#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hei n ASP 19 N 0.00 -5.01 -4.68 0.00 10.43 -1.26 -3.77 116.55 112.25 3hei n ASP 19 Ca 0.00 1.09 -0.33 0.00 2.57 0.00 0.00 54.79 58.12 3hei n ASP 19 Cb 0.00 -2.97 -0.09 0.00 1.84 0.00 0.00 41.12 39.91 3hei n ASP 19 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3hei s ARG 20 N -0.32 2.81 -0.14 -1.24 0.52 -1.26 -1.69 118.95 117.63 3hei s ARG 20 Ca -0.10 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 3hei s ARG 20 Cb 0.01 -2.68 -0.00 0.00 0.52 0.00 0.00 34.95 32.79 3hei s ARG 20 CO 0.30 0.64 -0.17 -1.01 0.02 0.00 0.00 175.30 175.08 3hei s HIS 21 N -1.05 2.74 -0.23 -0.53 3.76 -0.01 -4.96 115.29 115.01 3hei s HIS 21 Ca 0.19 -0.97 -0.11 0.00 -0.15 0.00 0.00 55.06 54.02 3hei s HIS 21 Cb -0.11 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 3hei s HIS 21 CO 0.09 -0.41 0.17 0.99 -0.85 0.00 0.00 174.74 174.73 3hei s THR 22 N 0.62 5.36 -0.17 1.30 2.01 -1.26 0.05 115.64 123.56 3hei s THR 22 Ca -0.09 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.14 3hei s THR 22 Cb -0.16 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3hei s THR 22 CO 0.03 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.42 3hei s VAL 23 N 0.93 2.10 -0.51 3.82 1.01 0.41 -4.95 120.40 123.21 3hei s VAL 23 Ca 0.08 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 3hei s VAL 23 Cb -0.13 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.45 3hei s VAL 23 CO 0.03 0.54 0.59 -0.36 0.00 0.00 0.00 175.10 175.91 3hei s PHE 24 N 1.11 3.08 -1.26 5.22 0.40 -1.26 -0.14 117.98 125.13 3hei s PHE 24 Ca 0.00 -0.66 -0.16 0.00 -0.60 0.00 0.00 56.93 55.51 3hei s PHE 24 Cb -0.14 -3.53 0.12 0.00 0.51 0.00 0.00 43.02 39.98 3hei s PHE 24 CO -0.09 -1.02 1.60 1.87 0.70 0.00 0.00 175.22 178.28 3hei n TRP 25 N 6.00 4.79 -3.85 0.36 -0.00 -0.33 -4.78 117.44 119.63 3hei n TRP 25 Ca -0.08 -3.10 -0.12 0.00 -0.00 0.00 0.00 57.50 54.20 3hei n TRP 25 Cb 0.45 -2.41 -0.14 0.00 -0.00 0.00 0.00 31.31 29.20 3hei n TRP 25 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3hei s ASN 26 N 3.50 0.01 0.00 5.87 0.02 -1.26 -3.75 114.94 119.32 3hei s ASN 26 Ca 0.48 0.01 0.14 0.00 -1.02 0.00 0.00 52.86 52.48 3hei s ASN 26 Cb 0.01 -0.01 0.68 0.00 0.02 0.00 0.00 41.25 41.95 3hei s ASN 26 CO 0.04 -0.02 1.42 -1.54 0.02 0.00 0.00 177.10 177.02 3hei n SER 27 N 3.26 0.00 0.14 -1.22 3.41 -1.26 -2.18 113.62 115.76 3hei n SER 27 Ca -0.15 0.26 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 3hei n SER 27 Cb 0.58 -0.38 0.34 0.00 -0.26 0.00 0.00 64.21 64.50 3hei n SER 27 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hei h SER 28 N 0.00 0.00 -2.95 4.04 0.02 -1.96 -3.45 113.55 109.25 3hei h SER 28 Ca 0.00 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hei h SER 28 Cb 0.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 3hei h SER 28 CO 0.00 0.00 0.96 0.21 -1.14 0.00 0.00 176.83 176.86 3hei s ASN 29 N -4.98 6.78 0.28 3.07 3.84 -0.93 -4.90 114.94 118.12 3hei s ASN 29 Ca 0.10 1.57 0.24 0.00 0.21 0.00 0.00 52.86 54.97 3hei s ASN 29 Cb 0.10 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.30 3hei s ASN 29 CO 0.62 -0.92 1.72 -0.81 -2.79 0.00 0.00 177.10 174.92 3hei n PRO 30 N 6.97 0.20 0.32 0.43 -0.04 -1.26 -2.46 135.00 139.17 3hei n PRO 30 Ca 0.15 0.46 0.21 0.00 -0.04 0.00 0.00 63.50 64.28 3hei n PRO 30 Cb 0.45 -1.91 1.09 0.00 -0.04 0.00 0.00 33.50 33.10 3hei n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hei h LYS 31 N 0.00 0.00 -0.01 0.54 1.57 -1.97 -1.64 116.57 115.06 3hei h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hei h LYS 31 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hei h