46 -3.55 0.00 0.02 -1.94 -3.38 113.55 111.69 1r44 h SER 112 Ca -0.42 0.01 -0.42 0.00 -0.84 0.00 0.00 61.79 60.12 1r44 h SER 112 Cb 1.19 -0.08 -0.33 0.00 0.14 0.00 0.00 62.40 63.32 1r44 h SER 112 CO 0.74 0.27 -0.78 -0.75 -1.14 0.00 0.00 176.83 175.17 1r44 s LYS 113 N -5.48 0.96 -0.02 3.45 2.20 -1.26 -4.87 119.74 114.72 1r44 s LYS 113 Ca -0.08 -0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1r44 s LYS 113 Cb 0.20 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 1r44 s LYS 113 CO 0.76 -0.01 -0.24 0.45 -0.36 0.00 0.00 175.35 175.95 1r44 s SER 114 N 0.66 2.82 0.66 1.43 0.15 -1.26 -4.98 113.70 113.17 1r44 s SER 114 Ca -0.10 -0.44 0.42 0.00 0.70 0.00 0.00 55.95 56.54 1r44 s SER 114 Cb -0.13 -0.31 2.33 0.00 -1.71 0.00 0.00 66.02 66.19 1r44 s SER 114 CO 0.01 0.29 2.35 0.77 1.20 0.00 0.00 173.24 177.86 1r44 h SER 115 N 5.52 0.00 -0.10 5.45 4.64 -1.98 -2.41 113.55 124.67 1r44 h SER 115 Ca -0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.82 1r44 h SER 115 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1r44 h SER 115 CO 0.47 0.00 -0.20 0.45 -0.87 0.00 0.00 176.83 176.68 1r44 h HIS 116 N 0.00 0.56 0.00 4.77 3.86 -1.89 -2.45 115.15 119.99 1r44 h HIS 116 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1r44 h HIS 116 Cb 0.02 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1r44 h HIS 116 CO 0.00 0.67 0.00 0.43 0.86 0.00 0.00 177.93 179.89 1r44 n SER 117 N -4.15 0.50 -0.15 2.45 7.64 -0.91 -1.69 113.62 117.32 1r44 n SER 117 Ca 0.00 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.68 1r44 n SER 117 Cb 0.38 -0.76 0.42 0.00 -1.01 0.00 0.00 64.21 63.24 1r44 n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1r44 n ARG 118 N -2.11 0.58 -0.74 1.43 1.74 -0.92 -0.62 116.66 116.02 1r44 n ARG 118 Ca 0.01 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 1r44 n ARG 118 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1r44 n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r44 n GLY 119 N 1.37 0.87 0.15 -0.13 0.00 -0.68 -4.61 105.19 102.15 1r44 n GLY 119 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1r44 n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r44 n SER 120 N 0.00 2.31 -4.83 1.61 7.64 -1.26 -0.54 113.62 118.54 1r44 n SER 120 Ca 0.00 -2.32 -0.31 0.00 1.01 0.00 0.00 58.87 57.25 1r44 n SER 120 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1r44 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r44 s ALA 121 N -1.55 3.75 -0.04 -0.43 0.00 -1.26 -1.40 121.76 120.82 1r44 s ALA 121 Ca 0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 1r44 s ALA 121 Cb 0.10 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.63 1r44 s ALA 121 CO 0.03 0.78 0.15 -1.50 0.00 0.00 0.00 175.76 175.22 1r44 s ILE 122 N -1.42 0.03 -0.17 0.00 1.10 0.08 -4.20 121.20 116.62 1r44 s ILE 122 Ca 0.31 -0.21 -0.03 0.00 -0.51 0.00 0.00 60.65 60.21 1r44 s ILE 122 Cb -0.12 -0.28 -0.02 0.00 0.15 0.00 0.00 42.46 42.18 1r44 s ILE 122 CO 0.24 -0.11 -0.05 -1.81 -2.11 0.00 0.00 174.94 171.09 1r44 s ASP 123 N -0.35 4.53 0.21 4.50 1.01 0.14 -1.56 116.67 125.15 1r44 s ASP 123 Ca -0.04 -0.24 -0.21 0.00 0.71 0.00 0.00 52.55 52.77 1r44 