#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d61 h HIS 3 N 0.00 0.47 -0.00 3.52 -0.00 -2.00 -1.89 115.15 115.25 3d61 h HIS 3 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3d61 h HIS 3 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 3d61 h HIS 3 CO 0.00 0.26 -0.26 1.97 -0.00 0.00 0.00 177.93 179.91 3d61 n PHE 4 N -4.48 0.00 -3.18 6.12 -1.74 -1.26 -4.09 117.46 108.84 3d61 n PHE 4 Ca 0.06 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.72 3d61 n PHE 4 Cb 0.21 -0.29 -0.05 0.00 1.52 0.00 0.00 39.48 40.87 3d61 n PHE 4 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 3d61 n HIS 5 N -1.30 1.58 -1.98 2.97 8.25 -0.72 -0.54 115.22 123.48 3d61 n HIS 5 Ca 0.08 -3.86 -0.42 0.00 -0.26 0.00 0.00 57.72 53.27 3d61 n HIS 5 Cb 0.32 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 3d61 n HIS 5 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3d61 s PRO 6 N -2.35 4.24 0.00 -0.41 0.02 -1.15 -4.61 135.00 130.74 3d61 s PRO 6 Ca 0.41 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3d61 s PRO 6 Cb 0.25 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3d61 s PRO 6 CO -0.09 -0.53 0.00 1.19 -0.33 0.00 0.00 177.00 177.24 3d61 n PHE 7 N 3.40 0.00 0.00 6.54 3.01 -1.26 -4.13 117.46 125.02 3d61 n PHE 7 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3d61 n PHE 7 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 3d61 n PHE 7 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d61 n GLY 8 N 0.00 0.00 1.45 1.37 0.00 -1.26 -4.28 105.19 102.47 3d61 n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d61 n GLY 8 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d61 n ASN 9 N 0.00 -1.96 -3.65 1.61 3.02 -1.26 -5.09 115.26 107.93 3d61 n ASN 9 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 3d61 n ASN 9 Cb 0.00 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 3d61 n ASN 9 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3d61 s VAL 10 N -2.98 0.00 -0.41 2.41 0.11 -1.26 -5.12 120.40 113.15 3d61 s VAL 10 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 3d61 s VAL 10 Cb 0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 3d61 s VAL 10 CO 0.00 0.00 0.22 0.21 -3.33 0.00 0.00 175.10 172.20 3d61 s ASN 11 N 0.59 5.34 0.53 3.54 3.04 -1.26 -4.56 114.94 122.16 3d61 s ASN 11 Ca -0.01 -1.93 0.24 0.00 0.04 0.00 0.00 52.86 51.20 3d61 s ASN 11 Cb -0.04 -1.86 1.40 0.00 -1.54 0.00 0.00 41.25 39.21 3d61 s ASN 11 CO -0.12 -0.55 2.02 -0.26 -3.04 0.00 0.00 177.10 175.14 3d61 h PHE 12 N 8.14 0.00 0.00 0.43 0.04 -1.90 -2.06 116.94 121.58 3d61 h PHE 12 Ca -0.15 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 3d61 h PHE 12 Cb 1.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 3d61 h PHE 12 CO 0.57 0.00 -0.01 1.88 -0.60 0.00 0.00 178.31 180.16 3d61 h TYR 13 N 0.00 0.00 0.00 -0.55 0.05 -1.93 -3.01 116.97 111.53 3d61 h TYR 13 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3d61 h TYR 13 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 3d61 h TYR 13 CO 0.00 0.01 -0.85 0.39 -1.05 0.00 0.00 178.16 176.66 3d61 n GLU 14 N -3.10 0.03 -2.45 4.88 1.02 -0.78 -4.97 120.64 115.28 3d61 n GLU 14 Ca 0.01 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3d61 n GLU 14 Cb 0.31 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3d61 n GLU 14 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3d61 s MET 15 N -3.02 3.90 -0.41 3.49 -1.94 -1.14 -5.04 119.30 115.14 3d61 s MET 15 Ca 0.08 0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 54.75 3d61 s MET 15 Cb 0.16 -2.18 0.02 0.00 2.01 0.00 0.00 34.83 34.84 3d61 s MET 15 CO 0.81 -0.25 0.41 0.34 -0.01 0.00 0.00 175.02 176.32 3d61 s ASP 16 N -3.16 6.18 -0.61 3.03 2.15 -1.26 -4.97 116.67 118.03 3d61 s ASP 16 Ca 0.57 -0.63 -0.02 0.00 0.43 0.00 0.00 52.55 52.90 3d61 s ASP 16 Cb -0.10 -2.21 0.27 0.00 -0.30 0.00 0.00 42.92 40.58 3d61 s ASP 16 CO 0.33 -0.53 2.24 0.79 -0.17 0.00 0.00 175.17 177.83 3d61 n TRP 17 N 5.52 2.42 -3.08 -5.34 7.02 -1.26 -4.80 117.44 117.92 3d61 n TRP 17 Ca -0.08 -2.32 -0.44 0.00 -1.02 0.00 0.00 57.50 53.63 3d61 n TRP 17 Cb 0.48 -1.27 -0.01 0.00 -2.42 0.00 0.00 31.31 28.09 3d61 n TRP 17 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3d61 s SER 18 N -0.65 7.06 0.50 -0.99 0.01 -1.26 -4.82 113.70 113.54 3d61 s SER 18 Ca 0.54 -3.01 -0.21 0.00 1.31 0.00 0.00 55.95 54.57 3d61 s SER 18 Cb 0.41 -2.33 -0.09 0.00 0.21 0.00 0.00 66.02 64.22 3d61 s SER 18 CO -0.20 -0.65 0.88 0.18 0.41 0.00 0.00 173.24 173.86 3d61 n LEU 19 N 4.84 2.42 -4.02 2.44 4.77 -1.26 -4.92 117.00 121.26 3d61 n LEU 19 Ca 0.30 0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 57.11 3d61 n LEU 19 Cb 0.43 -1.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.11 3d61 n LEU 19 CO 0.54 -1.96 -0.29 -0.54 -1.33 0.00 0.00 177.39 173.81 3d61 s LYS 20 N -2.21 0.64 0.00 3.23 -0.14 -0.21 -5.01 119.74 116.04 3d61 s LYS 20 Ca 0.68 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.19 3d61 s LYS 20 Cb -0.50 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 35.88 3d61 s LYS 20 CO 0.54 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.39 3d61 n GLY 21 N 0.19 0.97 3.46 -3.33 0.00 -1.26 -0.43 105.19 104.80 3d61 n GLY 21 Ca -0.15 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3d61 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d61 s ASP 22 N -4.00 6.22 0.00 1.61 1.01 0.18 -4.86 116.67 116.82 3d61 s ASP 22 Ca 0.00 -1.05 0.16 0.00 0.71 0.00 0.00 52.55 52.37 3d61 s ASP 22 Cb 0.00 -2.43 0.30 0.00 1.01 0.00 0.00 42.92 41.80 3d61 s ASP 22 CO 0.00 -1.44 1.21 0.18 0.21 0.00 0.00 175.17 175.33 3d61 n LEU 23 N 7.77 2.90 -4.68 1.23 4.77 -1.26 -4.57 117.00 123.16 3d61 n LEU 23 Ca -0.00 -1.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.00 3d61 n LEU 23 Cb 0.46 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3d61 n LEU 23 CO 0.64 0.65 1.25 0.86 -1.33 0.00 0.00 177.39 179.46 3d61 s TRP 24 N -1.15 2.47 0.07 -1.77 -0.00 -1.26 -0.37 118.94 116.93 3d61 s TRP 24 Ca 0.27 0.50 -0.26 0.00 -0.00 0.00 0.00 56.10 56.61 3d61 s TRP 24 Cb 0.16 -3.81 0.08 0.00 -0.00 0.00 0.00 33.47 29.89 3d61 s TRP 24 CO 0.22 -3.22 0.67 0.00 -0.00 0.00 0.00 176.95 174.61 3d61 s ALA 25 N 3.03 -1.68 -0.15 5.86 0.00 -0.73 -4.83 121.76 123.26 3d61 s ALA 25 Ca 0.69 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3d61 s ALA 25 Cb -0.34 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.38 3d61 s ALA 25 CO 0.28 -0.63 0.33 -1.58 0.00 0.00 0.00 175.76 174.16 3d61 s HIS 26 N -2.88 -0.54 -1.02 0.00 2.46 -1.26 -3.60 115.29 108.45 3d61 s HIS 26 Ca -0.02 1.15 -0.03 0.00 0.47 0.00 0.00 55.06 56.63 3d61 s HIS 26 Cb -0.01 0.13 -0.04 0.00 -0.13 0.00 0.00 32.58 32.53 3d61 s HIS 26 CO -0.06 -0.37 0.87 -0.25 -2.47 0.00 0.00 174.74 172.47 3d61 n ASP 27 N 4.95 -4.60 -4.88 9.88 8.00 -1.26 -1.22 116.55 127.42 3d61 n ASP 27 Ca -0.14 -0.62 -0.29 0.00 0.71 0.00 0.00 54.79 54.45 3d61 n ASP 27 Cb 0.51 -4.80 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 3d61 n ASP 27 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3d61 s PRO 28 N -4.66 3.68 0.05 -0.24 0.04 -1.26 -4.18 135.00 128.43 3d61 s PRO 28 Ca 0.25 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 3d61 s PRO 28 Cb -0.03 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3d61 s PRO 28 CO 0.68 -0.19 -0.01 0.14 0.04 0.00 0.00 177.00 177.66 3d61 s VAL 29 N -2.63 0.20 0.06 -0.36 -7.23 -0.80 -4.57 120.40 105.07 3d61 s VAL 29 Ca 0.51 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 3d61 s VAL 29 Cb -0.10 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 3d61 s VAL 29 CO 0.39 -0.90 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.53 3d61 s ILE 30 N -3.58 0.95 0.00 -0.62 1.01 -1.26 -2.11 121.20 115.59 3d61 s ILE 30 Ca 0.04 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 3d61 s ILE 30 Cb 0.05 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3d61 s ILE 30 CO -0.09 -0.25 0.17 0.00 0.00 0.00 0.00 174.94 174.76 3d61 s ALA 31 N -1.27 -0.39 -0.04 9.38 0.00 -0.66 -4.92 121.76 123.85 3d61 s ALA 31 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3d61 s ALA 31 Cb -0.10 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3d61 s ALA 31 CO 0.02 -0.23 -0.08 0.21 0.00 0.00 0.00 175.76 175.68 3d61 s LYS 32 N -1.48 1.06 -0.17 0.00 2.20 -1.26 0.20 119.74 120.30 3d61 s LYS 32 Ca -0.14 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.21 3d61 s LYS 32 Cb -0.07 -0.98 0.05 0.00 -1.51 0.00 0.00 37.83 35.33 3d61 s LYS 32 CO 0.02 0.01 0.01 -2.00 -0.36 0.00 0.00 175.35 173.02 3d61 s GLU 33 N 0.60 0.87 6.46 4.03 2.12 -0.18 -4.78 118.70 127.82 3d61 s GLU 33 Ca -0.10 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.84 3d61 s GLU 33 Cb -0.13 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.33 3d61 s GLU 33 CO 0.01 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 3d61 n GLY 34 N 5.00 2.01 0.83 -1.50 0.00 -1.26 -2.15 105.19 108.12 3d61 n GLY 34 Ca -0.09 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.57 3d61 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d61 n SER 35 N 4.78 2.44 -4.62 1.61 3.41 -1.26 -4.90 113.62 115.09 3d61 n SER 35 Ca 0.00 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.38 3d61 n SER 35 Cb 0.00 -0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 3d61 n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3d61 s ARG 36 N -1.56 3.63 0.03 4.33 1.81 -0.91 -4.60 118.95 121.67 3d61 s ARG 36 Ca 0.34 -0.40 0.01 0.00 -1.72 0.00 0.00 55.73 53.96 3d61 s ARG 36 Cb 0.19 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 3d61 s ARG 36 CO 0.26 0.39 0.09 -1.58 -0.68 0.00 0.00 175.30 173.78 3d61 s TRP 37 N -0.00 3.26 0.00 -0.53 0.52 0.68 -1.01 118.94 121.87 3d61 s TRP 37 Ca 0.04 0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.34 3d61 s TRP 37 Cb -0.13 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 3d61 s TRP 37 CO 0.02 0.54 -0.05 0.71 0.02 0.00 0.00 176.95 178.18 3d61 s TYR 38 N -1.29 0.48 -0.08 -1.98 2.02 0.13 -0.91 117.35 115.74 3d61 s TYR 38 Ca 0.26 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.85 3d61 s TYR 38 Cb -0.12 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 3d61 s TYR 38 CO 0.18 -0.02 -0.23 0.08 -1.57 0.00 0.00 175.55 173.99 3d61 s VAL 39 N -0.33 1.94 -0.06 0.71 1.01 0.36 -1.66 120.40 122.37 3d61 s VAL 39 Ca -0.00 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.06 3d61 s VAL 39 Cb -0.03 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3d61 s VAL 39 CO -0.00 0.54 -0.24 -0.36 0.00 0.00 0.00 175.10 175.03 3d61 s PHE 40 N 0.13 2.40 0.33 5.22 0.08 -0.90 -0.63 117.98 124.62 3d61 s PHE 40 Ca -0.11 -0.76 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 3d61 s PHE 40 Cb -0.16 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3d61 s PHE 40 CO 0.06 -0.25 0.56 -3.38 -0.10 0.00 0.00 175.22 172.11 3d61 s HIS 41 N -0.06 0.62 0.37 0.36 -3.43 -0.63 -1.91 115.29 