LYS 31 CO 0.00 0.00 -0.31 1.19 -0.57 0.00 0.00 179.45 179.76 3hei n PHE 32 N -3.03 0.00 0.21 -1.35 3.01 -1.03 -4.09 117.46 111.18 3hei n PHE 32 Ca -0.02 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.51 3hei n PHE 32 Cb 0.11 -0.13 0.44 0.00 -0.01 0.00 0.00 39.48 39.90 3hei n PHE 32 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 3hei h ARG 33 N 1.14 0.00 -0.66 -1.08 0.11 -1.47 -1.96 114.38 110.45 3hei h ARG 33 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hei h ARG 33 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3hei h ARG 33 CO 0.00 0.30 0.00 0.09 0.10 0.00 0.00 179.97 180.46 3hei n ASN 34 N -3.61 4.69 -1.54 0.08 3.02 -1.26 -4.93 115.26 111.71 3hei n ASN 34 Ca -0.01 -2.43 -0.16 0.00 -0.03 0.00 0.00 54.58 51.96 3hei n ASN 34 Cb 0.43 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.96 3hei n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hei n GLU 35 N 1.14 -1.40 -0.29 3.52 1.02 -0.74 -4.82 120.64 119.07 3hei n GLU 35 Ca 0.25 0.93 0.07 0.00 -0.02 0.00 0.00 57.16 58.40 3hei n GLU 35 Cb 0.87 -5.25 0.12 0.00 -0.02 0.00 0.00 31.44 27.16 3hei n GLU 35 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hei n ASP 36 N -0.91 1.79 -4.67 1.62 5.75 -1.26 -4.92 116.55 113.96 3hei n ASP 36 Ca -0.16 -2.99 -0.42 0.00 -0.01 0.00 0.00 54.79 51.21 3hei n ASP 36 Cb 0.53 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 3hei n ASP 36 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hei s TYR 37 N -2.32 1.59 -0.01 2.11 6.04 -1.26 -4.90 117.35 118.60 3hei s TYR 37 Ca 0.28 -0.24 0.01 0.00 0.04 0.00 0.00 57.07 57.15 3hei s TYR 37 Cb 0.25 -4.17 0.01 0.00 -1.04 0.00 0.00 41.96 37.01 3hei s TYR 37 CO -0.00 -5.09 -0.02 0.99 -1.54 0.00 0.00 175.55 169.89 3hei s THR 38 N 4.02 0.20 -0.01 4.34 2.01 -1.26 -1.35 115.64 123.59 3hei s THR 38 Ca 0.84 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.80 3hei s THR 38 Cb -0.41 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 3hei s THR 38 CO 0.38 0.08 -0.08 0.27 -0.69 0.00 0.00 174.62 174.58 3hei s ILE 39 N 0.22 0.68 -0.20 1.82 -4.36 -0.21 -4.99 121.20 114.16 3hei s ILE 39 Ca -0.02 -0.34 -0.08 0.00 -0.26 0.00 0.00 60.65 59.94 3hei s ILE 39 Cb -0.04 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 43.03 3hei s ILE 39 CO -0.01 0.20 0.09 -2.28 0.24 0.00 0.00 174.94 173.19 3hei s HIS 40 N -0.02 3.29 0.16 1.37 5.65 -1.26 -0.68 115.29 123.80 3hei s HIS 40 Ca 0.01 0.13 0.03 0.00 0.25 0.00 0.00 55.06 55.48 3hei s HIS 40 Cb -0.05 -2.14 -0.05 0.00 -1.18 0.00 0.00 32.58 29.16 3hei s HIS 40 CO -0.00 0.15 -0.06 0.14 -0.65 0.00 0.00 174.74 174.31 3hei s VAL 41 N 0.54 0.99 0.07 0.89 -7.23 -0.49 -4.96 120.40 110.21 3hei s VAL 41 Ca 0.05 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3hei s VAL 41 Cb -0.12 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3hei s VAL 41 CO 0.01 -0.64 0.20 -1.58 -0.31 0.00 0.00 175.10 172.78 3hei s GLN 42 N -3.81 3.37 0.26 4.82 2.00 -1.26 -0.76 119.66 124.28 3hei s GLN 42 Ca 0.20 -0.48 -0.29 0.00 -2.00 0.00 0.00 55.36 52.78 3hei s GLN 42 Cb 0.04 -3.00 -0.14 0.00 0.80 0.00 0.00 33.01 30.71 3hei s GLN 42 CO 0.02 0.60 1.06 -0.11 -0.50 0.00 0.00 175.29 176.35 3hei n LEU 43 N 0.24 1.75 0.00 3.68 7.94 -1.26 -0.95 117.00 128.41 3hei n LEU 43 Ca -0.06 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3hei n LEU 43 Cb 0.51 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.19 3hei n LEU 43 CO 0.51 -1.36 0.00 0.59 -1.11 0.00 0.00 177.39 176.02 3hei n ASN 44 N 1.46 -0.66 -4.73 1.96 3.02 0.13 -5.01 115.26 111.42 3hei n ASN 44 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 3hei n ASN 44 Cb 0.30 -0.44 0.14 0.00 -0.61 0.00 