s ASP 123 Cb -0.03 -1.75 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1r44 s ASP 123 CO 0.01 0.11 0.62 -1.48 0.21 0.00 0.00 175.17 174.63 1r44 s LEU 124 N 0.73 -0.27 0.00 1.23 2.34 -0.93 0.20 118.68 121.98 1r44 s LEU 124 Ca -0.02 -0.36 0.01 0.00 0.06 0.00 0.00 54.13 53.82 1r44 s LEU 124 Cb -0.15 2.51 -0.00 0.00 -0.56 0.00 0.00 46.19 47.99 1r44 s LEU 124 CO 0.02 -1.13 0.05 0.41 -1.06 0.00 0.00 176.35 174.64 1r44 n THR 125 N -0.40 0.00 -4.30 5.48 -1.04 -0.43 -4.62 114.28 108.97 1r44 n THR 125 Ca -0.10 -0.91 -0.30 0.00 -2.04 0.00 0.00 64.05 60.69 1r44 n THR 125 Cb 0.62 0.30 -0.10 0.00 -1.82 0.00 0.00 70.33 69.33 1r44 n THR 125 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1r44 s LEU 126 N 0.00 3.03 0.18 -4.42 1.43 -1.26 -0.43 118.68 117.21 1r44 s LEU 126 Ca 0.07 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1r44 s LEU 126 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1r44 s LEU 126 CO 0.05 0.20 -0.16 -0.72 0.23 0.00 0.00 176.35 175.94 1r44 s TYR 127 N -1.16 1.74 0.10 0.29 -0.85 0.29 -1.99 117.35 115.78 1r44 s TYR 127 Ca 0.20 -0.52 -0.31 0.00 -0.52 0.00 0.00 57.07 55.93 1r44 s TYR 127 Cb -0.11 -0.84 -0.07 0.00 0.38 0.00 0.00 41.96 41.31 1r44 s TYR 127 CO 0.12 0.33 1.34 1.03 -1.52 0.00 0.00 175.55 176.85 1r44 s ARG 128 N -3.14 4.35 0.14 -3.49 1.81 0.92 0.05 118.95 119.59 1r44 s ARG 128 Ca 0.18 2.00 -0.06 0.00 -1.72 0.00 0.00 55.73 56.13 1r44 s ARG 128 Cb -0.04 -3.27 -0.06 0.00 -0.45 0.00 0.00 34.95 31.14 1r44 s ARG 128 CO 0.06 -0.39 1.35 1.25 -0.68 0.00 0.00 175.30 176.90 1r44 h LEU 129 N 6.76 0.65 -0.10 2.53 5.85 -0.13 0.27 115.31 131.14 1r44 h LEU 129 Ca -0.42 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 57.81 1r44 h LEU 129 Cb 1.21 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1r44 h LEU 129 CO 0.85 1.23 -0.08 -2.24 -0.34 0.00 0.00 178.44 177.86 1r44 h ASP 130 N 0.35 0.24 0.77 1.25 -0.00 -1.93 -3.32 116.42 113.78 1r44 h ASP 130 Ca -0.06 -0.46 -0.16 0.00 -0.00 0.00 0.00 57.03 56.36 1r44 h ASP 130 Cb 1.42 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 40.66 1r44 h ASP 130 CO 0.15 0.65 -1.33 0.74 -0.00 0.00 0.00 179.24 179.44 1r44 h THR 131 N -0.17 0.50 0.00 1.15 2.02 -1.93 -3.47 112.91 111.00 1r44 h THR 131 Ca 0.02 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1r44 h THR 131 Cb 0.57 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1r44 h THR 131 CO 0.02 0.28 0.00 0.61 0.37 0.00 0.00 175.52 176.80 1r44 n GLY 132 N 1.37 0.78 3.89 2.16 0.00 0.08 -5.01 105.19 108.46 1r44 n GLY 132 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1r44 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r44 s GLU 133 N -0.29 3.63 0.22 1.61 2.02 -1.25 -4.74 118.70 119.91 1r44 s GLU 133 Ca 0.00 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.07 1r44 s GLU 133 Cb 0.00 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.80 1r44 s GLU 133 CO 0.00 -0.20 1.33 -0.51 0.02 0.00 0.00 175.26 175.90 1r44 s LEU 134 N -4.49 4.42 -0.12 1.80 1.43 -1.26 -0.06 118.68 120.39 1r44 s LEU 134 Ca 0.50 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 55.78 1r44 s LEU 134 Cb -0.10 