110.61 3d61 s HIS 41 Ca -0.06 -1.00 -0.28 0.00 -0.80 0.00 0.00 55.06 52.92 3d61 s HIS 41 Cb -0.14 0.23 -0.10 0.00 -1.43 0.00 0.00 32.58 31.13 3d61 s HIS 41 CO 0.05 -1.20 1.41 0.99 -2.00 0.00 0.00 174.74 173.98 3d61 s THR 42 N -3.16 2.31 -5.00 -5.38 2.01 -0.36 -2.06 115.64 104.01 3d61 s THR 42 Ca 0.24 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3d61 s THR 42 Cb -0.02 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.29 3d61 s THR 42 CO 0.15 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3d61 n GLY 43 N 0.59 -1.45 3.66 4.40 0.00 -0.87 -4.61 105.19 106.92 3d61 n GLY 43 Ca 0.01 -1.56 -0.54 0.00 0.00 0.00 0.00 46.02 43.92 3d61 n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d61 n SER 44 N 3.00 2.61 -1.43 1.61 7.64 -1.26 -1.39 113.62 124.41 3d61 n SER 44 Ca 0.00 0.95 -0.15 0.00 1.01 0.00 0.00 58.87 60.68 3d61 n SER 44 Cb 0.00 -1.21 -0.06 0.00 -1.01 0.00 0.00 64.21 61.92 3d61 n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d61 n GLY 45 N 4.64 1.44 1.38 0.23 0.00 0.07 -3.98 105.19 108.97 3d61 n GLY 45 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 3d61 n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d61 n ILE 46 N -2.01 -5.02 -2.91 -0.61 5.41 -0.48 -1.18 119.36 112.57 3d61 n ILE 46 Ca -0.15 0.82 -0.35 0.00 1.00 0.00 0.00 62.75 64.07 3d61 n ILE 46 Cb 0.50 -3.84 -0.06 0.00 -0.71 0.00 0.00 39.64 35.52 3d61 n ILE 46 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3d61 s GLN 47 N -1.60 4.34 0.02 0.38 -1.52 -0.88 -1.56 119.66 118.84 3d61 s GLN 47 Ca -0.00 1.09 0.05 0.00 -1.95 0.00 0.00 55.36 54.54 3d61 s GLN 47 Cb 0.00 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 3d61 s GLN 47 CO 0.01 0.20 -0.15 0.42 -0.25 0.00 0.00 175.29 175.52 3d61 s ILE 48 N -1.80 1.19 0.07 1.08 1.01 -0.80 -1.61 121.20 120.35 3d61 s ILE 48 Ca 0.53 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3d61 s ILE 48 Cb -0.14 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3d61 s ILE 48 CO 0.19 0.13 -0.13 -0.54 0.00 0.00 0.00 174.94 174.60 3d61 s LYS 49 N -0.89 0.79 0.12 2.79 1.02 0.20 0.71 119.74 124.47 3d61 s LYS 49 Ca 0.04 -0.96 0.05 0.00 0.02 0.00 0.00 55.97 55.11 3d61 s LYS 49 Cb -0.07 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3d61 s LYS 49 CO 0.01 0.15 -0.12 -0.08 -0.92 0.00 0.00 175.35 174.39 3d61 s THR 50 N -1.45 1.16 -0.02 2.17 -1.32 -0.14 -0.49 115.64 115.54 3d61 s THR 50 Ca -0.02 -1.74 -0.17 0.00 -1.21 0.00 0.00 61.69 58.55 3d61 s THR 50 Cb -0.09 -1.51 0.03 0.00 -1.51 0.00 0.00 72.50 69.41 3d61 s THR 50 CO 0.02 -0.53 0.36 -0.55 -2.21 0.00 0.00 174.62 171.71 3d61 s SER 51 N -2.57 -0.25 -0.01 8.08 0.15 -0.08 -2.04 113.70 116.98 3d61 s SER 51 Ca 0.09 0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.95 3d61 s SER 51 Cb -0.03 0.34 -0.25 0.00 -1.71 0.00 0.00 66.02 64.38 3d61 s SER 51 CO 0.02 -0.47 0.80 -0.33 1.20 0.00 0.00 173.24 174.46 3d61 h GLU 52 N 3.76 0.12 0.00 5.44 4.39 -1.81 0.20 114.58 126.67 3d61 h GLU 52 Ca -0.29 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3d61 h GLU 52 Cb 1.17 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3d61 h GLU 52 CO 0.40 0.87 0.00 -0.40 -1.16 0.00 0.00 179.01 178.72 3d61 n ASP 53 N -3.29 0.62 0.00 1.42 5.68 -1.26 -4.73 116.55 114.99 3d61 n ASP 53 Ca -0.16 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 3d61 n ASP 53 Cb 1.03 0.37 0.00 0.00 -1.14 0.00 0.00 41.12 41.38 3d61 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d61 n GLY 54 N 0.37 1.17 0.17 6.12 0.00 -1.26 -4.84 105.19 106.92 3d61 n GLY 54 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3d61 n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d61 n VAL 55 N -2.00 0.74 -3.36 1.61 0.31 -1.26 -4.92 118.33 109.46 3d61 n VAL 55 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 3d61 n VAL 55 Cb 0.00 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 3d61 n VAL 55 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3d61 s HIS 56 N -2.26 3.19 0.01 3.52 3.76 -1.26 -1.05 115.29 121.21 3d61 s HIS 56 Ca -0.18 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3d61 s HIS 56 Cb 0.05 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.90 3d61 s HIS 56 CO 0.29 -0.61 0.07 -1.58 -0.85 0.00 0.00 174.74 172.05 3d61 s TRP 57 N 2.06 3.23 -0.02 1.40 0.52 0.43 -4.33 118.94 122.24 3d61 s TRP 57 Ca 0.11 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.40 3d61 s TRP 57 Cb -0.17 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3d61 s TRP 57 CO 0.13 0.53 -0.03 -2.00 0.02 0.00 0.00 176.95 175.59 3d61 s GLU 58 N -1.84 0.43 0.32 4.98 2.56 -0.86 -0.65 118.70 123.63 3d61 s GLU 58 Ca 0.24 -0.09 -0.29 0.00 0.00 0.00 0.00 54.97 54.83 3d61 s GLU 58 Cb -0.12 -0.47 -0.10 0.00 2.00 0.00 0.00 34.13 35.44 3d61 s GLU 58 CO 0.15 0.01 1.41 -0.80 -0.56 0.00 0.00 175.26 175.47 3d61 s ASN 59 N 0.36 6.59 -0.39 -1.70 0.01 -1.26 -0.97 114.94 117.57 3d61 s ASN 59 Ca -0.04 2.80 0.12 0.00 -0.71 0.00 0.00 52.86 55.03 3d61 s ASN 59 Cb -0.07 -2.65 0.41 0.00 0.41 0.00 0.00 41.25 39.35 3d61 s ASN 59 CO -0.00 -0.70 0.93 0.80 -1.51 0.00 0.00 177.10 176.61 3d61 n MET 60 N 1.25 1.87 0.00 -0.60 1.56 0.22 -4.82 117.12 116.61 3d61 n MET 60 Ca 0.03 -3.77 0.00 0.00 -0.27 0.00 0.00 57.70 53.69 3d61 n MET 60 Cb 0.40 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 34.06 3d61 n MET 60 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3d61 n GLY 61 N -0.09 0.23 3.48 -5.12 0.00 -1.25 -4.60 105.19 97.84 3d61 n GLY 61 Ca 0.22 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3d61 n GLY 61 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3d61 s TRP 62 N 0.00 0.08 -0.07 1.61 -2.14 -1.26 -1.90 118.94 115.26 3d61 s TRP 62 Ca 0.00 -0.44 -0.27 0.00 2.66 0.00 0.00 56.10 58.05 3d61 s TRP 62 Cb 0.00 0.25 -0.23 0.00 -3.10 0.00 0.00 33.47 30.39 3d61 s TRP 62 CO 0.00 -0.87 1.05 0.28 -2.66 0.00 0.00 176.95 174.75 3d61 h VAL 63 N 2.30 1.56 -3.49 -0.66 2.07 -0.56 -3.43 116.25 114.04 3d61 h VAL 63 Ca -0.29 -1.69 -0.71 0.00 0.82 0.00 0.00 66.70 64.84 3d61 h VAL 63 Cb 1.25 2.70 -0.31 0.00 -1.52 0.00 0.00 31.29 33.41 3d61 h VAL 63 CO 0.40 0.44 -0.52 -0.36 0.02 0.00 0.00 177.57 177.55 3d61 s PHE 64 N -3.36 3.42 0.43 1.57 0.08 -0.32 -4.85 117.98 114.94 3d61 s PHE 64 Ca -0.17 -1.89 0.18 0.00 0.12 0.00 0.00 56.93 55.17 3d61 s PHE 64 Cb -0.00 -2.97 1.08 0.00 -0.57 0.00 0.00 43.02 40.56 3d61 s PHE 64 CO 0.69 -0.89 1.99 -1.00 -0.10 0.00 0.00 175.22 175.90 3d61 h PRO 65 N 8.24 0.00 -3.32 0.24 0.13 -1.88 -3.40 132.00 132.01 3d61 h PRO 65 Ca -0.19 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.69 3d61 h PRO 65 Cb 1.07 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.88 3d61 h PRO 65 CO 0.72 0.20 -0.62 -1.54 -0.23 0.00 0.00 178.00 176.52 3d61 s SER 66 N -6.77 -0.08 0.20 1.44 1.04 -1.26 -5.05 113.70 103.22 3d61 s SER 66 Ca -0.03 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 3d61 s SER 66 Cb 0.15 0.15 -0.09 0.00 0.10 0.00 0.00 66.02 66.33 3d61 s SER 66 CO 0.67 -0.13 1.36 -0.76 0.98 0.00 0.00 173.24 175.36 3d61 s LEU 67 N 1.04 4.40 0.41 2.42 1.43 -1.26 -4.97 118.68 122.15 3d61 s LEU 67 Ca -0.08 2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 55.23 3d61 s LEU 67 Cb -0.11 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3d61 s LEU 67 CO -0.05 -0.60 1.27 -2.65 0.23 0.00 0.00 176.35 174.55 3d61 n PRO 68 N 2.78 1.94 0.25 1.29 -0.02 -1.26 -4.89 135.00 135.08 3d61 n PRO 68 Ca 0.07 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.33 3d61 n PRO 68 Cb 0.42 -2.38 0.63 0.00 -0.02 0.00 0.00 33.50 32.15 3d61 n PRO 68 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d61 h ASP 69 N 2.12 0.00 0.24 2.55 3.32 -2.05 -3.03 116.42 119.57 3d61 h ASP 69 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3d61 h ASP 69 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3d61 h ASP 69 CO 0.60 0.14 0.00 4.11 -1.72 0.00 0.00 179.24 182.37 3d61 h TRP 70 N 0.00 0.00 -0.97 4.55 5.08 -2.03 -2.52 115.95 120.06 3d61 h TRP 70 Ca -0.00 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.04 3d61 h TRP 70 Cb 0.28 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.37 3d61 h TRP 70 CO 0.00 0.00 0.62 1.88 -1.28 0.00 0.00 178.44 179.66 3d61 h TYR 71 N 0.00 1.14 0.00 0.12 0.05 -1.91 -1.66 116.97 114.70 3d61 h TYR 71 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 3d61 h TYR 71 Cb 0.12 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 37.49 3d61 h TYR 71 CO 0.00 0.56 -0.01 0.87 -1.05 0.00 0.00 178.16 178.53 3d61 h LYS 72 N 1.09 0.00 0.00 4.88 1.57 -1.68 0.09 116.57 122.52 3d61 h LYS 72 Ca 0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.16 3d61 h LYS 72 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3d61 h LYS 72 CO -0.19 0.01 -0.25 0.37 -0.57 0.00 0.00 179.45 178.82 3d61 h GLN 73 N 0.00 0.00 0.00 3.15 5.75 -1.48 -2.96 115.11 119.57 3d61 h GLN 73 Ca -0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.21 3d61 h GLN 73 Cb 0.02 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 3d61 h GLN 73 CO 0.00 0.25 -2.08 0.66 -2.65 0.00 0.00 178.83 175.01 3d61 n TYR 74 N -3.43 0.00 -3.37 3.99 4.02 -0.41 -4.79 117.16 113.16 3d61 n TYR 74 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 3d61 n TYR 74 Cb 0.43 -0.74 -0.08 0.00 -0.02 0.00 0.00 39.34 38.93 3d61 n TYR 74 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3d61 n VAL 75 N -2.98 0.66 0.03 -0.72 0.31 -0.12 -4.61 118.33 110.90 3d61 n VAL 75 Ca -0.32 -4.50 0.08 0.00 -0.01 0.00 0.00 64.34 59.58 3d61 n VAL 75 Cb 0.88 -2.00 0.50 0.00 -0.91 0.00 0.00 33.84 32.31 3d61 n VAL 75 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3d61 h PRO 76 N 4.37 0.36 0.00 5.55 0.13 -1.73 -2.62 132.00 138.06 3d61 h PRO 76 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3d61 h PRO 76 Cb 0.79 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3d61 h PRO 76 CO 0.62 0.24 0.00 0.93 -0.23 0.00 0.00 178.00 179.56 3d61 h GLU 77 N 0.37 0.00 -6.64 0.86 4.39 -1.93 -3.45 114.58 108.18 3d61 h GLU 77 Ca 0.16 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.34 3d61 h GLU 77 Cb 0.17 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.87 3d61 h GLU 77 CO -0.04 0.00 1.03 0.21 -1.16 0.00 0.00 179.01 179.06 3d61 s LYS 78 N -3.47 4.12 -0.11 2.33 2.20 -0.99 -4.91 119.74 118.91 3d61 s LYS 78 Ca 0.04 2.61 0.04 0.00 -0.36 0.00 0.00 55.97 58.30 3d61 s LYS 78 Cb 0.09 -3.15 -0.10 0.00 -1.51 0.00 0.00 37.83 33.16 3d61 s LYS 78 CO 0.54 -0.77 -0.05 -0.40 -0.36 0.00 0.00 175.35 174.31 3d61 n ASP 79 N 4.25 2.87 -4.72 1.43 3.85 -1.26 -5.06 116.55 117.91 3d61 n ASP 79 Ca 0.16 -0.04 -0.24 0.00 -0.71 0.00 0.00 54.79 53.97 3d61 n ASP 79 Cb 0.36 0.16 0.10 0.00 -1.35 0.00 0.00 41.12 40.39 3d61 n ASP 79 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3d61 s GLU 80 N -2.24 1.80 -0.23 0.11 4.04 -1.26 -5.04 118.70 115.87 3d61 s GLU 80 Ca -0.12 -0.99 0.14 0.00 0.04 0.00 0.00 54.97 54.04 3d61 s GLU 80 Cb 0.04 -2.33 0.74 0.00 0.02 0.00 0.00 34.13 32.60 3d61 s GLU 80 CO 0.33 -1.36 1.67 -0.40 -1.84 0.00 0.00 175.26 173.66 3d61 n ASP 81 N -2.80 5.14 -4.70 0.83 5.68 -1.26 -4.98 116.55 114.47 3d61 n ASP 81 Ca 0.14 -3.