0.00 39.78 39.17 3hei n ASN 44 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hei s ASP 45 N -2.70 3.41 0.03 6.41 1.01 -0.12 -4.59 116.67 120.11 3hei s ASP 45 Ca 0.00 1.35 0.06 0.00 0.71 0.00 0.00 52.55 54.66 3hei s ASP 45 Cb 0.00 -2.02 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 3hei s ASP 45 CO 0.00 -2.66 -0.14 -0.31 0.21 0.00 0.00 175.17 172.27 3hei s TYR 46 N -3.00 2.67 -0.18 4.23 1.51 -0.68 -0.05 117.35 121.85 3hei s TYR 46 Ca 0.63 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 56.51 3hei s TYR 46 Cb -0.17 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3hei s TYR 46 CO 0.56 0.29 -0.15 0.54 -1.11 0.00 0.00 175.55 175.68 3hei s VAL 47 N -0.94 2.52 -0.46 0.71 0.11 -0.15 -0.83 120.40 121.37 3hei s VAL 47 Ca 0.15 -0.80 -0.14 0.00 -2.93 0.00 0.00 61.98 58.27 3hei s VAL 47 Cb -0.11 -2.08 0.07 0.00 -1.53 0.00 0.00 36.38 32.73 3hei s VAL 47 CO 0.06 0.51 0.36 -1.81 -3.33 0.00 0.00 175.10 170.89 3hei s ASP 48 N 1.15 6.02 -0.25 3.54 1.01 0.11 -1.04 116.67 127.21 3hei s ASP 48 Ca 0.01 -1.35 -0.19 0.00 0.71 0.00 0.00 52.55 51.72 3hei s ASP 48 Cb -0.14 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 3hei s ASP 48 CO -0.06 -0.61 0.59 -0.63 0.21 0.00 0.00 175.17 174.67 3hei s ILE 49 N 1.59 5.02 -0.26 0.77 1.01 0.10 -0.44 121.20 128.98 3hei s ILE 49 Ca 0.04 1.05 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 3hei s ILE 49 Cb -0.24 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 3hei s ILE 49 CO 0.06 0.05 0.10 -0.63 0.00 0.00 0.00 174.94 174.52 3hei s ILE 50 N 2.39 4.45 0.69 2.92 -1.09 0.80 -0.43 121.20 130.92 3hei s ILE 50 Ca 0.25 -0.20 -0.14 0.00 -2.23 0.00 0.00 60.65 58.33 3hei s ILE 50 Cb -0.16 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 3hei s ILE 50 CO 0.09 0.28 1.11 0.00 -1.23 0.00 0.00 174.94 175.19 3hei n PRO 52 N -2.64 1.56 -3.75 0.00 -0.02 -1.25 -4.64 135.00 124.26 3hei n PRO 52 Ca 0.10 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3hei n PRO 52 Cb 0.52 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 3hei n PRO 52 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hei s HIS 53 N -1.18 -0.35 -0.01 6.00 2.46 -1.26 -4.52 115.29 116.43 3hei s HIS 53 Ca 0.60 0.83 0.01 0.00 0.47 0.00 0.00 55.06 56.97 3hei s HIS 53 Cb -0.59 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 31.99 3hei s HIS 53 CO 0.59 -0.22 -0.02 0.71 -2.47 0.00 0.00 174.74 173.33 3hei s TYR 54 N -0.07 0.26 0.31 3.88 1.51 -0.47 -5.03 117.35 117.74 3hei s TYR 54 Ca -0.02 -0.03 -0.27 0.00 -1.01 0.00 0.00 57.07 55.73 3hei s TYR 54 Cb -0.03 -0.21 -0.14 0.00 -0.11 0.00 0.00 41.96 41.47 3hei s TYR 54 CO 0.01 -0.03 1.01 0.39 -1.11 0.00 0.00 175.55 175.82 3hei n GLU 55 N 3.27 1.38 0.00 -0.62 1.02 -1.26 -4.39 120.64 120.03 3hei n GLU 55 Ca -0.16 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3hei n GLU 55 Cb 0.57 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3hei n GLU 55 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hei n ASP 56 N 1.13 0.00 0.00 1.62 9.92 -1.26 -4.28 116.55 123.68 3hei n ASP 56 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 3hei n ASP 56 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 3hei n ASP 56 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3hei n HIS 57 N 0.00 0.00 0.00 1.24 8.25 -1.26 -4.91 115.22 118.54 3hei n HIS 57 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hei n HIS 57 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hei n HIS 57 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hei n SER 58 N 0.00 0.00 -3.99 0.41 3.41 -1.26 -4.91 113.62 107.28 3hei n SER 58 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3hei