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1r44 s LEU 134 CO 0.41 -0.55 1.28 -0.69 0.23 0.00 0.00 176.35 177.04 1r44 s VAL 135 N -0.06 4.20 0.10 -1.59 1.01 -0.84 -4.79 120.40 118.43 1r44 s VAL 135 Ca 0.56 1.47 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 1r44 s VAL 135 Cb -0.38 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1r44 s VAL 135 CO 0.40 -0.10 1.53 -2.16 0.00 0.00 0.00 175.10 174.78 1r44 s PRO 136 N 3.19 4.24 0.00 2.72 0.04 -1.26 -4.82 135.00 139.11 1r44 s PRO 136 Ca 0.57 2.23 0.03 0.00 0.04 0.00 0.00 61.00 63.87 1r44 s PRO 136 Cb -0.24 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1r44 s PRO 136 CO 0.18 -0.60 0.41 -1.33 0.04 0.00 0.00 177.00 175.70 1r44 n MET 137 N 4.66 2.17 0.00 4.56 2.81 -1.26 -4.32 117.12 125.74 1r44 n MET 137 Ca 0.14 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 1r44 n MET 137 Cb 0.41 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1r44 n MET 137 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r44 n GLY 138 N 0.56 2.96 3.13 3.03 0.00 -1.26 -4.79 105.19 108.82 1r44 n GLY 138 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1r44 n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r44 s SER 139 N -0.05 0.22 0.64 1.61 1.04 -1.26 -5.01 113.70 110.89 1r44 s SER 139 Ca 0.00 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 1r44 s SER 139 Cb 0.00 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1r44 s SER 139 CO 0.00 -0.57 1.04 -0.60 0.98 0.00 0.00 173.24 174.09 1r44 s ARG 140 N -3.12 3.43 0.20 4.02 3.52 -1.26 -4.98 118.95 120.75 1r44 s ARG 140 Ca -0.01 0.75 -0.32 0.00 -0.13 0.00 0.00 55.73 56.02 1r44 s ARG 140 Cb 0.02 -2.06 -0.14 0.00 -1.56 0.00 0.00 34.95 31.21 1r44 s ARG 140 CO -0.07 -0.70 1.43 0.34 -0.81 0.00 0.00 175.30 175.49 1r44 n PHE 141 N -2.83 2.07 -3.01 5.12 7.35 -1.26 -1.65 117.46 123.24 1r44 n PHE 141 Ca 0.06 0.42 -0.23 0.00 -0.76 0.00 0.00 57.45 56.95 1r44 n PHE 141 Cb 0.54 -2.46 0.04 0.00 0.35 0.00 0.00 39.48 37.95 1r44 n PHE 141 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1r44 n ASP 142 N 2.52 -6.17 0.17 -2.13 8.00 -1.26 -4.95 116.55 112.74 1r44 n ASP 142 Ca 0.14 -0.28 0.04 0.00 0.71 0.00 0.00 54.79 55.40 1r44 n ASP 142 Cb 0.29 -4.98 0.28 0.00 -0.02 0.00 0.00 41.12 36.69 1r44 n ASP 142 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1r44 h PHE 143 N -1.37 0.00 -4.96 1.24 3.57 -1.53 -3.44 116.94 110.45 1r44 h PHE 143 Ca -0.53 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.70 1r44 h PHE 143 Cb 1.37 0.00 0.14 0.00 2.79 0.00 0.00 35.95 40.25 1r44 h PHE 143 CO 0.53 0.43 -0.62 -1.33 -2.23 0.00 0.00 178.31 175.09 1r44 n MET 144 N -3.56 -5.42 -3.69 1.11 2.81 -1.25 -4.10 117.12 103.00 1r44 n MET 144 Ca -0.00 0.69 -0.10 0.00 -1.81 0.00 0.00 57.70 56.48 1r44 n MET 144 Cb 0.55 -5.23 -0.04 0.00 -0.71 0.00 0.00 33.22 27.78 1r44 n MET 144 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1r44 s ASP 145 N -4.07 -0.25 0.51 7.83 2.15 -1.26 -4.68 116.67 116.89 1r44 s ASP 145 Ca 0.02 -0.42 0.34 0.00 0.43 0.00 0.00 52.55 52.93 1r44 s ASP 145 Cb -0.01 0.54 1.71 0.00 -0.30 0.00 0.00 42.92 44.86 1r44 s ASP 145 CO 0.59 -0.97 2.04 -0.33 -0.17 0.00 0.00 175.17 