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.01 3d61 n ASP 81 Cb 0.60 -0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 39.89 3d61 n ASP 81 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3d61 s HIS 82 N -2.82 3.60 -0.08 2.11 3.76 -1.26 -0.75 115.29 119.85 3d61 s HIS 82 Ca 0.52 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 3d61 s HIS 82 Cb 0.40 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 3d61 s HIS 82 CO 0.14 -0.04 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.42 3d61 s LEU 83 N 1.21 3.24 0.20 0.89 1.43 -0.49 -4.80 118.68 120.35 3d61 s LEU 83 Ca 0.47 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 3d61 s LEU 83 Cb -0.20 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3d61 s LEU 83 CO 0.23 0.35 0.11 0.26 0.23 0.00 0.00 176.35 177.53 3d61 s TRP 84 N -0.74 3.02 -0.49 0.29 0.51 -0.37 -2.05 118.94 119.11 3d61 s TRP 84 Ca 0.11 -0.09 -0.07 0.00 -2.12 0.00 0.00 56.10 53.94 3d61 s TRP 84 Cb -0.11 -1.42 0.01 0.00 -0.81 0.00 0.00 33.47 31.14 3d61 s TRP 84 CO 0.02 0.53 0.41 0.00 -0.51 0.00 0.00 176.95 177.40 3d61 n ALA 85 N -0.55 -2.13 -1.41 0.98 0.00 -1.26 -0.48 120.51 115.65 3d61 n ALA 85 Ca -0.08 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 3d61 n ALA 85 Cb 0.56 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 19.36 3d61 n ALA 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d61 s PRO 86 N -3.41 2.61 -0.02 0.00 0.04 -1.26 -4.22 135.00 128.75 3d61 s PRO 86 Ca 0.07 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3d61 s PRO 86 Cb -0.01 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.61 3d61 s PRO 86 CO 0.60 -1.37 0.00 0.34 0.04 0.00 0.00 177.00 176.62 3d61 s ASP 87 N -3.44 0.26 0.01 6.66 2.15 0.87 -4.61 116.67 118.56 3d61 s ASP 87 Ca 0.61 -0.01 0.08 0.00 0.43 0.00 0.00 52.55 53.66 3d61 s ASP 87 Cb -0.16 -0.12 -0.02 0.00 -0.30 0.00 0.00 42.92 42.32 3d61 s ASP 87 CO 0.53 -0.07 -0.25 -0.51 -0.17 0.00 0.00 175.17 174.70 3d61 s ILE 88 N 0.68 2.03 0.06 4.11 1.10 -1.26 -0.89 121.20 127.02 3d61 s ILE 88 Ca -0.06 -1.21 -0.18 0.00 -0.51 0.00 0.00 60.65 58.69 3d61 s ILE 88 Cb -0.09 -1.71 0.04 0.00 0.15 0.00 0.00 42.46 40.84 3d61 s ILE 88 CO -0.01 0.47 0.42 0.00 -2.11 0.00 0.00 174.94 173.70 3d61 s PHE 90 N -2.66 2.84 -0.13 0.00 5.36 0.30 -0.62 117.98 123.07 3d61 s PHE 90 Ca -0.04 -1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 54.66 3d61 s PHE 90 Cb -0.00 -1.97 0.05 0.00 -0.34 0.00 0.00 43.02 40.76 3d61 s PHE 90 CO -0.04 -0.61 0.31 -0.47 -1.46 0.00 0.00 175.22 172.95 3d61 s TYR 91 N 1.18 -0.45 -1.42 10.12 5.04 -0.33 -4.04 117.35 127.45 3d61 s TYR 91 Ca 0.02 1.00 -0.10 0.00 -2.44 0.00 0.00 57.07 55.55 3d61 s TYR 91 Cb -0.14 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.33 3d61 s TYR 91 CO -0.05 -0.29 1.04 0.09 -1.34 0.00 0.00 175.55 174.99 3d61 n ASN 92 N 4.41 -4.86 0.00 4.32 4.13 -1.26 -1.56 115.26 120.44 3d61 n ASN 92 Ca -0.22 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.36 3d61 n ASN 92 Cb 0.53 -4.42 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 3d61 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d61 n GLY 93 N -1.77 0.34 3.31 7.41 0.00 -1.26 -5.00 105.19 108.23 3d61 n GLY 93 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3d61 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d61 s ILE 94 N -1.80 2.01 -0.24 -0.61 1.01 -0.60 -4.71 121.20 116.26 3d61 s ILE 94 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 3d61 s ILE 94 Cb 0.00 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3d61 s ILE 94 CO 0.00 0.46 0.36 -0.31 0.00 0.00 0.00 174.94 175.45 3d61 s TYR 95 N -0.68 3.31 -0.29 3.97 1.51 0.60 -1.19 117.35 124.58 3d61 s TYR 95 Ca 0.10 0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 56.55 3d61 s TYR 95 Cb -0.10 -2.52 -0.02 0.00 -0.11 0.00 0.00 41.96 39.22 3d61 s TYR 95 CO 0.00 -0.10 0.13 0.71 -1.11 0.00 0.00 175.55 175.19 3d61 s TYR 96 N 1.62 3.16 -0.31 2.71 1.51 0.21 -1.93 117.35 124.33 3d61 s TYR 96 Ca 0.16 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3d61 s TYR 96 Cb -0.15 -2.33 0.06 0.00 -0.11 0.00 0.00 41.96 39.43 3d61 s TYR 96 CO 0.08 -0.40 0.00 -1.17 -1.11 0.00 0.00 175.55 172.96 3d61 s LEU 97 N 1.63 3.98 0.16 -1.29 2.96 0.12 -2.05 118.68 124.20 3d61 s LEU 97 Ca 0.05 -1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 52.53 3d61 s LEU 97 Cb -0.16 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 3d61 s LEU 97 CO 0.06 -0.28 0.41 -0.31 -1.32 0.00 0.00 176.35 174.91 3d61 s TYR 98 N 1.21 3.47 0.29 5.38 1.51 -0.07 -1.08 117.35 128.06 3d61 s TYR 98 Ca -0.04 0.60 -0.14 0.00 -1.01 0.00 0.00 57.07 56.48 3d61 s TYR 98 Cb -0.20 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 3d61 s TYR 98 CO -0.02 0.40 0.58 1.52 -1.11 0.00 0.00 175.55 176.92 3d61 s TYR 99 N -1.71 0.28 -0.06 2.71 1.13 -0.56 -0.09 117.35 119.05 3d61 s TYR 99 Ca 0.42 -0.69 0.04 0.00 -1.41 0.00 0.00 57.07 55.42 3d61 s TYR 99 Cb -0.12 0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 41.10 3d61 s TYR 99 CO 0.24 -1.16 -0.16 -1.12 -2.51 0.00 0.00 175.55 170.85 3d61 s SER 100 N -3.03 3.90 -0.21 -0.18 0.01 0.36 -0.38 113.70 114.17 3d61 s SER 100 Ca 0.20 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 57.20 3d61 s SER 100 Cb -0.03 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.31 3d61 s SER 100 CO 0.10 0.31 -0.13 -0.69 0.41 0.00 0.00 173.24 173.24 3d61 s VAL 101 N -0.54 2.48 0.20 3.43 1.01 0.26 -1.24 120.40 126.00 3d61 s VAL 101 Ca 0.07 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 3d61 s VAL 101 Cb -0.11 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.16 3d61 s VAL 101 CO 0.01 0.38 0.74 -0.24 0.00 0.00 0.00 175.10 175.99 3d61 n SER 102 N 4.64 -1.50 -3.93 3.32 2.88 -1.26 -1.39 113.62 116.38 3d61 n SER 102 Ca -0.19 -1.88 -0.20 0.00 -1.33 0.00 0.00 58.87 55.26 3d61 n SER 102 Cb 0.49 2.45 -0.16 0.00 -0.75 0.00 0.00 64.21 66.24 3d61 n SER 102 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3d61 s THR 103 N -2.22 0.66 -0.06 2.46 -4.23 -1.26 -4.95 115.64 106.04 3d61 s THR 103 Ca 0.16 -0.21 -0.38 0.00 -1.18 0.00 0.00 61.69 60.07 3d61 s THR 103 Cb -0.03 -0.64 -0.16 0.00 1.34 0.00 0.00 72.50 73.00 3d61 s THR 103 CO 0.06 0.24 1.49 0.33 -0.54 0.00 0.00 174.62 176.20 3d61 n PHE 104 N 3.86 1.69 -0.09 3.99 7.35 -1.26 -2.28 117.46 130.72 3d61 n PHE 104 Ca -0.24 0.62 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3d61 n PHE 104 Cb 0.52 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.97 3d61 n PHE 104 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3d61 n GLY 105 N 3.13 1.36 3.40 7.13 0.00 -1.26 -5.05 105.19 113.90 3d61 n GLY 105 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3d61 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d61 s LYS 106 N -0.50 1.47 -0.31 1.61 1.02 -0.97 -5.05 119.74 117.00 3d61 s LYS 106 Ca 0.00 -1.60 0.10 0.00 0.02 0.00 0.00 55.97 54.49 3d61 s LYS 106 Cb 0.00 -1.52 0.62 0.00 -0.52 0.00 0.00 37.83 36.41 3d61 s LYS 106 CO 0.00 0.29 1.65 0.27 -0.92 0.00 0.00 175.35 176.65 3d61 n ASN 107 N -0.19 3.67 -4.45 2.83 6.94 -1.26 -4.62 115.26 118.18 3d61 n ASN 107 Ca -0.09 -3.45 -0.43 0.00 -0.02 0.00 0.00 54.58 50.58 3d61 n ASN 107 Cb 0.59 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 3d61 n ASN 107 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3d61 s THR 108 N -3.12 4.56 0.12 5.53 2.01 -1.26 -3.79 115.64 119.70 3d61 s THR 108 Ca 0.50 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 3d61 s THR 108 Cb 0.42 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 3d61 s THR 108 CO 0.08 -1.49 0.14 -0.44 -0.69 0.00 0.00 174.62 172.22 3d61 s SER 109 N 3.71 0.21 -0.14 3.53 0.01 -0.78 -4.36 113.70 115.88 3d61 s SER 109 Ca 0.29 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.47 3d61 s SER 109 Cb -0.09 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.51 3d61 s SER 109 CO -0.02 -0.77 0.36 0.54 0.41 0.00 0.00 173.24 173.76 3d61 s VAL 110 N -3.97 -0.01 -0.18 3.43 0.11 -0.49 -0.21 120.40 119.09 3d61 s VAL 110 Ca 0.16 0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.09 3d61 s VAL 110 Cb 0.06 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3d61 s VAL 110 CO -0.03 0.01 0.33 -0.63 -3.33 0.00 0.00 175.10 171.45 3d61 s ILE 111 N 0.48 5.26 0.40 7.04 1.01 0.04 -0.57 121.20 134.86 3d61 s ILE 111 Ca -0.02 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.30 3d61 s ILE 111 Cb -0.04 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3d61 s ILE 111 CO -0.03 0.33 0.30 -0.83 0.00 0.00 0.00 174.94 174.72 3d61 s GLY 112 N 0.75 2.12 -0.05 6.18 0.00 0.49 -0.11 107.32 116.70 3d61 s GLY 112 Ca 0.17 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 43.00 3d61 s GLY 112 CO 0.06 -1.74 -0.05 -2.27 0.00 0.00 0.00 173.10 169.10 3d61 s LEU 113 N -4.04 1.33 0.02 0.66 2.96 -0.50 -1.50 118.68 117.62 3d61 s LEU 113 Ca 0.45 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 3d61 s LEU 113 Cb -0.02 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 3d61 s LEU 113 CO 0.26 -0.05 -0.21 0.00 -1.32 0.00 0.00 176.35 175.03 3d61 s ALA 114 N 0.95 1.79 0.13 5.97 0.00 -0.24 -0.61 121.76 129.75 3d61 s ALA 114 Ca -0.10 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 50.90 3d61 s ALA 114 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3d61 s ALA 114 CO 0.00 0.42 -0.15 0.95 0.00 0.00 0.00 175.76 176.98 3d61 s THR 115 N -0.69 1.45 -0.04 0.00 -4.23 -0.68 -0.70 115.64 110.75 3d61 s THR 115 Ca 0.08 -1.75 -0.14 0.00 -1.18 0.00 0.00 61.69 58.70 3d61 s THR 115 Cb -0.09 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.18 3d61 s THR 115 CO 0.01 -0.38 0.31 0.21 -0.54 0.00 0.00 174.62 174.23 3d61 s ASN 116 N -2.47 -0.22 0.31 3.99 3.84 -0.81 -0.73 114.94 118.83 3d61 s ASN 116 Ca 0.10 0.23 0.25 0.00 0.21 0.00 0.00 52.86 53.66 3d61 s ASN 116 Cb -0.05 0.41 0.69 0.00 -0.55 0.00 0.00 41.25 41.74 3d61 s ASN 116 CO 0.04 -0.36 1.73 1.56 -2.79 0.00 0.00 177.10 177.28 3d61 h GLN 117 N 4.35 0.00 -3.11 0.43 4.20 -1.80 0.17 115.11 119.35 3d61 h GLN 117 Ca -0.29 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 3d61 h GLN 117 Cb 1.18 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.84 3d61 h GLN 117 CO 0.37 0.00 0.14 -0.08 -0.67 0.00 0.00 178.83 178.59 3d61 s THR 118 N -3.18 0.02 -1.49 -0.54 -1.32 -1.26 -4.74 115.64 103.13 3d61 s THR 118 Ca 0.09 -0.20 0.22 0.00 -1.21 0.00 0.00 61.69 60.58 3d61 s THR 118 Cb 0.09 -1.10 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 3d61 s THR 118 CO 0.61 -0.08 1.00 0.18 -2.21 0.00 0.00 174.62 174.12 3d61 n LEU 119 N -0.34 1.47 -4.55 9.08 4.77 -1.26 -4.72 117.00 121.45 3d61 n LEU 119 Ca -0.16 -0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 3d61 n LEU 119 Cb 0.64 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 3d61 n LEU 119 CO 0.14 0.31 0.63 -0.62 -1.33 0.00 0.00 177.39 176.51 3d61 s ASP 120 N -2.76 6.44 0.67 -1.43 -1.08 -1.26 -4.92 116.67 112.33 3d61 s ASP 120 Ca 0.13 -0.04 0.43 0.00 -0.52 0.00 0.00 52.55 52.55 3d61 s ASP 120 Cb 0.17 -2.41 2.35 0.00 -1.46 0.00 0.00 42.92 41.58 3d61 s ASP 120 CO 0.73 -0.97 2.33 -0.65 0.52 0.00 0.00 175.17 177.13 3d61 h PRO 121 N 9.02 0.00 0.00 4.34 0.11 -1.96 -1.25 132.00 142.26 3d61 h PRO 121 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3d61 h PRO 121 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3d61 h PRO 121 CO 0.99 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 3d61 h ARG 122 N 0.00 0.00 -6.61 1.05 3.08 -1.98 -3.45 114.38 106.46 3d61 h ARG 122 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3d61 h ARG 122 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3d61 h ARG 122 CO -0.00 0.00 0.33 0.34 -1.07 0.00 0.00 179.97 179.57 3d61 s ASP 123 N -5.30 7.53 0.59 7.04 -1.08 -0.47 -4.95 116.67 120.02 3d61 s ASP 123 Ca 0.07 1.82 0.28 0.00 -0.52 0.00 0.00 52.55 54.20 3d61 s ASP 123 Cb 0.09 -2.58 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 3d61 s ASP 123 CO 0.59 0.03 2.09 -0.65 0.52 0.00 0.00 175.17 177.75 3d61 h PRO 124 N 5.02 0.00 -0.02 4.34 0.11 -1.88 -0.83 132.00 138.74 3d61 h PRO 124 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3d61 h PRO 124 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d61 h PRO 124 CO 0.70 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.24 3d61 n ASP 125 N -3.83 0.96 -4.63 -2.05 8.00 -1.26 -4.87 116.55 108.87 3d61 n ASP 125 Ca 0.02 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.74 3d61 n ASP 125 Cb 0.34 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3d61 n ASP 125 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3d61 s TYR 126 N -1.98 2.08 -0.30 1.24 5.04 -0.32 -4.34 117.35 118.77 3d61 s TYR 126 Ca 0.40 0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 55.46 3d61 s TYR 126 Cb 0.21 -4.00 0.16 0.00 0.35 0.00 0.00 41.96 38.68 3d61 s TYR 126 CO 0.33 -2.97 0.84 -2.00 -1.34 0.00 0.00 175.55 170.42 3d61 s GLU 127 N 4.74 0.41 -0.41 4.97 2.12 -1.26 -5.04 118.70 124.23 3d61 s GLU 127 Ca 0.72 0.94 -0.28 0.00 0.36 0.00 0.00 54.97 56.71 3d61 s GLU 127 Cb -0.25 0.56 0.02 0.00 0.26 0.00 0.00 34.13 34.72 3d61 s GLU 127 CO 0.30 -0.22 1.08 -1.58 -0.54 0.00 0.00 175.26 174.30 3d61 s TRP 128 N 2.70 2.97 -0.09 5.30 0.52 -1.26 -4.35 118.94 124.73 3d61 s TRP 128 Ca 0.00 0.87 -0.13 0.00 0.02 0.00 0.00 56.10 56.86 3d61 s TRP 128 Cb -0.10 -4.06 -0.05 0.00 -1.15 0.00 0.00 33.47 28.12 3d61 s TRP 128 CO -0.18 -1.03 0.33 0.15 0.02 0.00 0.00 176.95 176.24 3d61 s LYS 129 N 4.02 4.00 -0.60 4.98 1.02 0.09 -4.90 119.74 128.35 3d61 s LYS 129 Ca 0.45 0.21 -0.27 0.00 0.02 0.00 0.00 55.97 56.38 3d61 s LYS 129 Cb -0.10 -3.31 0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3d61 s LYS 129 CO 0.24 0.50 1.17 0.34 -0.92 0.00 0.00 175.35 176.67 3d61 s ASP 130 N -0.36 6.40 -0.25 2.83 2.15 -1.26 -1.69 116.67 124.48 3d61 s ASP 130 Ca 0.20 -0.03 0.13 0.00 0.43 0.00 0.00 52.55 53.27 3d61 s ASP 130 Cb -0.14 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.74 3d61 s ASP 130 CO 0.08 -1.49 1.75 0.23 -0.17 0.00 0.00 175.17 175.57 3d61 n MET 131 N 8.41 4.62 -0.27 4.34 2.81 0.21 -5.01 117.12 132.23 3d61 n MET 131 Ca 0.07 -3.09 0.04 0.00 -1.81 0.00 0.00 57.70 52.90 3d61 n MET 131 Cb 0.49 -2.25 -0.01 0.00 -0.71 0.00 0.00 33.22 30.74 3d61 n MET 131 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d61 n GLY 132 N 0.46 -1.93 3.77 3.03 0.00 -1.22 -4.75 105.19 104.54 3d61 n GLY 132 Ca 0.30 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3d61 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d61 s PRO 133 N -0.76 3.51 -0.14 1.61 0.04 -1.26 -1.40 135.00 136.60 3d61 s PRO 133 Ca 0.00 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 3d61 s PRO 133 Cb 0.00 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 3d61 s PRO 133 CO 0.00 -0.78 -0.16 0.28 0.04 0.00 0.00 177.00 176.38 3d61 n VAL 134 N -0.79 0.81 -3.56 -0.36 0.31 0.84 -4.88 118.33 110.70 3d61 n VAL 134 Ca 0.09 -0.24 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 3d61 n VAL 134 Cb 0.48 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 3d61 n VAL 134 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3d61 s ILE 135 N -2.27 0.00 0.19 2.52 2.07 -1.23 -4.60 121.20 117.88 3d61 s ILE 135 Ca -0.20 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.03 3d61 s ILE 135 Cb 0.07 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 3d61 s ILE 135 CO 0.28 0.00 0.11 -1.38 -1.91 0.00 0.00 174.94 172.04 3d61 s HIS 136 N -0.93 1.12 0.03 3.50 -3.43 -1.26 -0.78 115.29 113.54 3d61 s HIS 136 Ca -0.06 -1.32 0.04 0.00 -0.80 0.00 0.00 55.06 52.92 3d61 s HIS 136 Cb -0.01 -0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 30.55 3d61 s HIS 136 CO 0.05 -0.58 -0.11 -1.54 -2.00 0.00 0.00 174.74 170.56 3d61 s SER 137 N -3.15 1.29 0.42 7.38 1.04 0.71 -4.83 113.70 116.57 3d61 s SER 137 Ca 0.35 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3d61 s SER 137 Cb 0.07 -0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 3d61 s SER 137 CO 0.10 -0.01 0.15 0.42 0.98 0.00 0.00 173.24 174.87 3d61 s THR 138 N -0.82 2.14 0.62 2.02 -4.23 -1.25 -1.87 115.64 112.25 3d61 s THR 138 Ca -0.01 -1.77 0.33 0.00 -1.18 0.00 0.00 61.69 59.06 3d61 s THR 138 Cb -0.07 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.23 3d61 s THR 138 CO 0.01 0.00 2.18 0.00 -0.54 0.00 0.00 174.62 176.27 3d61 h ALA 139 N 1.46 1.51 0.00 3.99 0.00 -1.96 -0.39 119.26 123.86 3d61 h ALA 139 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3d61 h ALA 139 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3d61 h ALA 139 CO 0.72 -0.16 -0.19 -1.13 0.00 0.00 0.00 179.25 178.48 3d61 n SER 140 N -3.55 0.20 -4.85 0.00 3.41 -1.26 -4.87 113.62 102.70 3d61 n SER 140 Ca -0.01 0.21 -0.32 0.00 -0.26 0.00 0.00 58.87 58.50 3d61 n SER 140 Cb 0.21 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3d61 n SER 140 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3d61 s ASP 141 N -3.03 6.61 -0.33 4.04 1.01 -0.16 -4.97 116.67 119.85 3d61 s ASP 141 Ca 0.13 1.46 0.06 0.00 0.71 0.00 0.00 52.55 54.91 3d61 s ASP 141 Cb 0.18 -2.46 0.62 0.00 1.01 0.00 0.00 42.92 42.27 3d61 s ASP 141 CO 0.60 -0.52 1.72 -0.46 0.21 0.00 0.00 175.17 176.71 3d61 n ASN 142 N -1.44 4.12 -3.93 0.27 6.94 -1.26 -4.89 115.26 115.08 3d61 n ASN 142 Ca 0.05 -3.19 -0.09 0.00 -0.02 0.00 0.00 54.58 51.33 3d61 n ASN 142 Cb 0.54 -0.75 -0.05 0.00 -2.36 0.00 0.00 39.78 37.16 3d61 n ASN 142 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3d61 s TYR 143 N -2.73 0.24 -0.15 -2.53 -0.85 -1.26 -0.66 117.35 109.41 3d61 s TYR 143 Ca 0.48 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 56.44 3d61 s TYR 143 Cb 0.39 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.97 3d61 s TYR 143 CO 0.11 -0.94 -0.16 1.21 -1.52 0.00 0.00 175.55 174.25 3d61 s ASN 144 N -2.97 2.80 -1.39 -0.18 2.47 -1.26 -4.77 114.94 109.64 3d61 s ASN 144 Ca 0.18 -0.53 -0.15 0.00 0.42 0.00 0.00 52.86 52.77 3d61 s ASN 144 Cb -0.00 -1.26 0.06 0.00 -1.45 0.00 0.00 41.25 38.59 3d61 s ASN 144 CO 0.05 -0.03 2.01 0.00 -3.72 0.00 0.00 177.10 175.41 3d61 n ALA 145 N 4.69 4.72 -2.65 1.71 0.00 -1.26 -3.78 120.51 123.93 3d61 n ALA 145 Ca -0.18 -3.88 -0.10 0.00 0.00 0.00 0.00 53.44 49.27 3d61 n ALA 145 Cb 0.50 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 16.33 3d61 n ALA 145 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3d61 s ILE 146 N 3.53 0.02 -1.07 0.00 -4.36 -1.26 -3.52 121.20 114.53 3d61 s ILE 146 Ca 0.50 -1.67 -0.06 0.00 -0.26 0.00 0.00 60.65 59.16 3d61 s ILE 146 Cb 0.10 -2.25 -0.06 0.00 1.25 0.00 0.00 42.46 41.50 3d61 s ILE 146 CO -0.02 -0.08 0.92 0.00 0.24 0.00 0.00 174.94 176.00 3d61 n ALA 147 N -0.29 -2.44 -1.59 2.27 0.00 -1.26 -0.77 120.51 116.42 3d61 n ALA 147 Ca -0.01 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 3d61 n ALA 147 Cb 0.64 -5.35 0.03 0.00 0.00 0.00 0.00 19.45 14.77 3d61 n ALA 147 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d61 s PRO 148 N -4.59 3.08 -0.18 0.00 0.04 -1.26 -4.07 135.00 128.02 3d61 s PRO 148 Ca 0.41 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 3d61 s PRO 148 Cb -0.06 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.55 3d61 s PRO 148 CO 0.75 -1.00 0.43 1.21 0.04 0.00 0.00 177.00 178.43 3d61 s ASN 149 N -3.05 -0.50 -0.10 6.66 3.84 0.22 -4.54 114.94 117.47 3d61 s ASN 149 Ca 0.62 0.95 -0.03 0.00 0.21 0.00 0.00 52.86 54.62 3d61 s ASN 149 Cb -0.16 0.92 -0.03 0.00 -0.55 0.00 0.00 41.25 41.42 3d61 s ASN 149 CO 0.43 -0.20 0.03 -0.69 -2.79 0.00 0.00 177.10 173.88 3d61 s VAL 150 N 1.64 4.57 -0.02 -5.21 1.01 -1.26 -0.69 120.40 120.43 3d61 s VAL 150 Ca -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3d61 s VAL 150 Cb -0.09 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3d61 s VAL 150 CO -0.13 0.60 0.07 0.54 0.00 0.00 0.00 175.10 176.18 3d61 s VAL 151 N -0.85 0.03 -0.23 2.92 0.11 -0.47 -4.93 120.40 116.99 3d61 s VAL 151 Ca 0.13 -0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 58.87 3d61 s VAL 151 Cb -0.12 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 3d61 s VAL 151 CO 0.03 -0.13 0.08 -0.36 -3.33 0.00 0.00 175.10 171.39 3d61 s PHE 152 N -0.38 3.14 1.13 1.54 0.40 -1.26 0.24 117.98 122.80 3d61 s PHE 152 Ca -0.04 -0.20 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 3d61 s PHE 152 Cb -0.03 -2.20 0.26 0.00 0.51 0.00 0.00 43.02 41.56 3d61 s PHE 152 CO 0.00 -0.17 1.15 0.16 0.70 0.00 0.00 175.22 177.07 3d61 s ASP 153 N 1.21 1.55 0.44 1.36 1.47 -0.20 -4.81 116.67 117.69 3d61 s ASP 153 Ca 0.05 0.60 0.18 0.00 1.18 0.00 0.00 52.55 54.55 3d61 s ASP 153 Cb -0.14 -0.83 1.11 0.00 -0.34 0.00 0.00 42.92 42.72 3d61 s ASP 153 CO 0.04 -3.73 1.90 1.56 0.68 0.00 0.00 175.17 175.62 3d61 h GLN 154 N -2.31 0.35 -0.13 2.11 4.20 -1.99 0.11 115.11 117.44 3d61 h GLN 154 Ca -0.45 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3d61 h GLN 154 Cb 1.29 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3d61 h GLN 154 CO 0.37 0.23 0.00 0.39 -0.67 0.00 0.00 178.83 179.15 3d61 n GLU 155 N -4.47 1.34 -0.89 1.46 4.71 -1.26 -4.88 120.64 116.64 3d61 n GLU 155 Ca 0.16 -0.53 0.00 0.00 -0.01 0.00 0.00 57.16 56.79 3d61 n GLU 155 Cb 0.62 -1.17 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 3d61 n GLU 155 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d61 n GLY 156 N 0.79 0.67 3.65 0.62 0.00 0.37 -5.02 105.19 106.28 3d61 n GLY 156 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3d61 n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d61 s GLN 157 N -0.11 4.23 0.24 1.61 2.00 -1.26 -4.76 119.66 121.61 3d61 s GLN 157 Ca 0.00 1.06 -0.30 0.00 -2.00 0.00 0.00 55.36 54.12 3d61 s GLN 157 Cb 0.00 -3.63 -0.09 0.00 0.80 0.00 0.00 33.01 30.10 3d61 s GLN 157 CO 0.00 -0.50 1.00 -1.25 -0.50 0.00 0.00 175.29 174.04 3d61 s PRO 158 N 2.75 4.76 0.03 1.67 0.04 -1.26 -1.04 135.00 141.95 3d61 s PRO 158 Ca 0.38 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.06 3d61 s PRO 158 Cb -0.16 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 3d61 s PRO 158 CO 0.08 0.37 -0.13 -1.58 0.04 0.00 0.00 177.00 175.78 3d61 s TRP 159 N -1.00 1.18 -0.22 0.56 0.52 0.14 -1.59 118.94 118.53 3d61 s TRP 159 Ca 0.43 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.19 3d61 s TRP 159 Cb -0.28 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 3d61 s TRP 159 CO 0.35 0.02 -0.04 -1.17 0.02 0.00 0.00 176.95 176.12 3d61 s LEU 160 N -0.93 2.90 0.12 2.99 2.96 0.22 -1.37 118.68 125.57 3d61 s LEU 160 Ca 0.02 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 3d61 s LEU 160 Cb -0.07 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3d61 s LEU 160 CO 0.01 -0.01 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.06 3d61 s SER 161 N 1.44 4.77 0.10 3.68 1.04 0.13 -1.40 113.70 123.46 3d61 s SER 161 Ca 0.05 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.04 3d61 s SER 161 Cb -0.14 -1.04 0.05 0.00 0.10 0.00 0.00 66.02 64.99 3d61 s SER 161 CO -0.03 0.15 0.62 2.22 0.98 0.00 0.00 173.24 177.18 3d61 n PHE 162 N 0.37 -1.00 0.00 5.02 1.16 -0.87 -0.61 117.46 121.53 3d61 n PHE 162 Ca -0.11 -0.74 0.00 0.00 -1.87 0.00 0.00 57.45 54.73 3d61 n PHE 162 Cb 0.53 0.36 0.00 0.00 -1.61 0.00 0.00 39.48 38.76 3d61 n PHE 162 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3d61 n GLY 163 N -0.44 3.84 3.34 4.97 0.00 0.05 -0.42 105.19 116.53 3d61 n GLY 163 Ca -0.01 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.41 3d61 n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d61 s SER 164 N 0.00 -0.97 0.99 1.61 0.15 -1.25 -2.70 113.70 111.54 3d61 s SER 164 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 3d61 s SER 164 Cb 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 3d61 s SER 164 CO 0.00 -0.18 0.00 0.49 1.20 0.00 0.00 173.24 174.75 3d61 n PHE 165 N 5.33 -1.06 -0.62 3.44 3.01 -0.73 -4.31 117.46 122.53 3d61 n PHE 165 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3d61 n PHE 165 Cb 0.51 0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 3d61 n PHE 165 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3d61 n TRP 166 N -0.14 0.00 0.37 1.38 8.01 -1.26 -0.90 117.44 124.89 3d61 n TRP 166 Ca 0.00 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.33 3d61 n TRP 166 Cb 0.00 0.01 0.55 0.00 -2.01 0.00 0.00 31.31 29.86 3d61 n TRP 166 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3d61 h SER 167 N 1.23 0.00 0.00 -0.99 4.64 -1.23 -3.43 113.55 113.77 3d61 h SER 167 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d61 h SER 167 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d61 h SER 167 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3d61 n GLY 168 N 0.06 0.24 3.71 -0.77 0.00 -0.08 -4.65 105.19 103.70 3d61 n GLY 168 Ca 0.02 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3d61 n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d61 s ILE 169 N 0.00 4.86 0.26 -0.61 -1.09 -0.22 -3.99 121.20 120.41 3d61 s ILE 169 Ca 0.00 2.06 0.08 0.00 -2.23 0.00 0.00 60.65 60.56 3d61 s ILE 169 Cb 0.00 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3d61 s ILE 169 CO 0.00 0.13 0.09 -1.10 -1.23 0.00 0.00 174.94 172.83 3d61 s GLN 170 N 1.18 2.57 -0.06 2.79 -1.52 0.44 -0.33 119.66 124.73 3d61 s GLN 170 Ca 0.51 -1.27 -0.04 0.00 -1.95 0.00 0.00 55.36 52.62 3d61 s GLN 170 Cb -0.21 -2.34 0.02 0.00 -0.22 0.00 0.00 33.01 30.27 3d61 s GLN 170 CO 0.26 0.37 0.14 -1.17 -0.25 0.00 0.00 175.29 174.64 3d61 s LEU 171 N -3.75 1.13 -0.13 2.90 2.96 0.30 -2.06 118.68 120.03 3d61 s LEU 171 Ca 0.32 0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 3d61 s LEU 171 Cb -0.07 0.41 0.04 0.00 0.50 0.00 0.00 46.19 47.07 3d61 s LEU 171 CO 0.22 -0.09 0.39 -0.51 -1.32 0.00 0.00 176.35 175.04 3d61 s ILE 172 N 0.59 0.01 0.33 6.68 2.07 -0.49 -0.55 121.20 129.83 3d61 s ILE 172 Ca -0.04 -0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 58.87 3d61 s ILE 172 Cb -0.06 -0.57 -0.09 0.00 0.13 0.00 0.00 42.46 41.86 3d61 s ILE 172 CO -0.03 -0.03 1.18 -1.10 -1.91 0.00 0.00 174.94 173.05 3d61 s GLN 173 N 0.02 4.38 0.16 3.50 -0.21 -1.26 -0.61 119.66 125.64 3d61 s GLN 173 Ca -0.02 1.93 0.08 0.00 0.02 0.00 0.00 55.36 57.37 3d61 s GLN 173 Cb -0.03 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 3d61 s GLN 173 CO 0.01 -0.07 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.54 3d61 s LEU 174 N -1.88 3.11 0.04 2.90 1.43 -0.62 -4.13 118.68 119.52 3d61 s LEU 174 Ca 0.50 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 3d61 s LEU 174 Cb -0.34 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 3d61 s LEU 174 CO 0.44 0.11 0.55 -0.62 0.23 0.00 0.00 176.35 177.06 3d61 s ASP 175 N -2.76 6.99 0.47 2.29 -1.08 -0.46 -4.43 116.67 117.70 3d61 s ASP 175 Ca 0.25 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.60 3d61 s ASP 175 Cb -0.09 -2.34 1.08 0.00 -1.46 0.00 0.00 42.92 40.11 3d61 s ASP 175 CO 0.16 0.23 2.06 0.71 0.52 0.00 0.00 175.17 178.85 3d61 h THR 176 N 3.76 1.07 0.03 1.71 1.35 -1.93 0.63 112.91 119.52 3d61 h THR 176 Ca -0.48 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3d61 h THR 176 Cb 1.21 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3d61 h THR 176 CO 0.65 0.10 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.68 3d61 h GLU 177 N 0.08 -0.03 0.00 4.72 4.39 -1.96 -3.37 114.58 118.42 3d61 h GLU 177 Ca 0.02 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3d61 h GLU 177 Cb 0.14 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 3d61 h GLU 177 CO 0.01 0.44 -0.74 1.79 -1.16 0.00 0.00 179.01 179.35 3d61 h THR 178 N -0.98 0.98 -2.56 1.13 1.35 -1.99 -3.47 112.91 107.37 3d61 h THR 178 Ca -0.00 -2.44 -0.35 0.00 -0.55 0.00 0.00 66.41 63.07 3d61 h THR 178 Cb 0.49 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 3d61 h THR 178 CO 0.01 0.56 -0.46 0.23 -0.25 0.00 0.00 175.52 175.61 3d61 n MET 179 N -3.20 -1.48 -4.16 4.72 2.81 0.22 -4.98 117.12 111.05 3d61 n MET 179 Ca -0.00 0.86 -0.14 0.00 -1.81 0.00 0.00 57.70 56.61 3d61 n MET 179 Cb 0.79 -5.34 -0.11 0.00 -0.71 0.00 0.00 33.22 27.85 3d61 n MET 179 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3d61 s LYS 180 N -4.90 0.79 0.50 0.03 1.02 -1.25 -4.80 119.74 111.13 3d61 s LYS 180 Ca 0.01 -1.12 -0.21 0.00 0.02 0.00 0.00 55.97 54.67 3d61 s LYS 180 Cb -0.00 -0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 36.79 3d61 s LYS 180 CO 0.01 0.06 1.11 -1.25 -0.92 0.00 0.00 175.35 174.36 3d61 s PRO 181 N -2.76 3.62 0.73 -1.68 0.04 -1.26 -1.35 135.00 132.34 3d61 s PRO 181 Ca 0.04 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.52 3d61 s PRO 181 Cb -0.03 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.38 3d61 s PRO 181 CO -0.01 -0.63 1.24 0.00 0.04 0.00 0.00 177.00 177.64 3d61 s ALA 182 N -1.75 2.10 0.50 8.56 0.00 -1.26 -4.86 121.76 125.06 3d61 s ALA 182 Ca 0.68 0.98 0.16 0.00 0.00 0.00 0.00 51.96 53.78 3d61 s ALA 182 Cb -0.23 -3.51 1.23 0.00 0.00 0.00 0.00 23.12 20.61 3d61 s ALA 182 CO 0.27 -1.93 2.11 0.00 0.00 0.00 0.00 175.76 176.22 3d61 h ALA 183 N -0.23 2.03 -0.51 0.00 0.00 -1.99 -1.73 119.26 116.83 3d61 h ALA 183 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3d61 h ALA 183 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3d61 h ALA 183 CO 0.50 -0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.73 3d61 n GLN 184 N -4.51 3.50 -1.97 0.00 6.02 -1.26 -5.01 117.38 114.15 3d61 n GLN 184 Ca -0.00 -2.75 -0.38 0.00 -0.01 0.00 0.00 57.00 53.85 3d61 n GLN 184 Cb 0.16 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 29.64 3d61 n GLN 184 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d61 s ALA 185 N -1.96 3.01 0.02 -1.58 0.00 -0.65 -4.97 121.76 115.62 3d61 s ALA 185 Ca 0.45 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 53.38 3d61 s ALA 185 Cb 0.30 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3d61 s ALA 185 CO 0.19 -1.04 0.78 -2.00 0.00 0.00 0.00 175.76 173.69 3d61 s GLU 186 N -2.64 4.49 -0.22 0.00 2.12 -1.26 -4.97 118.70 116.22 3d61 s GLU 186 Ca 0.65 1.06 -0.16 0.00 0.36 0.00 0.00 54.97 56.88 3d61 s GLU 186 Cb -0.37 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3d61 s GLU 186 CO 0.46 0.20 0.40 -1.17 -0.54 0.00 0.00 175.26 174.60 3d61 s LEU 187 N 0.25 4.11 -0.08 2.70 2.96 -1.26 -4.52 118.68 122.85 3d61 s LEU 187 Ca 0.40 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 3d61 s LEU 187 Cb -0.20 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3d61 s LEU 187 CO 0.22 -0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.25 3d61 s LEU 188 N 1.59 2.79 -0.22 -0.68 1.43 0.28 -4.93 118.68 118.95 3d61 s LEU 188 Ca 0.18 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 3d61 s LEU 188 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3d61 s LEU 188 CO 0.08 0.29 0.42 -0.89 0.23 0.00 0.00 176.35 176.49 3d61 s THR 189 N -0.42 5.17 -0.27 5.49 2.01 -1.26 0.11 115.64 126.46 3d61 s THR 189 Ca 0.05 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.82 3d61 s THR 189 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3d61 s THR 189 CO 0.02 0.21 0.26 2.30 -0.69 0.00 0.00 174.62 176.71 3d61 n ILE 190 N 4.62 0.00 -3.66 1.82 -5.35 0.55 -4.97 119.36 112.37 3d61 n ILE 190 Ca -0.07 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 3d61 n ILE 190 Cb 0.51 1.02 -0.08 0.00 -1.74 0.00 0.00 39.64 39.34 3d61 n ILE 190 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d61 s ALA 191 N -1.28 -1.45 -0.22 -1.28 0.00 -1.23 -4.30 121.76 112.01 3d61 s ALA 191 Ca 0.02 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.20 3d61 s ALA 191 Cb 0.04 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.53 3d61 s ALA 191 CO 0.17 -0.29 0.79 0.45 0.00 0.00 0.00 175.76 176.87 3d61 s SER 192 N -0.08 -0.65 0.43 0.00 0.15 0.19 -1.06 113.70 112.69 3d61 s SER 192 Ca -0.03 1.12 0.22 0.00 0.70 0.00 0.00 55.95 57.96 3d61 s SER 192 Cb -0.04 1.08 0.94 0.00 -1.71 0.00 0.00 66.02 66.30 3d61 s SER 192 CO 0.03 -0.31 1.85 0.03 1.20 0.00 0.00 173.24 176.03 3d61 h ARG 193 N 4.26 0.00 -0.06 5.44 2.47 -1.84 0.11 114.38 124.76 3d61 h ARG 193 Ca -0.28 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 3d61 h ARG 193 Cb 1.