n SER 58 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3hei n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hei s VAL 59 N 0.00 0.13 0.43 -3.33 0.11 -1.26 -5.10 120.40 111.38 3hei s VAL 59 Ca 0.00 -1.07 -0.26 0.00 -2.93 0.00 0.00 61.98 57.73 3hei s VAL 59 Cb 0.00 -0.52 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 3hei s VAL 59 CO 0.00 -0.59 1.43 0.00 -3.33 0.00 0.00 175.10 172.61 3hei s ALA 60 N -1.94 3.30 0.27 1.54 0.00 -1.26 -4.91 121.76 118.76 3hei s ALA 60 Ca -0.11 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3hei s ALA 60 Cb -0.06 -3.58 0.58 0.00 0.00 0.00 0.00 23.12 20.05 3hei s ALA 60 CO -0.03 -1.14 1.64 -0.44 0.00 0.00 0.00 175.76 175.80 3hei h ASP 61 N 2.48 -0.19 0.80 0.00 3.32 -1.97 -1.40 116.42 119.45 3hei h ASP 61 Ca -0.51 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3hei h ASP 61 Cb 1.26 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 3hei h ASP 61 CO 0.62 -0.17 -0.08 0.00 -1.72 0.00 0.00 179.24 177.89 3hei h ALA 62 N 1.76 1.05 -0.00 3.45 0.00 -2.05 -1.71 119.26 121.76 3hei h ALA 62 Ca 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hei h ALA 62 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hei h ALA 62 CO -0.67 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 178.66 3hei n ALA 63 N -2.15 2.43 -2.70 0.00 0.00 -0.53 -4.81 120.51 112.74 3hei n ALA 63 Ca -0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 3hei n ALA 63 Cb 0.30 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 3hei n ALA 63 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hei s MET 64 N -2.85 4.45 0.44 0.00 1.00 -0.65 -5.01 119.30 116.69 3hei s MET 64 Ca 0.19 1.12 -0.22 0.00 0.00 0.00 0.00 55.69 56.78 3hei s MET 64 Cb 0.19 -3.48 -0.08 0.00 0.00 0.00 0.00 34.83 31.46 3hei s MET 64 CO 0.51 -0.08 1.07 -1.21 0.00 0.00 0.00 175.02 175.32 3hei s GLU 65 N 1.22 3.93 -0.02 2.03 2.02 -1.26 -4.98 118.70 121.65 3hei s GLU 65 Ca 0.43 1.53 -0.03 0.00 0.02 0.00 0.00 54.97 56.92 3hei s GLU 65 Cb -0.19 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3hei s GLU 65 CO 0.20 -0.35 0.07 -0.65 0.02 0.00 0.00 175.26 174.56 3hei s GLN 66 N -2.79 0.22 0.02 1.61 -0.21 -1.26 -4.68 119.66 112.57 3hei s GLN 66 Ca 0.62 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.88 3hei s GLN 66 Cb -0.22 0.09 -0.02 0.00 1.00 0.00 0.00 33.01 33.86 3hei s GLN 66 CO 0.27 -0.04 -0.03 0.71 -2.12 0.00 0.00 175.29 174.07 3hei s TYR 67 N -0.53 0.31 -0.14 0.91 2.02 -0.90 -1.45 117.35 117.58 3hei s TYR 67 Ca -0.06 -0.56 -0.13 0.00 -0.37 0.00 0.00 57.07 55.95 3hei s TYR 67 Cb -0.04 -0.22 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 3hei s TYR 67 CO 0.00 -0.19 0.28 0.42 -1.57 0.00 0.00 175.55 174.49 3hei s ILE 68 N -1.60 5.30 -0.12 2.71 1.01 0.65 0.53 121.20 129.69 3hei s ILE 68 Ca -0.14 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.98 3hei s ILE 68 Cb -0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3hei s ILE 68 CO -0.01 0.43 0.07 -0.76 0.00 0.00 0.00 174.94 174.67 3hei s LEU 69 N 0.16 3.94 0.08 2.97 1.43 -0.22 -1.14 118.68 125.90 3hei s LEU 69 Ca 0.16 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3hei s LEU 69 Cb -0.13 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3hei s LEU 69 CO 0.04 0.34 -0.18 -0.31 0.23 0.00 0.00 176.35 176.48 3hei s TYR 70 N -0.64 1.51 -0.21 0.29 1.51 0.25 -0.09 117.35 119.97 3hei s TYR 70 Ca 0.11 -0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3hei s TYR 70 Cb -0.12 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3hei s TYR 70 CO 0.02 0.13 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.37 3hei s LEU 71 N -1.79 2.85 0.19 -1.29 