176.33 1r44 h GLU 146 N 2.26 0.00 -0.12 4.34 5.08 -1.93 -1.06 114.58 123.15 1r44 h GLU 146 Ca -0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1r44 h GLU 146 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1r44 h GLU 146 CO 0.41 0.00 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.24 1r44 h ARG 147 N 0.00 0.17 0.00 2.33 9.65 -1.95 -2.46 114.38 122.12 1r44 h ARG 147 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1r44 h ARG 147 Cb 0.18 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1r44 h ARG 147 CO 0.00 0.28 0.00 0.43 2.80 0.00 0.00 179.97 183.48 1r44 n SER 148 N -4.33 0.00 -4.76 -3.80 7.64 -0.40 -4.77 113.62 103.20 1r44 n SER 148 Ca -0.01 0.50 -0.38 0.00 1.01 0.00 0.00 58.87 59.99 1r44 n SER 148 Cb 0.23 -0.50 0.02 0.00 -1.01 0.00 0.00 64.21 62.95 1r44 n SER 148 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1r44 s HIS 149 N -3.00 2.53 0.26 1.43 3.76 -0.93 -1.41 115.29 117.93 1r44 s HIS 149 Ca 0.13 1.43 -0.05 0.00 -0.15 0.00 0.00 55.06 56.42 1r44 s HIS 149 Cb 0.18 -3.64 0.28 0.00 1.11 0.00 0.00 32.58 30.52 1r44 s HIS 149 CO 0.50 -2.34 1.93 0.45 -0.85 0.00 0.00 174.74 174.43 1r44 h HIS 150 N 1.74 1.23 -0.03 1.40 3.86 -0.82 -2.60 115.15 119.93 1r44 h HIS 150 Ca -0.50 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1r44 h HIS 150 Cb 1.28 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1r44 h HIS 150 CO 0.49 0.78 0.00 0.00 0.86 0.00 0.00 177.93 180.06 1r44 n ALA 151 N -2.39 2.62 -1.76 2.45 0.00 -1.26 -4.95 120.51 115.22 1r44 n ALA 151 Ca 0.11 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1r44 n ALA 151 Cb 0.02 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.16 1r44 n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r44 n ALA 152 N -0.56 2.00 -2.72 0.00 0.00 -0.98 -5.04 120.51 113.21 1r44 n ALA 152 Ca 0.18 0.24 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1r44 n ALA 152 Cb 0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 1r44 n ALA 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r44 s ASN 153 N -0.50 5.63 0.00 0.00 4.22 -1.26 -4.55 114.94 118.48 1r44 s ASN 153 Ca 0.62 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 51.08 1r44 s ASN 153 Cb -0.45 -1.34 0.00 0.00 1.28 0.00 0.00 41.25 40.74 1r44 s ASN 153 CO 0.57 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 176.07 1r44 n GLY 154 N -1.31 0.72 3.20 0.45 0.00 -1.26 -4.85 105.19 102.13 1r44 n GLY 154 Ca -0.06 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1r44 n GLY 154 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r44 s ILE 155 N -2.00 1.61 1.24 -0.61 1.09 -1.26 -5.10 121.20 116.17 1r44 s ILE 155 Ca 0.00 -0.85 -0.18 0.00 -1.10 0.00 0.00 60.65 58.52 1r44 s ILE 155 Cb 0.00 -1.36 0.30 0.00 -1.06 0.00 0.00 42.46 40.34 1r44 s ILE 155 CO 0.00 0.46 1.03 -0.94 -0.10 0.00 0.00 174.94 175.39 1r44 s SER 156 N -0.28 0.48 0.25 3.58 1.04 -1.26 -4.73 113.70 112.78 1r44 s SER 156 Ca 0.03 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1r44 s SER 156 Cb -0.10 -1.40 0.31 0.00 0.10 0.00 0.00 66.02 64.93 1r44 s SER 156 CO 0.01 -4.43 1.63 0.00 0.98 0.00 0.00 173.24 171.42 1r44 h ASN 158 N 0.31 -0.25 -0.59 0.00 