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 3d61 h ARG 193 CO 0.15 0.26 -0.03 0.41 0.56 0.00 0.00 179.97 181.32 3d61 n GLY 194 N -0.03 0.51 3.67 0.04 0.00 -1.26 -3.34 105.19 104.78 3d61 n GLY 194 Ca -0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3d61 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d61 s GLU 195 N -1.08 2.06 -0.12 1.61 2.02 -1.26 -5.04 118.70 116.89 3d61 s GLU 195 Ca 0.00 -2.08 -0.01 0.00 0.02 0.00 0.00 54.97 52.90 3d61 s GLU 195 Cb 0.00 -1.72 0.03 0.00 0.10 0.00 0.00 34.13 32.54 3d61 s GLU 195 CO 0.00 -0.12 -0.04 -1.21 0.02 0.00 0.00 175.26 173.91 3d61 s GLU 196 N -3.79 1.16 0.84 1.61 0.41 -1.26 -2.35 118.70 115.32 3d61 s GLU 196 Ca 0.33 -0.22 -0.11 0.00 -0.41 0.00 0.00 54.97 54.56 3d61 s GLU 196 Cb 0.07 -1.55 0.10 0.00 -1.78 0.00 0.00 34.13 30.97 3d61 s GLU 196 CO 0.17 -0.35 1.10 -1.25 -0.49 0.00 0.00 175.26 174.45 3d61 s PRO 197 N 1.78 1.67 -1.05 0.39 0.04 -1.26 -5.08 135.00 131.49 3d61 s PRO 197 Ca 0.03 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 3d61 s PRO 197 Cb -0.13 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 32.82 3d61 s PRO 197 CO -0.07 -2.06 1.09 1.21 0.04 0.00 0.00 177.00 177.21 3d61 s ASN 198 N -3.20 7.12 -1.27 6.66 2.47 -0.99 -4.98 114.94 120.75 3d61 s ASN 198 Ca 0.63 -3.20 -0.19 0.00 0.42 0.00 0.00 52.86 50.53 3d61 s ASN 198 Cb -0.19 -2.25 0.02 0.00 -1.45 0.00 0.00 41.25 37.38 3d61 s ASN 198 CO 0.57 -0.48 1.87 0.00 -3.72 0.00 0.00 177.10 175.35 3d61 n ALA 199 N 3.71 3.51 -3.31 1.71 0.00 -1.26 -3.57 120.51 121.29 3d61 n ALA 199 Ca 0.24 -3.65 -0.13 0.00 0.00 0.00 0.00 53.44 49.90 3d61 n ALA 199 Cb 0.42 -3.57 -0.13 0.00 0.00 0.00 0.00 19.45 16.17 3d61 n ALA 199 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3d61 s ILE 200 N 5.51 -0.02 0.17 0.00 2.07 -1.26 -1.68 121.20 125.99 3d61 s ILE 200 Ca 0.56 0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.70 3d61 s ILE 200 Cb 0.05 -0.27 0.06 0.00 0.13 0.00 0.00 42.46 42.44 3d61 s ILE 200 CO 0.07 0.03 0.79 -1.84 -1.91 0.00 0.00 174.94 172.08 3d61 n GLU 201 N 3.46 0.57 -3.42 3.50 0.28 -0.82 -1.78 120.64 122.43 3d61 n GLU 201 Ca -0.18 -1.27 -0.20 0.00 -0.16 0.00 0.00 57.16 55.36 3d61 n GLU 201 Cb 0.56 1.69 0.04 0.00 1.43 0.00 0.00 31.44 35.17 3d61 n GLU 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3d61 n ALA 202 N -1.20 -2.54 -1.66 -1.84 0.00 -1.10 -0.90 120.51 111.27 3d61 n ALA 202 Ca -0.11 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 3d61 n ALA 202 Cb 0.47 -4.18 0.02 0.00 0.00 0.00 0.00 19.45 15.75 3d61 n ALA 202 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3d61 s PRO 203 N -4.84 3.28 -0.24 0.00 0.04 -1.26 -4.19 135.00 127.79 3d61 s PRO 203 Ca 0.37 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 3d61 s PRO 203 Cb -0.09 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.53 3d61 s PRO 203 CO 0.80 -0.83 0.51 0.12 0.04 0.00 0.00 177.00 177.64 3d61 s PHE 204 N -2.60 -1.04 -0.08 0.56 2.19 -0.38 -4.53 117.98 112.10 3d61 s PHE 204 Ca 0.62 1.78 0.01 0.00 0.33 0.00 0.00 56.93 59.68 3d61 s PHE 204 Cb -0.15 0.48 -0.03 0.00 -1.31 0.00 0.00 43.02 42.02 3d61 s PHE 204 CO 0.40 -0.59 -0.10 0.42 1.83 0.00 0.00 175.22 177.19 3d61 s ILE 205 N 2.73 3.39 0.05 3.12 1.01 -1.26 -0.98 121.20 129.26 3d61 s ILE 205 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3d61 s ILE 205 Cb -0.12 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3d61 s ILE 205 CO -0.16 0.57 -0.06 0.68 0.00 0.00 0.00 174.94 175.97 3d61 s VAL 206 N -0.45 0.48 -0.14 2.92 -7.23 -0.81 -4.77 120.40 110.39 3d61 s VAL 206 Ca 0.06 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.93 3d61 s VAL 206 Cb -0.12 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 3d61 s VAL 206 CO 0.02 -0.54 -0.04 0.00 -0.31 0.00 0.00 175.10 174.23 3d61 s ARG 208 N 0.17 0.11 -1.12 0.00 3.52 0.48 -4.95 118.95 117.16 3d61 s ARG 208 Ca -0.02 0.61 -0.21 0.00 -0.13 0.00 0.00 55.73 55.99 3d61 s ARG 208 Cb -0.14 -0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.99 3d61 s ARG 208 CO 0.03 -0.34 0.79 0.09 -0.81 0.00 0.00 175.30 175.06 3d61 n ASN 209 N 5.34 -5.36 0.00 -2.12 3.02 -1.26 -2.15 115.26 112.73 3d61 n ASN 209 Ca -0.05 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3d61 n ASN 209 Cb 0.50 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 3d61 n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d61 n GLY 210 N -1.70 0.36 3.27 7.41 0.00 -1.26 -4.99 105.19 108.27 3d61 n GLY 210 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 3d61 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d61 s TYR 211 N -1.88 1.68 -0.20 1.61 2.02 -0.91 -4.63 117.35 115.04 3d61 s TYR 211 Ca 0.00 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 3d61 s TYR 211 Cb 0.00 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.62 3d61 s TYR 211 CO 0.00 0.19 -0.01 0.71 -1.57 0.00 0.00 175.55 174.87 3d61 s TYR 212 N -1.28 3.02 -0.22 2.71 2.02 0.62 -0.38 117.35 123.84 3d61 s TYR 212 Ca 0.06 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 3d61 s TYR 212 Cb -0.09 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 3d61 s TYR 212 CO 0.04 -0.28 0.05 0.71 -1.57 0.00 0.00 175.55 174.50 3d61 s TYR 213 N 1.07 3.11 -0.39 2.71 1.51 0.99 -1.45 117.35 124.91 3d61 s TYR 213 Ca 0.02 -0.29 -0.12 0.00 -1.01 0.00 0.00 57.07 55.67 3d61 s TYR 213 Cb -0.14 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3d61 s TYR 213 CO 0.01 -0.19 0.24 -1.17 -1.11 0.00 0.00 175.55 173.33 3d61 s LEU 214 N 1.12 4.84 -0.08 -1.29 2.96 0.00 -1.92 118.68 124.31 3d61 s LEU 214 Ca 0.04 -0.95 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 3d61 s LEU 214 Cb -0.14 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3d61 s LEU 214 CO 0.03 -0.40 0.25 -0.36 -1.32 0.00 0.00 176.35 174.55 3d61 s PHE 215 N 1.60 3.63 0.21 5.38 0.40 -0.15 -1.94 117.98 127.11 3d61 s PHE 215 Ca 0.03 0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 57.01 3d61 s PHE 215 Cb -0.19 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 3d61 s PHE 215 CO 0.08 0.64 0.24 0.14 0.70 0.00 0.00 175.22 177.02 3d61 s VAL 216 N -0.85 0.00 -0.15 -0.44 -7.23 -0.22 -1.24 120.40 110.27 3d61 s VAL 216 Ca 0.18 -1.79 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3d61 s VAL 216 Cb -0.14 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3d61 s VAL 216 CO 0.07 -0.02 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.31 3d61 s SER 217 N -3.11 4.31 0.12 4.85 0.01 -0.08 -1.43 113.70 118.38 3d61 s SER 217 Ca 0.33 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 3d61 s SER 217 Cb 0.04 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3d61 s SER 217 CO 0.10 0.15 0.29 -0.36 0.41 0.00 0.00 173.24 173.83 3d61 s PHE 218 N 0.48 3.50 0.00 2.43 0.40 0.10 -1.94 117.98 122.95 3d61 s PHE 218 Ca -0.07 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 3d61 s PHE 218 Cb -0.15 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.57 3d61 s PHE 218 CO 0.04 0.50 0.00 -0.25 0.70 0.00 0.00 175.22 176.21 3d61 n ASP 219 N -0.11 0.00 -4.65 1.36 8.00 -0.68 -1.79 116.55 118.68 3d61 n ASP 219 Ca -0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.09 3d61 n ASP 219 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.53 3d61 n ASP 219 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3d61 s PHE 220 N 0.00 3.30 0.38 1.24 0.08 -1.26 -4.73 117.98 116.98 3d61 s PHE 220 Ca 0.00 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.23 3d61 s PHE 220 Cb 0.00 -2.23 0.07 0.00 -0.57 0.00 0.00 43.02 40.29 3d61 s PHE 220 CO 0.00 0.07 0.52 0.00 -0.10 0.00 0.00 175.22 175.71 3d61 n ARG 223 N -3.42 0.73 0.00 0.00 1.74 -1.26 -5.02 116.66 109.43 3d61 n ARG 223 Ca -0.10 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 3d61 n ARG 223 Cb 0.60 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 3d61 n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d61 n GLY 224 N -0.51 3.28 0.00 -0.13 0.00 -1.26 -1.00 105.19 105.58 3d61 n GLY 224 Ca 0.10 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3d61 n GLY 224 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3d61 n ILE 225 N 0.00 0.16 -0.45 -0.61 -5.35 -1.26 -1.82 119.36 110.03 3d61 n ILE 225 Ca 0.00 0.04 0.09 0.00 -0.27 0.00 0.00 62.75 62.61 3d61 n ILE 225 Cb 0.00 -0.77 0.28 0.00 -1.74 0.00 0.00 39.64 37.40 3d61 n ILE 225 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3d61 n GLU 226 N -1.09 3.10 -2.41 6.28 1.02 -0.17 -4.97 120.64 122.41 3d61 n GLU 226 Ca 0.11 -2.56 -0.35 0.00 -0.02 0.00 0.00 57.16 54.34 3d61 n GLU 226 Cb 0.08 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.88 3d61 n GLU 226 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3d61 s SER 227 N -1.06 6.08 -0.09 1.62 0.01 -0.76 -4.83 113.70 114.67 3d61 s SER 227 Ca 0.41 2.05 0.14 0.00 1.31 0.00 0.00 55.95 59.86 3d61 s SER 227 Cb 0.24 -2.57 0.21 0.00 0.21 0.00 0.00 66.02 64.11 3d61 s SER 227 CO 0.23 -0.97 1.10 0.35 0.41 0.00 0.00 173.24 174.36 3d61 n THR 228 N -1.08 1.46 -1.58 1.44 -2.24 0.78 -4.20 114.28 108.86 3d61 n THR 228 Ca 0.10 -1.73 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 3d61 n THR 228 Cb 0.52 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3d61 n THR 228 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d61 n TYR 229 N -1.08 0.96 -3.80 4.78 9.36 -0.85 -4.22 117.16 122.31 3d61 n TYR 229 Ca 0.11 0.61 -0.12 0.00 3.32 0.00 0.00 57.90 61.82 3d61 n TYR 229 Cb 0.60 -2.20 -0.09 0.00 -0.63 0.00 0.00 39.34 37.02 3d61 n TYR 229 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3d61 s LYS 230 N -1.80 0.59 -0.22 2.98 1.02 -0.74 -3.65 119.74 117.92 3d61 s LYS 230 Ca 0.62 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.29 3d61 s LYS 230 Cb -0.61 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 3d61 s LYS 230 CO 0.58 -0.15 0.08 0.42 -0.92 0.00 0.00 175.35 175.35 3d61 s ILE 231 N -1.28 4.64 0.20 2.17 1.01 0.14 0.03 121.20 128.11 3d61 s ILE 231 Ca -0.13 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.54 3d61 s ILE 231 Cb -0.06 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3d61 s ILE 231 CO 0.03 0.39 -0.19 0.00 0.00 0.00 0.00 174.94 175.18 3d61 s ALA 232 N 0.97 2.23 0.01 9.38 0.00 -0.51 0.91 121.76 134.75 3d61 s ALA 232 Ca 0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 3d61 s ALA 232 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3d61 s ALA 232 CO 0.03 0.25 0.05 0.54 0.00 0.00 0.00 175.76 176.63 3d61 s VAL 233 N -2.21 0.10 0.23 0.00 0.11 0.46 -1.05 120.40 118.03 3d61 s VAL 233 Ca 0.20 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.36 3d61 s VAL 233 Cb -0.05 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3d61 s VAL 233 CO 0.09 -0.46 0.30 -0.83 -3.33 0.00 0.00 175.10 170.87 3d61 s GLY 234 N -1.47 1.02 0.19 6.54 0.00 -0.82 -0.65 107.32 112.13 3d61 s GLY 234 Ca -0.15 -1.31 -0.05 0.00 0.00 0.00 0.00 44.72 43.21 3d61 s GLY 234 CO -0.00 -1.03 0.22 1.09 0.00 0.00 0.00 173.10 173.38 3d61 s ARG 235 N -4.07 1.21 -0.06 2.90 1.70 0.44 -0.82 118.95 120.25 3d61 s ARG 235 Ca 0.31 -1.43 -0.31 0.00 -0.47 0.00 0.00 55.73 53.83 3d61 s ARG 235 Cb 0.03 0.33 0.07 0.00 -0.57 0.00 0.00 34.95 34.81 3d61 s ARG 235 CO 0.11 -0.43 0.70 0.45 -1.08 0.00 0.00 175.30 175.05 3d61 s SER 236 N -3.07 -0.64 0.31 -2.89 0.15 -0.53 -0.22 113.70 106.81 3d61 s SER 