2.96 -0.53 -1.59 118.68 119.49 3hei s LEU 71 Ca 0.02 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3hei s LEU 71 Cb -0.10 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3hei s LEU 71 CO 0.03 -0.00 0.02 0.68 -1.32 0.00 0.00 176.35 175.76 3hei s VAL 72 N 1.36 0.67 0.73 1.68 -7.23 0.21 -4.78 120.40 113.05 3hei s VAL 72 Ca 0.04 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 3hei s VAL 72 Cb -0.14 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.61 3hei s VAL 72 CO -0.03 -0.37 1.09 -1.61 -0.31 0.00 0.00 175.10 173.87 3hei s GLU 73 N -3.94 2.39 0.22 4.82 0.41 -1.26 -3.75 118.70 117.59 3hei s GLU 73 Ca 0.27 0.13 -0.08 0.00 -0.41 0.00 0.00 54.97 54.88 3hei s GLU 73 Cb 0.06 -2.05 0.34 0.00 -1.78 0.00 0.00 34.13 30.70 3hei s GLU 73 CO 0.06 -1.25 1.72 1.25 -0.49 0.00 0.00 175.26 176.55 3hei h HIS 74 N -0.74 0.34 -0.87 1.61 2.76 -1.96 -0.96 115.15 115.32 3hei h HIS 74 Ca -0.45 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.78 3hei h HIS 74 Cb 1.30 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 3hei h HIS 74 CO 0.39 0.03 0.56 0.93 -1.30 0.00 0.00 177.93 178.54 3hei h GLU 75 N 0.35 1.07 -0.58 5.26 3.07 -1.99 -0.03 114.58 121.73 3hei h GLU 75 Ca 0.34 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.05 3hei h GLU 75 Cb 0.50 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3hei h GLU 75 CO -0.38 0.71 -0.00 0.93 -1.40 0.00 0.00 179.01 178.86 3hei h GLU 76 N 1.10 1.00 -0.78 2.33 3.07 -1.58 -1.45 114.58 118.27 3hei h GLU 76 Ca 0.34 -0.31 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 3hei h GLU 76 Cb -0.01 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.76 3hei h GLU 76 CO -0.11 0.98 0.39 -0.92 -1.40 0.00 0.00 179.01 177.95 3hei h TYR 77 N 0.92 1.10 -0.33 4.33 3.20 -0.44 0.15 116.97 125.90 3hei h TYR 77 Ca 0.17 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 3hei h TYR 77 Cb 0.53 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3hei h TYR 77 CO 0.04 0.79 -0.35 1.96 -1.64 0.00 0.00 178.16 178.95 3hei h GLN 78 N 1.10 0.74 0.00 1.82 1.08 -0.64 -2.12 115.11 117.10 3hei h GLN 78 Ca 0.27 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3hei h GLN 78 Cb 0.09 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3hei h GLN 78 CO -0.04 0.98 0.00 1.28 -0.95 0.00 0.00 178.83 180.10 3hei n LEU 79 N -4.06 0.00 -4.07 1.46 4.77 -0.58 -4.95 117.00 109.57 3hei n LEU 79 Ca -0.01 0.44 -0.30 0.00 -0.03 0.00 0.00 56.01 56.11 3hei n LEU 79 Cb 0.50 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3hei n LEU 79 CO 0.46 -0.03 -0.16 0.00 -1.33 0.00 0.00 177.39 176.34 3hei s GLN 81 N -6.74 0.28 0.61 0.00 0.74 -0.73 -5.02 119.66 108.80 3hei s GLN 81 Ca 0.31 0.61 -0.15 0.00 0.05 0.00 0.00 55.36 56.17 3hei s GLN 81 Cb -0.17 -0.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 3hei s GLN 81 CO 0.91 -0.15 1.06 -1.25 -0.55 0.00 0.00 175.29 175.31 3hei s PRO 82 N 1.23 3.22 0.06 1.67 0.04 -1.26 -4.54 135.00 135.42 3hei s PRO 82 Ca -0.09 1.19 -0.07 0.00 0.04 0.00 0.00 61.00 62.08 3hei s PRO 82 Cb -0.09 -2.02 -0.30 0.00 0.04 0.00 0.00 34.50 32.13 3hei s PRO 82 CO -0.09 -0.89 1.07 0.37 0.04 0.00 0.00 177.00 177.50 3hei h GLN 83 N 0.26 0.32 -2.78 4.56 4.15 -1.99 -3.48 115.11 116.16 3hei h GLN 83 Ca -0.46 -0.56 0.09 0.00 0.77 0.00 0.00 58.65 58.49 3hei h GLN 83 Cb 1.22 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 29.07 3hei h GLN 83 CO 0.57 1.25 0.33 -1.54 -1.93 0.00 0.00 178.83 177.51 3hei s SER 84 N -7.22 -0.18 0.45 -0.69 1.04 -1.26 -5.02 113.70 100.82 3hei s SER 84 Ca -0.06 -0.63 0.16 0.00 0.48 0.00 0.00 55.95 55.90 3hei s SER 84 Cb 0.06 0.66 1.11 0.00 0.10 0.00 0.00 66.02 67.96 3hei s SER 84 CO 0.89 -1.25 1.98 0.50 0.98 0.00 0.00 173.24 176.34 3hei h LYS 85 N 2.00 0.31 0.00 4.02 3.64 -2.01 -2.78 116.57 121.74 3hei h LYS 85 Ca -0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3hei h LYS 85 Cb 1.