2.35 -1.96 -0.97 115.58 114.47 1r44 h ASN 158 Ca 0.02 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1r44 h ASN 158 Cb 0.91 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.28 1r44 h ASN 158 CO 0.08 0.16 0.25 -0.33 -1.65 0.00 0.00 177.43 175.94 1r44 h GLU 159 N -0.70 0.45 -0.64 0.81 5.08 -1.74 0.54 114.58 118.37 1r44 h GLU 159 Ca -0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1r44 h GLU 159 Cb 0.49 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1r44 h GLU 159 CO 0.05 0.30 0.16 0.00 -1.00 0.00 0.00 179.01 178.51 1r44 h ALA 160 N 1.37 1.06 -0.24 3.43 0.00 -1.16 -1.51 119.26 122.21 1r44 h ALA 160 Ca 0.28 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1r44 h ALA 160 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1r44 h ALA 160 CO -0.25 0.62 -0.33 0.37 0.00 0.00 0.00 179.25 179.66 1r44 h GLN 161 N 0.97 0.51 -0.51 0.00 4.15 -0.06 -2.32 115.11 117.84 1r44 h GLN 161 Ca 0.21 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1r44 h GLN 161 Cb 0.34 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1r44 h GLN 161 CO 0.00 0.78 0.05 -0.91 -1.93 0.00 0.00 178.83 176.82 1r44 h ASN 162 N 0.44 0.85 -0.34 -0.69 2.35 0.50 -1.27 115.58 117.41 1r44 h ASN 162 Ca 0.05 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 1r44 h ASN 162 Cb 0.79 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1r44 h ASN 162 CO 0.06 0.92 0.06 0.03 -1.65 0.00 0.00 177.43 176.85 1r44 h ARG 163 N 0.75 0.65 -0.44 0.81 3.08 -1.18 -1.66 114.38 116.38 1r44 h ARG 163 Ca 0.15 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1r44 h ARG 163 Cb 0.45 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1r44 h ARG 163 CO 0.02 0.62 -0.04 0.00 -1.07 0.00 0.00 179.97 179.50 1r44 h ARG 164 N 0.63 0.75 -0.22 0.04 3.08 -1.15 -1.18 114.38 116.33 1r44 h ARG 164 Ca 0.14 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 1r44 h ARG 164 Cb 0.30 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1r44 h ARG 164 CO 0.00 0.79 -0.60 0.00 -1.07 0.00 0.00 179.97 179.10 1r44 h ARG 165 N 0.70 0.71 0.12 0.04 3.08 -0.57 0.20 114.38 118.66 1r44 h ARG 165 Ca 0.13 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 1r44 h ARG 165 Cb 0.49 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1r44 h ARG 165 CO 0.03 1.10 -0.06 1.25 -1.07 0.00 0.00 179.97 181.22 1r44 h LEU 166 N 0.53 -0.13 -0.48 3.04 6.46 -1.20 -1.75 115.31 121.79 1r44 h LEU 166 Ca -0.00 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1r44 h LEU 166 Cb 1.19 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 1r44 h LEU 166 CO 0.12 0.00 0.14 -0.09 -0.62 0.00 0.00 178.44 178.00 1r44 h ARG 167 N -0.26 0.29 -0.83 1.25 2.43 -1.13 -1.14 114.38 115.00 1r44 h ARG 167 Ca -0.02 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1r44 h ARG 167 Cb 0.21 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1r44 h ARG 167 CO 0.03 0.19 0.41 1.03 -1.51 0.00 0.00 179.97 180.12 1r44 h SER 168 N 0.30 1.07 -0.78 -3.80 0.87 -0.87 0.22 113.55 110.57 1r44 h SER 168 Ca 0.23 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1r44 h SER 168 Cb 0.26 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1r44 h SER 