236 Ca 0.29 0.72 0.17 0.00 0.70 0.00 0.00 55.95 57.82 3d61 s SER 236 Cb 0.05 0.55 0.26 0.00 -1.71 0.00 0.00 66.02 65.16 3d61 s SER 236 CO 0.07 -0.58 1.53 0.11 1.20 0.00 0.00 173.24 175.57 3d61 h LYS 237 N 3.02 0.00 -5.58 5.44 1.57 -1.86 0.18 116.57 119.34 3d61 h LYS 237 Ca -0.26 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.86 3d61 h LYS 237 Cb 1.14 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.26 3d61 h LYS 237 CO 0.38 0.45 -0.65 -0.51 -0.57 0.00 0.00 179.45 178.54 3d61 s ASP 238 N -6.42 4.93 0.61 0.86 1.01 -1.26 -4.73 116.67 111.66 3d61 s ASP 238 Ca 0.03 -0.04 0.35 0.00 0.71 0.00 0.00 52.55 53.61 3d61 s ASP 238 Cb 0.08 -1.63 1.98 0.00 1.01 0.00 0.00 42.92 44.36 3d61 s ASP 238 CO 0.72 0.25 2.26 -0.29 0.21 0.00 0.00 175.17 178.32 3d61 h ILE 239 N 4.77 0.31 -0.11 0.77 2.10 -1.96 0.29 117.51 123.67 3d61 h ILE 239 Ca -0.38 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.45 3d61 h ILE 239 Cb 1.19 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 3d61 h ILE 239 CO 0.60 0.02 0.00 0.35 -1.08 0.00 0.00 178.15 178.04 3d61 n THR 240 N -3.49 0.14 -0.36 2.19 -2.24 -1.26 -5.04 114.28 104.22 3d61 n THR 240 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3d61 n THR 240 Cb 0.11 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3d61 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d61 n GLY 241 N 1.06 -2.31 3.74 3.38 0.00 0.09 -4.86 105.19 106.29 3d61 n GLY 241 Ca 0.16 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3d61 n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d61 s PRO 242 N -0.24 4.69 -0.06 1.61 0.04 -1.26 -4.44 135.00 135.34 3d61 s PRO 242 Ca 0.00 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 3d61 s PRO 242 Cb 0.00 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 3d61 s PRO 242 CO 0.00 0.25 0.78 0.71 0.04 0.00 0.00 177.00 178.78 3d61 s TYR 243 N -0.67 3.58 0.07 0.56 1.51 -1.26 -4.43 117.35 116.71 3d61 s TYR 243 Ca 0.46 1.36 0.05 0.00 -1.01 0.00 0.00 57.07 57.92 3d61 s TYR 243 Cb -0.28 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.64 3d61 s TYR 243 CO 0.35 0.03 -0.14 0.08 -1.11 0.00 0.00 175.55 174.75 3d61 s VAL 244 N 1.00 1.11 0.11 0.71 1.01 0.70 -0.37 120.40 124.65 3d61 s VAL 244 Ca 0.41 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 3d61 s VAL 244 Cb -0.18 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3d61 s VAL 244 CO 0.20 -0.19 0.15 -0.90 0.00 0.00 0.00 175.10 174.35 3d61 n ASP 245 N 1.37 0.18 -0.07 3.32 5.68 -0.58 -0.42 116.55 126.03 3d61 n ASP 245 Ca -0.21 -1.15 0.05 0.00 -0.50 0.00 0.00 54.79 52.98 3d61 n ASP 245 Cb 0.54 -0.10 0.41 0.00 -1.14 0.00 0.00 41.12 40.83 3d61 n ASP 245 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3d61 h LYS 246 N 0.00 0.59 -0.02 0.11 1.57 -1.90 -1.87 116.57 115.06 3d61 h LYS 246 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3d61 h LYS 246 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3d61 h LYS 246 CO 0.05 0.39 0.00 0.09 -0.57 0.00 0.00 179.45 179.41 3d61 n ASN 247 N -4.47 0.28 0.00 0.86 5.03 -1.26 -4.87 115.26 110.82 3d61 n ASN 247 Ca 0.06 -1.36 0.00 0.00 0.87 0.00 0.00 54.58 54.15 3d61 n ASN 247 Cb 0.13 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3d61 n ASN 247 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d61 n GLY 248 N 0.90 0.48 3.72 7.41 0.00 -0.70 -5.02 105.19 111.99 3d61 n GLY 248 Ca 0.17 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3d61 n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d61 s VAL 249 N -2.00 5.12 0.37 1.61 1.01 -1.26 -4.81 120.40 120.44 3d61 s VAL 249 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 3d61 s VAL 249 Cb 0.00 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3d61 s VAL 249 CO 0.00 0.30 1.33 -0.55 0.00 0.00 0.00 175.10 176.18 3d61 s SER 250 N 0.65 6.51 0.00 3.32 0.15 -1.26 -1.52 113.70 121.54 3d61 s SER 250 Ca 0.31 2.73 0.20 0.00 0.70 0.00 0.00 55.95 59.89 3d61 s SER 250 Cb -0.16 -2.65 1.01 0.00 -1.71 0.00 0.00 66.02 62.51 3d61 s SER 250 CO 0.14 -0.72 1.63 0.23 1.20 0.00 0.00 173.24 175.71 3d61 n MET 251 N 0.46 0.29 0.02 5.44 0.00 0.50 -0.57 117.12 123.25 3d61 n MET 251 Ca 0.02 0.10 0.12 0.00 0.00 0.00 0.00 57.70 57.94 3d61 n MET 251 Cb 0.42 -1.50 0.31 0.00 0.00 0.00 0.00 33.22 32.45 3d61 n MET 251 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3d61 n MET 252 N -1.28 0.08 -1.43 0.03 2.81 -1.26 0.56 117.12 116.63 3d61 n MET 252 Ca 0.09 0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.91 3d61 n MET 252 Cb 0.16 -1.56 0.10 0.00 -0.71 0.00 0.00 33.22 31.21 3d61 n MET 252 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3d61 n GLN 253 N -1.68 2.63 -0.87 0.03 1.13 -0.51 -4.30 117.38 113.81 3d61 n GLN 253 Ca 0.05 -3.74 0.00 0.00 -1.94 0.00 0.00 57.00 51.37 3d61 n GLN 253 Cb 0.36 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.78 3d61 n GLN 253 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d61 n GLY 254 N -0.85 0.74 3.74 1.08 0.00 0.36 -4.86 105.19 105.39 3d61 n GLY 254 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 3d61 n GLY 254 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d61 s GLY 255 N -1.94 2.14 0.00 -0.02 0.00 0.26 -4.95 107.32 102.82 3d61 s GLY 255 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3d61 s GLY 255 CO 0.00 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.78 3d61 n GLY 256 N -0.07 3.31 3.67 0.20 0.00 -1.26 -4.38 105.19 106.66 3d61 n GLY 256 Ca 0.12 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3d61 n GLY 256 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d61 s THR 257 N 0.00 4.98 -0.05 2.61 2.01 0.18 -4.73 115.64 120.63 3d61 s THR 257 Ca 0.00 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 3d61 s THR 257 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3d61 s THR 257 CO 0.00 0.10 1.40 -0.63 -0.69 0.00 0.00 174.62 174.80 3d61 s ILE 258 N 1.86 3.86 -0.13 1.82 -1.09 -1.26 -0.40 121.20 125.86 3d61 s ILE 258 Ca 0.33 1.16 0.10 0.00 -2.23 0.00 0.00 60.65 60.01 3d61 s ILE 258 Cb -0.16 -3.75 -0.23 0.00 -1.58 0.00 0.00 42.46 36.74 3d61 s ILE 258 CO 0.12 -0.05 0.32 -0.11 -1.23 0.00 0.00 174.94 173.99 3d61 n LEU 259 N 6.00 1.09 -3.64 2.97 7.94 0.26 -4.96 117.00 126.66 3d61 n LEU 259 Ca 0.14 0.18 -0.05 0.00 -1.11 0.00 0.00 56.01 55.18 3d61 n LEU 259 Cb 0.44 -0.04 -0.07 0.00 0.53 0.00 0.00 43.42 44.29 3d61 n LEU 259 CO 0.58 0.56 0.49 -0.62 -1.11 0.00 0.00 177.39 177.29 3d61 s ASP 260 N -6.08 -0.76 -0.01 1.96 2.15 -1.16 -4.74 116.67 108.03 3d61 s ASP 260 Ca -0.13 1.20 0.01 0.00 0.43 0.00 0.00 52.55 54.07 3d61 s ASP 260 Cb 0.07 1.36 0.02 0.00 -0.30 0.00 0.00 42.92 44.07 3d61 s ASP 260 CO 0.79 -0.19 0.96 -1.84 -0.17 0.00 0.00 175.17 174.72 3d61 n GLU 261 N 4.12 2.55 0.00 4.34 0.28 -1.26 -0.68 120.64 130.00 3d61 n GLU 261 Ca -0.19 -1.47 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 3d61 n GLU 261 Cb 0.58 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.47 3d61 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d61 n GLY 262 N -0.51 -1.52 0.00 -1.84 0.00 -1.26 -4.48 105.19 95.57 3d61 n GLY 262 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3d61 n GLY 262 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d61 n ASN 263 N -0.15 0.00 0.00 1.61 0.23 -0.06 -5.01 115.26 111.88 3d61 n ASN 263 Ca 0.00 -0.68 0.09 0.00 -0.53 0.00 0.00 54.58 53.46 3d61 n ASN 263 Cb 0.00 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.15 3d61 n ASN 263 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3d61 n ASP 264 N -1.02 0.00 -0.09 0.53 8.00 -1.26 -3.43 116.55 119.28 3d61 n ASP 264 Ca 0.00 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 3d61 n ASP 264 Cb 0.00 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 3d61 n ASP 264 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3d61 n ARG 265 N -1.32 0.43 -3.98 -1.24 0.00 -1.26 -4.79 116.66 104.49 3d61 n ARG 265 Ca 0.08 0.11 -0.34 0.00 -0.00 0.00 0.00 57.85 57.70 3d61 n ARG 265 Cb 0.16 -1.33 -0.14 0.00 0.00 0.00 0.00 32.46 31.15 3d61 n ARG 265 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3d61 s TRP 266 N -2.35 3.26 0.08 -0.14 0.52 -1.22 -2.54 118.94 116.55 3d61 s TRP 266 Ca -0.24 -2.08 -0.11 0.00 0.02 0.00 0.00 56.10 53.70 3d61 s TRP 266 Cb 0.06 -2.02 -0.06 0.00 -1.15 0.00 0.00 33.47 30.30 3d61 s TRP 266 CO 0.39 -0.84 0.42 0.42 0.02 0.00 0.00 176.95 177.37 3d61 s ILE 267 N 1.18 5.06 -1.01 2.03 -1.09 0.04 -0.88 121.20 126.53 3d61 s ILE 267 Ca -0.07 0.53 -0.16 0.00 -2.23 0.00 0.00 60.65 58.72 3d61 s ILE 267 Cb -0.20 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3d61 s ILE 267 CO -0.03 0.31 0.65 0.61 -1.23 0.00 0.00 174.94 175.25 3d61 n GLY 268 N 0.98 -1.10 3.76 6.18 0.00 -1.26 -0.13 105.19 113.63 3d61 n GLY 268 Ca -0.08 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 3d61 n GLY 268 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d61 s PRO 269 N -6.04 4.44 0.04 1.61 0.04 -1.24 -4.37 135.00 129.48 3d61 s PRO 269 Ca 0.24 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 3d61 s PRO 269 Cb -0.13 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3d61 s PRO 269 CO 0.93 -0.01 0.74 0.41 0.04 0.00 0.00 177.00 179.10 3d61 n GLY 270 N 0.95 0.57 3.49 0.56 0.00 -0.43 -3.18 105.19 107.14 3d61 n GLY 270 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3d61 n GLY 270 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3d61 n HIS 271 N -0.53 -2.45 -2.78 1.61 -0.00 -1.26 -2.64 115.22 107.17 3d61 n HIS 271 Ca 0.01 0.97 -0.20 0.00 0.46 0.00 0.00 57.72 58.97 3d61 n HIS 271 Cb 0.36 -3.28 0.03 0.00 -0.12 0.00 0.00 29.99 26.99 3d61 n HIS 271 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3d61 s ALA 273 N -2.65 -0.48 -0.07 0.00 0.00 0.54 -4.76 121.76 114.34 3d61 s ALA 273 Ca 0.58 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3d61 s ALA 273 Cb -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.98 3d61 s ALA 273 CO 0.37 -0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.90 3d61 s VAL 274 N -0.87 1.17 0.07 0.00 1.01 -1.26 -0.05 120.40 120.47 3d61 s VAL 274 Ca -0.10 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3d61 s VAL 274 Cb -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3d61 s VAL 274 CO 0.02 0.36 -0.15 -0.31 0.00 0.00 0.00 175.10 175.02 3d61 s TYR 275 N 0.69 1.27 0.25 5.22 2.02 -0.98 -4.99 117.35 120.83 3d61 s TYR 275 Ca -0.14 -0.46 0.11 0.00 -0.37 0.00 0.00 57.07 56.21 3d61 s TYR 275 Cb -0.16 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 3d61 s TYR 275 CO 0.03 0.07 -0.19 -0.06 -1.57 0.00 0.00 175.55 173.83 3d61 s PHE 276 N -1.26 2.17 -0.28 2.71 0.40 -1.26 -0.78 117.98 119.67 3d61 s PHE 276 Ca -0.01 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 3d61 s PHE 276 Cb -0.10 -0.97 0.16 0.00 0.51 0.00 0.00 43.02 42.63 3d61 s PHE 276 CO 0.02 0.62 0.53 0.45 0.70 0.00 0.00 175.22 177.54 3d61 s SER 277 N -3.36 -0.83 1.69 1.36 0.15 0.06 -4.62 113.70 108.16 3d61 s SER 277 Ca 0.27 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.68 3d61 s SER 277 Cb -0.05 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 3d61 s SER 277 CO 0.13 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3d61 n GLY 278 N 5.41 2.85 0.44 9.45 0.00 -1.26 -0.82 105.19 121.26 3d61 n GLY 278 Ca -0.03 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3d61 n GLY 278 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3d61 n VAL 279 N 0.00 0.00 -2.97 1.61 0.24 -1.26 -5.00 118.33 110.94 3d61 n VAL 279 Ca 0.00 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.34 61.64 3d61 n VAL 279 Cb 0.00 1.23 0.01 0.00 -1.47 0.00 0.00 33.84 33.61 3d61 n VAL 279 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3d61 s SER 280 N -1.48 5.92 0.07 -1.34 1.04 0.00 -5.06 113.70 112.84 3d61 s SER 280 Ca 0.14 0.39 -0.16 0.00 0.48 0.00 0.00 55.95 56.80 3d61 s SER 280 Cb 0.12 -1.67 0.03 0.00 0.10 0.00 0.00 66.02 64.59 3d61 s SER 280 CO 0.27 -0.66 0.37 0.00 0.98 0.00 0.00 173.24 174.20 3d61 s ALA 281 N -2.56 -0.86 0.06 5.32 0.00 -1.26 -0.76 121.76 121.71 3d61 s ALA 281 Ca 0.47 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3d61 s ALA 281 Cb -0.10 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3d61 s ALA 281 CO 0.39 -0.50 -0.10 0.96 0.00 0.00 0.00 175.76 176.50 3d61 s ILE 282 N -2.97 0.78 -0.17 0.00 -4.36 0.04 -0.74 121.20 113.76 3d61 s ILE 282 Ca -0.02 -1.30 -0.04 0.00 -0.26 0.00 0.00 60.65 59.03 3d61 s ILE 282 Cb 0.00 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.75 3d61 s ILE 282 CO -0.06 -0.41 -0.03 -0.22 0.24 0.00 0.00 174.94 174.46 3d61 s LEU 283 N -1.88 3.18 -0.02 0.37 2.96 0.12 -2.33 118.68 121.07 3d61 s LEU 283 Ca -0.04 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3d61 s LEU 283 Cb -0.08 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3d61 s LEU 283 CO 0.00 0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.27 3d61 s VAL 284 N 0.66 2.67 0.04 1.68 1.01 0.92 -1.63 120.40 125.75 3d61 s VAL 284 Ca -0.02 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3d61 s VAL 284 Cb -0.14 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.27 3d61 s VAL 284 CO 0.02 0.54 0.85 -0.46 0.00 0.00 0.00 175.10 176.06 3d61 n ASN 285 N 2.22 -1.02 -4.44 3.32 6.94 -0.71 -0.34 115.26 121.23 3d61 n ASN 285 Ca -0.17 -1.37 -0.22 0.00 -0.02 0.00 0.00 54.58 52.80 3d61 n ASN 285 Cb 0.52 1.62 -0.10 0.00 -2.36 0.00 0.00 39.78 39.46 3d61 n ASN 285 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 3d61 s HIS 286 N -2.66 2.08 -0.00 -2.53 -3.43 -1.08 -0.14 115.29 107.52 3d61 s HIS 286 Ca 0.20 -0.50 -0.18 0.00 -0.80 0.00 0.00 55.06 53.78 3d61 s HIS 286 Cb -0.01 -1.02 0.03 0.00 -1.43 0.00 0.00 32.58 30.15 3d61 s HIS 286 CO 0.01 0.51 0.38 0.00 -2.00 0.00 0.00 174.74 173.65 3d61 s ALA 287 N -2.75 -0.96 -0.24 -1.38 0.00 -0.55 -1.31 121.76 114.57 3d61 s ALA 287 Ca 0.28 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 3d61 s ALA 287 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3d61 s ALA 287 CO 0.12 -0.32 0.68 0.71 0.00 0.00 0.00 175.76 176.95 3d61 s TYR 288 N -1.62 3.31 -0.50 0.00 2.02 0.82 -0.08 117.35 121.30 3d61 s TYR 288 Ca -0.11 0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 57.23 3d61 s TYR 288 Cb -0.03 -2.89 -0.00 0.00 -0.40 0.00 0.00 41.96 38.64 3d61 s TYR 288 CO 0.03 -0.32 1.63 0.34 -1.57 0.00 0.00 175.55 175.66 3d61 s ASP 289 N 1.39 5.85 0.59 2.29 -1.08 -0.56 -0.78 116.67 124.38 3d61 s ASP 289 Ca 0.29 0.60 0.36 0.00 -0.52 0.00 0.00 52.55 53.28 3d61 s ASP 289 Cb -0.16 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.58 3d61 s ASP 289 CO 0.09 -1.87 2.16 0.00 0.52 0.00 0.00 175.17 176.07 3d61 h ALA 290 N 12.54 1.08 -0.01 3.66 0.00 -1.80 0.48 119.26 135.21 3d61 h ALA 290 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3d61 h ALA 290 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3d61 h ALA 290 CO 1.14 0.04 -0.30 1.28 0.00 0.00 0.00 179.25 181.41 3d61 n LEU 291 N -3.25 1.16 -2.94 0.00 4.77 -1.26 -4.40 117.00 111.08 3d61 n LEU 291 Ca -0.01 -0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.45 3d61 n LEU 291 Cb 0.19 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3d61 n LEU 291 CO 0.25 0.22 -0.09 1.17 -1.33 0.00 0.00 177.39 177.61 3d61 n LYS 292 N -0.59 1.65 -2.34 3.23 4.81 -0.43 -4.95 118.16 119.55 3d61 n LYS 292 Ca 0.11 -3.72 -0.16 0.00 -0.87 0.00 0.00 58.31 53.68 3d61 n LYS 292 Cb 0.36 -1.73 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 3d61 n LYS 292 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3d61 n ASN 293 N 0.02 -4.76 -1.89 3.14 3.02 -1.22 -1.77 115.26 111.81 3d61 n ASN 293 Ca 0.23 0.13 -0.19 0.00 -0.03 0.00 0.00 54.58 54.72 3d61 n ASN 293 Cb 0.65 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 3d61 n ASN 293 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d61 n GLY 294 N -0.85 0.37 3.74 7.41 0.00 0.15 -4.76 105.19 111.26 3d61 n GLY 294 Ca -0.19 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3d61 n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d61 s GLU 295 N -4.46 4.34 0.09 1.61 2.02 -0.73 -4.14 118.70 117.44 3d61 s GLU 295 Ca 0.00 2.16 -0.31 0.00 0.02 0.00 0.00 54.97 56.84 3d61 s GLU 295 Cb 0.00 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 3d61 s GLU 295 CO 0.00 -0.31 1.62 -1.25 0.02 0.00 0.00 175.26 175.34 3d61 s PRO 296 N -0.31 4.21 0.00 0.39 0.04 -1.26 -1.49 135.00 136.57 3d61 s PRO 296 Ca 0.57 2.32 0.07 0.00 0.04 0.00 0.00 61.00 64.00 3d61 s PRO 296 Cb -0.39 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 3d61 s PRO 296 CO 0.41 -0.69 -0.20 0.99 0.04 0.00 0.00 177.00 177.54 3d61 s THR 297 N 2.23 1.61 0.29 1.26 2.01 0.89 -1.78 115.64 122.16 3d61 s THR 297 Ca 0.73 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 3d61 s THR 297 Cb -0.40 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 70.65 3d61 s THR 297 CO 0.32 0.38 1.33 -0.22 -0.69 0.00 0.00 174.62 175.74 3d61 s LEU 298 N -0.67 4.42 -0.04 4.42 2.96 0.51 -1.48 118.68 128.80 3d61 s LEU 298 Ca 0.08 2.62 0.01 0.00 -0.22 0.00 0.00 54.13 56.62 3d61 s LEU 298 Cb -0.08 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3d61 s LEU 298 CO -0.00 -0.56 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.31 3d61 s GLN 299 N -1.15 0.83 -0.08 1.98 -0.21 0.80 -4.92 119.66 116.92 3d61 s GLN 299 Ca 0.53 -0.17 -0.01 0.00 0.02 0.00 0.00 55.36 55.73 3d61 s GLN 299 Cb -0.39 -0.81 0.03 0.00 1.00 0.00 0.00 33.01 32.83 3d61 s GLN 299 CO 0.48 -0.01 -0.03 0.42 -2.12 0.00 0.00 175.29 174.03 3d61 s ILE 300 N 0.61 0.58 0.03 1.08 1.01 -1.26 -1.74 121.20 121.51 3d61 s ILE 300 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3d61 s ILE 300 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3d61 s ILE 300 CO 0.00 0.28 -0.06 -0.13 0.00 0.00 0.00 174.94 175.04 3d61 s ARG 301 N 1.70 0.43 0.30 2.79 0.52 -0.65 -4.84 118.95 119.21 3d61 s ARG 301 Ca 0.02 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 3d61 s ARG 301 Cb -0.13 -0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.07 3d61 s ARG 301 CO -0.05 0.03 1.27 -1.25 0.02 0.00 0.00 175.30 175.32 3d61 s PRO 302 N -1.34 4.41 -0.17 3.54 0.04 -1.26 0.12 135.00 140.34 3d61 s PRO 302 Ca -0.10 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 3d61 s PRO 302 Cb -0.09 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 3d61 s PRO 302 CO -0.00 -0.12 -0.11 -1.17 0.04 0.00 0.00 177.00 175.64 3d61 s LEU 303 N -1.51 2.67 0.42 -3.56 2.96 0.08 -4.40 118.68 115.34 3d61 s LEU 303 Ca 0.49 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 3d61 s LEU 303 Cb -0.38 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3d61 s LEU 303 CO 0.49 0.07 0.46 -0.31 -1.32 0.00 0.00 176.35 175.74 3d61 s TYR 304 N 0.93 2.73 -0.06 5.38 1.51 -0.24 -4.08 117.35 123.52 3d61 s TYR 304 Ca -0.02 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 3d61 s TYR 304 Cb -0.15 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.47 3d61 s TYR 304 CO -0.01 -0.26 -0.03 -1.58 -1.11 0.00 0.00 175.55 172.57 3d61 s TRP 305 N -2.43 0.73 0.59 2.71 0.52 -1.26 -0.11 118.94 119.70 3d61 s TRP 305 Ca 0.51 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.32 3d61 s TRP 305 Cb -0.06 -0.72 0.14 0.00 -1.15 0.00 0.00 33.47 31.68 3d61 s TRP 305 CO 0.30 -0.25 0.62 -0.40 0.02 0.00 0.00 176.95 177.24 3d61 n ASP 306 N 4.48 -0.93 0.12 2.95 5.68 -0.04 -4.84 116.55 123.96 3d61 n ASP 306 Ca -0.18 -1.01 0.02 0.00 -0.50 0.00 0.00 54.79 53.13 3d61 n ASP 306 Cb 0.50 -0.53 0.39 0.00 -1.14 0.00 0.00 41.12 40.34 3d61 n ASP 306 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3d61 h ASP 307 N -1.52 0.23 1.24 -1.12 3.32 -2.02 -1.12 116.42 115.43 3d61 h ASP 307 Ca -0.22 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3d61 h ASP 307 Cb 0.64 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3d61 h ASP 307 CO 0.15 0.39 0.00 -0.62 -1.72 0.00 0.00 179.24 177.44 3d61 n GLU 308 N -4.27 0.23 -0.08 3.56 4.71 -1.26 -4.90 120.64 118.63 3d61 n GLU 308 Ca -0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 3d61 n GLU 308 Cb 0.27 -1.81 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 3d61 n GLU 308 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d61 n GLY 309 N 0.94 0.79 3.75 0.62 0.00 -0.43 -5.07 105.19 105.80 3d61 n GLY 309 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3d61 n GLY 309 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d61 s TRP 310 N -2.06 3.68 0.56 1.61 0.52 -1.26 -4.72 118.94 117.27 3d61 s TRP 310 Ca 0.00 1.28 -0.18 0.00 0.02 0.00 0.00 56.10 57.22 3d61 s TRP 310 Cb 0.00 -2.70 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 3d61 s TRP 310 CO 0.00 0.28 1.10 -1.25 0.02 0.00 0.00 176.95 177.10 3d61 s PRO 311 N 0.03 3.32 -0.10 4.98 0.04 -1.26 -0.86 135.00 141.14 3d61 s PRO 311 Ca 0.34 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 3d61 s PRO 311 Cb -0.19 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3d61 s PRO 311 CO 0.19 -0.85 0.65 1.52 0.04 0.00 0.00 177.00 178.55 3d61 s TYR 312 N -2.00 -0.64 0.13 0.56 -0.85 0.85 -4.89 117.35 110.50 3d61 s TYR 312 Ca 0.70 1.23 -0.12 0.00 -0.52 0.00 0.00 57.07 58.36 3d61 s TYR 312 Cb -0.21 0.34 -0.06 0.00 0.38 0.00 0.00 41.96 42.41 3d61 s TYR 312 CO 0.30 -0.53 0.48 -0.51 -1.52 0.00 0.00 175.55 173.77 3d61 s LEU 313 N -0.81 4.32 0.62 -3.49 1.43 -1.26 -1.08 118.68 118.41 3d61 s LEU 313 Ca -0.08 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 3d61 s LEU 313 Cb -0.02 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 43.03 3d61 s LEU 313 CO 0.07 0.11 0.95 -0.55 0.23 0.00 0.00 176.35 177.17 3d61 s SER 314 N -1.82 5.56 0.00 2.29 0.15 -1.26 -4.98 113.70 113.64 3d61 s SER 314 Ca 0.37 0.83 0.25 0.00 0.70 0.00 0.00 55.95 58.11 3d61 s SER 314 Cb -0.14 -1.77 0.51 0.00 -1.71 0.00 0.00 66.02 62.90 3d61 s SER 314 CO 0.19 -1.14 1.44 1.33 1.20 0.00 0.00 173.24 176.26