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hei h LYS 85 CO 0.27 0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 177.40 3hei n ASP 86 N -4.46 0.47 -0.07 4.20 10.43 -1.26 -1.80 116.55 124.06 3hei n ASP 86 Ca 0.10 0.69 0.14 0.00 2.57 0.00 0.00 54.79 58.29 3hei n ASP 86 Cb 0.43 -0.76 0.68 0.00 1.84 0.00 0.00 41.12 43.31 3hei n ASP 86 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hei n GLN 87 N -2.10 0.62 -1.69 -1.24 6.02 -1.05 -4.89 117.38 113.05 3hei n GLN 87 Ca -0.00 -0.14 -0.44 0.00 -0.01 0.00 0.00 57.00 56.40 3hei n GLN 87 Cb 0.08 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 3hei n GLN 87 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hei n VAL 88 N -1.07 0.09 -0.12 5.09 0.31 -0.75 -1.45 118.33 120.43 3hei n VAL 88 Ca 0.15 -0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 64.27 3hei n VAL 88 Cb 0.26 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 3hei n VAL 88 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hei n ARG 89 N 3.51 0.56 -3.52 5.55 3.00 0.87 -4.82 116.66 121.81 3hei n ARG 89 Ca 0.16 0.16 -0.07 0.00 -0.00 0.00 0.00 57.85 58.09 3hei n ARG 89 Cb 0.32 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.32 3hei n ARG 89 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3hei s TRP 90 N -2.46 -0.29 -0.13 -0.14 -0.11 -1.10 -5.03 118.94 109.69 3hei s TRP 90 Ca -0.32 0.18 0.01 0.00 1.22 0.00 0.00 56.10 57.19 3hei s TRP 90 Cb 0.09 0.53 -0.01 0.00 -1.50 0.00 0.00 33.47 32.59 3hei s TRP 90 CO 0.50 -0.46 -0.15 -0.65 -4.62 0.00 0.00 176.95 171.57 3hei s GLN 91 N -2.95 3.30 -1.32 5.86 -0.21 -1.26 -1.05 119.66 122.03 3hei s GLN 91 Ca 0.06 -0.73 -0.11 0.00 0.02 0.00 0.00 55.36 54.60 3hei s GLN 91 Cb -0.01 -2.57 0.14 0.00 1.00 0.00 0.00 33.01 31.57 3hei s GLN 91 CO -0.08 0.19 1.92 0.00 -2.12 0.00 0.00 175.29 175.19 3hei n ASN 93 N 4.67 1.80 -3.22 0.00 6.94 -1.26 -2.11 115.26 122.08 3hei n ASN 93 Ca 0.43 -3.80 -0.24 0.00 -0.02 0.00 0.00 54.58 50.95 3hei n ASN 93 Cb 0.38 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 37.22 3hei n ASN 93 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hei n ARG 94 N -1.16 1.17 0.23 -3.83 1.74 -1.26 -4.97 116.66 108.58 3hei n ARG 94 Ca 0.19 -3.57 0.11 0.00 -0.77 0.00 0.00 57.85 53.81 3hei n ARG 94 Cb 0.68 -1.51 0.50 0.00 -1.02 0.00 0.00 32.46 31.11 3hei n ARG 94 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hei h PRO 95 N 3.84 0.00 -0.34 5.56 0.13 -1.85 -2.59 132.00 136.76 3hei h PRO 95 Ca 0.10 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.01 3hei h PRO 95 Cb 0.84 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.82 3hei h PRO 95 CO 0.55 0.18 -0.40 -1.13 -0.23 0.00 0.00 178.00 176.97 3hei n SER 96 N -3.34 3.01 -4.59 1.44 3.41 -1.26 -1.37 113.62 110.91 3hei n SER 96 Ca 0.00 -3.83 -0.49 0.00 -0.26 0.00 0.00 58.87 54.29 3hei n SER 96 Cb 0.41 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 3hei n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hei n ALA 97 N -1.01 -0.63 -0.18 7.33 0.00 -0.98 -4.70 120.51 120.35 3hei n ALA 97 Ca 0.32 0.48 -0.04 0.00 0.00 0.00 0.00 53.44 54.19 3hei n ALA 97 Cb 0.86 -2.07 0.14 0.00 0.00 0.00 0.00 19.45 18.39 3hei n ALA 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hei h LYS 98 N 3.87 0.95 0.00 0.00 1.57 -1.96 -3.01 116.57 117.99 3hei h LYS 98 Ca -0.45 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3hei h LYS 98 Cb 1.33 