168 CO -0.26 0.89 0.32 0.40 -0.53 0.00 0.00 176.83 177.65 1r44 h ILE 169 N 1.18 1.26 -0.11 2.23 2.04 -0.76 -0.62 117.51 122.72 1r44 h ILE 169 Ca 0.29 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.27 1r44 h ILE 169 Cb 0.10 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1r44 h ILE 169 CO -0.04 0.33 -0.26 0.24 0.00 0.00 0.00 178.15 178.41 1r44 h MET 170 N 1.12 0.38 -0.85 2.37 2.86 -0.90 -2.90 114.93 117.00 1r44 h MET 170 Ca 0.26 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1r44 h MET 170 Cb 0.20 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1r44 h MET 170 CO -0.02 0.86 0.43 0.93 1.06 0.00 0.00 176.91 180.17 1r44 h GLU 171 N -0.06 1.21 0.00 1.72 5.08 -0.52 -0.72 114.58 121.29 1r44 h GLU 171 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1r44 h GLU 171 Cb 0.87 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1r44 h GLU 171 CO 0.06 0.92 0.00 0.09 -1.00 0.00 0.00 179.01 179.07 1r44 n ASN 172 N -4.33 0.00 -0.19 1.42 3.02 -0.25 -3.25 115.26 111.69 1r44 n ASN 172 Ca 0.08 -0.08 0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1r44 n ASN 172 Cb 0.12 -0.23 0.10 0.00 -0.61 0.00 0.00 39.78 39.16 1r44 n ASN 172 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r44 n SER 173 N -1.23 2.43 0.00 6.41 7.64 -0.79 -4.96 113.62 123.12 1r44 n SER 173 Ca 0.09 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1r44 n SER 173 Cb 0.12 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1r44 n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r44 n GLY 174 N -0.73 0.94 3.69 0.23 0.00 -1.15 -4.75 105.19 103.43 1r44 n GLY 174 Ca 0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1r44 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r44 s PHE 175 N -2.00 2.81 -0.11 1.61 0.40 -0.35 -0.45 117.98 119.89 1r44 s PHE 175 Ca 0.00 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1r44 s PHE 175 Cb 0.00 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 1r44 s PHE 175 CO 0.00 0.59 -0.15 -2.00 0.70 0.00 0.00 175.22 174.37 1r44 s GLU 176 N -3.68 3.17 0.57 0.44 2.56 0.23 -3.95 118.70 118.04 1r44 s GLU 176 Ca 0.32 -0.71 -0.10 0.00 0.00 0.00 0.00 54.97 54.48 1r44 s GLU 176 Cb -0.07 -2.54 0.13 0.00 2.00 0.00 0.00 34.13 33.65 1r44 s GLU 176 CO 0.21 0.29 0.71 0.00 -0.56 0.00 0.00 175.26 175.91 1r44 n ALA 177 N 3.28 -1.09 -3.73 6.30 0.00 -1.26 -1.38 120.51 122.64 1r44 n ALA 177 Ca -0.18 -0.95 -0.14 0.00 0.00 0.00 0.00 53.44 52.18 1r44 n ALA 177 Cb 0.53 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 1r44 n ALA 177 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1r44 s TYR 178 N -2.50 -0.22 0.41 0.00 5.04 -1.21 -4.80 117.35 114.07 1r44 s TYR 178 Ca 0.41 0.60 0.08 0.00 -2.44 0.00 0.00 57.07 55.72 1r44 s TYR 178 Cb -0.02 -0.08 0.87 0.00 0.35 0.00 0.00 41.96 43.08 1r44 s TYR 178 CO 0.29 -0.21 2.05 0.66 -1.34 0.00 0.00 175.55 177.00 1r44 h SER 179 N 7.46 0.47 1.09 4.32 4.64 -1.98 -2.99 113.55 126.56 1r44 h SER 179 Ca -0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1r44 h SER 179 Cb 1.14 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1r44 h SER 179 CO 0.36 0.34 -0.27 0.18 -0.87 0.00 0.00 176.83 176.56 1r44 