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3hei h LYS 98 CO 0.73 0.83 -0.21 -2.39 -0.57 0.00 0.00 179.45 177.84 3hei n HIS 99 N -4.27 0.33 0.00 -1.35 1.44 -1.26 -5.02 115.22 105.10 3hei n HIS 99 Ca 0.05 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 3hei n HIS 99 Cb 0.23 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 29.75 3hei n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hei n GLY 100 N 1.42 1.13 3.74 -1.39 0.00 -1.14 -5.11 105.19 103.84 3hei n GLY 100 Ca 0.06 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3hei n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hei n PRO 101 N -1.85 2.29 -1.79 1.61 -0.02 -1.26 -4.52 135.00 129.46 3hei n PRO 101 Ca 0.00 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 3hei n PRO 101 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 3hei n PRO 101 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hei s GLU 102 N -2.16 4.00 -0.03 -0.52 2.56 -1.26 -4.89 118.70 116.40 3hei s GLU 102 Ca 0.57 2.55 -0.01 0.00 0.00 0.00 0.00 54.97 58.08 3hei s GLU 102 Cb -0.50 -2.89 0.03 0.00 2.00 0.00 0.00 34.13 32.78 3hei s GLU 102 CO 0.61 -0.62 0.06 0.21 -0.56 0.00 0.00 175.26 174.96 3hei s LYS 103 N -2.19 -0.00 -0.36 4.30 2.20 -1.26 -0.60 119.74 121.83 3hei s LYS 103 Ca 0.55 0.22 -0.13 0.00 -0.36 0.00 0.00 55.97 56.25 3hei s LYS 103 Cb -0.46 -0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 35.65 3hei s LYS 103 CO 0.62 -0.15 0.25 -1.17 -0.36 0.00 0.00 175.35 174.53 3hei s LEU 104 N 1.01 4.68 -0.37 5.43 2.96 0.43 -4.96 118.68 127.84 3hei s LEU 104 Ca -0.08 -0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 3hei s LEU 104 Cb -0.11 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.49 3hei s LEU 104 CO -0.03 -0.31 0.20 -0.44 -1.32 0.00 0.00 176.35 174.45 3hei s SER 105 N 1.69 5.67 -0.29 3.68 0.01 -1.26 -0.73 113.70 122.46 3hei s SER 105 Ca 0.05 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.13 3hei s SER 105 Cb -0.18 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 3hei s SER 105 CO 0.10 -0.40 0.17 -0.70 0.41 0.00 0.00 173.24 172.82 3hei s GLU 106 N 1.52 3.67 0.02 12.44 2.56 -0.20 -4.92 118.70 133.78 3hei s GLU 106 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 54.97 54.25 3hei s GLU 106 Cb -0.20 -3.60 -0.05 0.00 2.00 0.00 0.00 34.13 32.28 3hei s GLU 106 CO 0.06 -0.28 0.71 0.21 -0.56 0.00 0.00 175.26 175.40 3hei s LYS 107 N 1.69 4.44 -1.38 4.30 2.20 -1.26 -0.97 119.74 128.76 3hei s LYS 107 Ca 0.06 0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 56.54 3hei s LYS 107 Cb -0.16 -3.37 0.09 0.00 -1.51 0.00 0.00 37.83 32.87 3hei s LYS 107 CO 0.08 0.27 2.28 1.19 -0.36 0.00 0.00 175.35 178.81 3hei n PHE 108 N 2.94 2.83 -3.36 4.03 3.01 0.93 -4.94 117.46 122.90 3hei n PHE 108 Ca -0.03 -2.88 -0.35 0.00 1.01 0.00 0.00 57.45 55.20 3hei n PHE 108 Cb 0.51 -2.10 -0.06 0.00 -0.01 0.00 0.00 39.48 37.82 3hei n PHE 108 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3hei s GLN 109 N 0.63 3.95 0.20 -1.08 -2.07 -1.26 0.17 119.66 120.19 3hei s GLN 109 Ca 0.50 0.46 -0.02 0.00 -1.82 0.00 0.00 55.36 54.48 3hei s GLN 109 Cb 0.15 -2.86 0.16 0.00 -1.09 0.00 0.00 33.01 29.36 3hei s GLN 109 CO -0.05 0.44 1.53 -0.09 -1.32 0.00 0.00 175.29 175.80 3hei h ARG 110 N 3.32 0.53 -5.25 9.60 9.65 -1.92 -0.69 114.38 129.61 3hei h ARG 110 Ca -0.48 -0.31 -0.40 0.00 -1.10 0.00 0.00 59.98 57.68 3hei h ARG 110 Cb 1.19 0.03 -0.22 0.00 -1.39 0.00 0.00 29.97 29.58 3hei h ARG 110 CO 0.66 0.91 -0.78 -0.06 2.80 0.00 0.00 179.97 183.51 3hei s PHE 111 N -4.04 1.15 0.04 2.20 0.08 -1.26 -4.03 117.98 112.11 3hei s PHE 111 Ca -0.07 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3hei