n LEU 180 N -4.47 0.62 -3.62 5.97 4.77 -1.26 -0.15 117.00 118.85 1r44 n LEU 180 Ca 0.04 0.38 -0.24 0.00 -0.03 0.00 0.00 56.01 56.16 1r44 n LEU 180 Cb 0.10 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 40.73 1r44 n LEU 180 CO 0.35 -0.08 -0.33 -1.61 -1.33 0.00 0.00 177.39 174.39 1r44 s GLU 181 N -3.10 0.03 0.44 3.23 2.02 -1.13 -3.27 118.70 116.92 1r44 s GLU 181 Ca 0.10 0.04 0.30 0.00 0.02 0.00 0.00 54.97 55.42 1r44 s GLU 181 Cb 0.14 -1.50 1.48 0.00 0.10 0.00 0.00 34.13 34.35 1r44 s GLU 181 CO 0.64 -0.59 1.91 0.11 0.02 0.00 0.00 175.26 177.36 1r44 h TRP 182 N 8.42 0.00 0.00 1.61 5.08 -1.44 -2.77 115.95 126.85 1r44 h TRP 182 Ca -0.14 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.83 1r44 h TRP 182 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1r44 h TRP 182 CO 0.23 0.00 -1.09 -2.67 -1.28 0.00 0.00 178.44 173.63 1r44 n TRP 183 N -2.62 0.77 -2.83 0.12 2.14 -1.26 -4.84 117.44 108.92 1r44 n TRP 183 Ca -0.01 0.22 -0.41 0.00 2.07 0.00 0.00 57.50 59.38 1r44 n TRP 183 Cb 0.14 -0.84 -0.04 0.00 -0.81 0.00 0.00 31.31 29.76 1r44 n TRP 183 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1r44 s HIS 184 N -3.35 3.70 -0.09 -2.67 2.46 -1.05 -2.19 115.29 112.10 1r44 s HIS 184 Ca -0.00 1.60 -0.07 0.00 0.47 0.00 0.00 55.06 57.05 1r44 s HIS 184 Cb 0.11 -2.98 0.03 0.00 -0.13 0.00 0.00 32.58 29.61 1r44 s HIS 184 CO 0.80 0.12 0.23 0.71 -2.47 0.00 0.00 174.74 174.13 1r44 s TYR 185 N 0.49 -0.27 0.04 3.88 1.51 -0.60 -3.33 117.35 119.07 1r44 s TYR 185 Ca 0.45 0.66 0.09 0.00 -1.01 0.00 0.00 57.07 57.26 1r44 s TYR 185 Cb -0.21 0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 1r44 s TYR 185 CO 0.26 -0.16 -0.26 0.08 -1.11 0.00 0.00 175.55 174.36 1r44 s VAL 186 N 0.54 2.11 0.22 0.71 1.01 -0.48 -0.74 120.40 123.77 1r44 s VAL 186 Ca -0.03 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.28 1r44 s VAL 186 Cb -0.05 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 1r44 s VAL 186 CO -0.03 0.38 1.53 -0.22 0.00 0.00 0.00 175.10 176.76 1r44 s LEU 187 N -1.18 4.37 0.08 3.92 2.96 -0.49 0.75 118.68 129.09 1r44 s LEU 187 Ca 0.11 2.70 -0.22 0.00 -0.22 0.00 0.00 54.13 56.50 1r44 s LEU 187 Cb -0.10 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 1r44 s LEU 187 CO 0.02 -0.80 1.66 -0.09 -1.32 0.00 0.00 176.35 175.82 1r44 h ARG 188 N 5.82 0.12 -3.73 1.98 2.43 -1.06 -3.34 114.38 116.60 1r44 h ARG 188 Ca -0.45 -0.02 -0.66 0.00 -0.81 0.00 0.00 59.98 58.05 1r44 h ARG 188 Cb 1.21 -0.02 -0.39 0.00 -0.42 0.00 0.00 29.97 30.35 1r44 h ARG 188 CO 0.84 0.18 -0.58 -0.51 -1.51 0.00 0.00 179.97 178.40 1r44 s ASP 189 N -5.38 4.68 0.10 -3.80 1.01 -1.26 -5.03 116.67 106.98 1r44 s ASP 189 Ca -0.14 -2.76 -0.11 0.00 0.71 0.00 0.00 52.55 50.25 1r44 s ASP 189 Cb 0.06 -1.70 -0.06 0.00 1.01 0.00 0.00 42.92 42.23 1r44 s ASP 189 CO 0.68 -0.31 0.44 -1.83 0.21 0.00 0.00 175.17 174.36 1r44 s GLU 190 N 0.06 3.82 0.48 8.23 -1.05 -1.25 -5.00 118.70 123.98 1r44 s GLU 190 Ca 0.15 0.26 0.16 0.00 -0.15 0.00 0.00 54.97 55.39 1r44 s GLU 190 Cb -0.23 -2.97 1.13 0.00 -0.44 0.00 0.00 34.13 31.62 1r44 s GLU 190 CO -0.02 0.53 2.06 -1.00 0.95 0.00 0.00 175.26 177.77 1r44 h PRO 191 N 3.64 0.00 -2.04 -4.83 0.13 -1.95 -3.34 132.00 123.62 1r44 h PRO 191 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1r44 h PRO 191 Cb 1.19 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1r44 h PRO 191 CO 0.66 0.11 -1.00 0.66 -0.23 0.00 0.00 178.00 178.20 1r44 n TYR 192 N -4.36 0.45 -1.15 1.56 4.02 -1.26 -5.06 117.16 111.35 1r44 n TYR 192 Ca -0.03 -3.68 -0.30 0.00 -0.01 0.00 0.00 57.90 53.88 1r44 n TYR 192 Cb 0.19 -0.39 0.14 0.00 -0.02 0.00 0.00 39.34 39.25 1r44 n TYR 192 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1r44 s PRO 193 N -1.45 1.26 0.00 -0.72 0.04 -1.26 -3.24 135.00 129.64 1r44 s PRO 193 Ca 0.36 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1r44 s PRO 193 Cb 0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1r44 s PRO 193 CO -0.09 -2.26 0.00 0.09 0.04 0.00 0.00 177.00 174.78 1r44 n ASN 194 N -3.91 0.00 -4.31 6.66 3.02 -1.26 -4.91 115.26 110.55 1r44 n ASN 194 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.26 1r44 n ASN 194 Cb 0.55 -1.76 -0.13 0.00 -0.61 0.00 0.00 39.78 37.83 1r44 n ASN 194 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1r44 s SER 195 N -2.15 4.97 -0.41 6.41 0.01 -1.20 -5.06 113.70 116.27 1r44 s SER 195 Ca 0.00 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 1r44 s SER 195 Cb 0.00 -1.84 0.11 0.00 0.21 0.00 0.00 66.02 64.50 1r44 s SER 195 CO 0.00 -0.18 0.21 -0.31 0.41 0.00 0.00 173.24 173.37 1r44 s TYR 196 N 1.46 3.53 0.65 2.43 1.51 -1.26 -3.77 117.35 121.89 1r44 s TYR 196 Ca 0.02 -2.26 -0.11 0.00 -1.01 0.00 0.00 57.07 53.71 1r44 s TYR 196 Cb -0.17 -3.17 -0.02 0.00 -0.11 0.00 0.00 41.96 38.49 1r44 s TYR 196 CO 0.01 -0.96 1.04 -0.06 -1.11 0.00 0.00 175.55 174.48 1r44 s PHE 197 N 1.19 3.45 -0.01 2.71 0.40 0.21 -4.85 117.98 121.09 1r44 s PHE 197 Ca 0.07 1.32 0.26 0.00 -0.60 0.00 0.00 56.93 57.98 1r44 s PHE 197 Cb -0.23 -2.78 0.43 0.00 0.51 0.00 0.00 43.02 40.95 1r44 s PHE 197 CO -0.03 -0.88 1.17 -3.47 0.70 0.00 0.00 175.22 172.70 1r44 n ASP 198 N -2.88 1.02 -4.84 1.36 2.03 -1.26 -1.37 116.55 110.61 1r44 n ASP 198 Ca 0.07 -2.04 -0.33 0.00 0.52 0.00 0.00 54.79 53.00 1r44 n ASP 198 Cb 0.54 -0.31 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 1r44 n ASP 198 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1r44 s PHE 199 N -0.11 3.39 0.63 -0.67 -0.12 -1.26 -4.80 117.98 115.04 1r44 s PHE 199 Ca 0.34 1.30 -0.14 0.00 -0.05 0.00 0.00 56.93 58.38 1r44 s PHE 199 Cb 0.39 -2.60 -0.02 0.00 -0.63 0.00 0.00 43.02 40.16 1r44 s PHE 199 CO -0.17 0.08 1.06 -2.14 -0.05 0.00 0.00 175.22 174.00 1r44 s PRO 200 N -2.93 3.18 -0.73 1.99 0.02 -1.26 -4.57 135.00 130.70 1r44 s PRO 200 Ca 0.55 1.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.43 1r44 s PRO 200 Cb -0.11 -2.02 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1r44 s PRO 200 CO 0.17 -0.92 1.18 0.08 -0.33 0.00 0.00 177.00 177.18 1r44 s VAL 201 N -2.66 3.95 0.00 3.83 1.01 0.29 -4.98 120.40 121.84 1r44 s VAL 201 Ca 0.62 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1r44 s VAL 201 Cb -0.15 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.38 1r44 s VAL 201 CO 0.43 -1.72 0.00 1.17 0.00 0.00 0.00 175.10 174.98