s PHE 111 Cb 0.12 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.89 3hei s PHE 111 CO 0.83 0.04 -0.09 -0.08 -0.10 0.00 0.00 175.22 175.82 3hei s THR 112 N -1.24 0.69 -1.91 0.64 -1.32 -1.26 -5.02 115.64 106.22 3hei s THR 112 Ca -0.03 -0.98 0.29 0.00 -1.21 0.00 0.00 61.69 59.77 3hei s THR 112 Cb -0.10 -0.70 0.56 0.00 -1.51 0.00 0.00 72.50 70.75 3hei s THR 112 CO 0.02 -0.23 1.90 -0.81 -2.21 0.00 0.00 174.62 173.29 3hei n PRO 113 N 1.72 0.97 -3.79 7.08 -0.04 -1.26 -4.81 135.00 134.88 3hei n PRO 113 Ca -0.20 -0.36 -0.37 0.00 -0.04 0.00 0.00 63.50 62.53 3hei n PRO 113 Cb 0.55 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 3hei n PRO 113 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3hei s PHE 114 N -2.27 3.29 0.75 0.54 5.36 -1.26 -5.08 117.98 119.30 3hei s PHE 114 Ca 0.35 -1.62 -0.12 0.00 -0.96 0.00 0.00 56.93 54.57 3hei s PHE 114 Cb 0.21 -2.34 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 3hei s PHE 114 CO 0.42 -0.77 1.10 0.95 -1.46 0.00 0.00 175.22 175.46 3hei s THR 115 N 1.34 3.19 0.00 0.12 -4.23 -1.26 -1.59 115.64 113.22 3hei s THR 115 Ca -0.02 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3hei s THR 115 Cb -0.20 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3hei s THR 115 CO 0.01 -0.45 0.00 0.18 -0.54 0.00 0.00 174.62 173.82 3hei n LEU 116 N -3.22 0.00 -4.96 4.79 4.77 -1.26 -5.00 117.00 112.13 3hei n LEU 116 Ca 0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 3hei n LEU 116 Cb 0.53 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.72 3hei n LEU 116 CO 0.51 0.00 0.62 -0.83 -1.33 0.00 0.00 177.39 176.36 3hei s GLY 117 N -0.79 1.75 0.03 -0.72 0.00 -0.62 -5.10 107.32 101.87 3hei s GLY 117 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.43 3hei s GLY 117 CO 0.00 -0.79 -0.02 1.25 0.00 0.00 0.00 173.10 173.54 3hei s LYS 118 N -5.29 2.62 -0.09 2.90 2.47 -1.26 -5.01 119.74 116.07 3hei s LYS 118 Ca 0.65 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 54.30 3hei s LYS 118 Cb -0.07 -2.57 -0.03 0.00 -1.46 0.00 0.00 37.83 33.69 3hei s LYS 118 CO 0.46 0.59 0.02 -1.21 0.16 0.00 0.00 175.35 175.36 3hei s GLU 119 N -1.80 3.08 -0.01 4.03 2.02 -1.26 -4.80 118.70 119.96 3hei s GLU 119 Ca 0.21 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.89 3hei s GLU 119 Cb -0.11 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3hei s GLU 119 CO 0.12 0.69 -0.19 -0.06 0.02 0.00 0.00 175.26 175.84 3hei s PHE 120 N -0.84 2.54 -0.02 1.61 0.40 -0.27 -5.01 117.98 116.40 3hei s PHE 120 Ca 0.13 -0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 3hei s PHE 120 Cb -0.11 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 3hei s PHE 120 CO 0.02 0.14 -0.19 0.15 0.70 0.00 0.00 175.22 176.05 3hei s LYS 121 N -0.93 1.60 0.14 0.44 1.02 -1.26 -3.59 119.74 117.16 3hei s LYS 121 Ca 0.12 -0.68 -0.34 0.00 0.02 0.00 0.00 55.97 55.09 3hei s LYS 121 Cb -0.10 -1.52 -0.16 0.00 -0.52 0.00 0.00 37.83 35.53 3hei s LYS 121 CO 0.02 0.39 1.30 0.39 -0.92 0.00 0.00 175.35 176.53 3hei n GLU 122 N 2.68 1.34 -0.81 1.68 1.02 -1.26 -2.33 120.64 122.95 3hei n GLU 122 Ca -0.15 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3hei n GLU 122 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3hei n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hei n GLY 123 N 2.38 0.69 3.64 0.62 0.00 0.10 -4.78 105.19 107.83 3hei n GLY 123 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3hei n GLY 123 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hei s HIS 124 N -2.48 2.71 0.13 1.61 3.76 -0.99 -4.92 115.29 115.11 3hei s HIS 124 Ca 0.00 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 54.80 3hei s HIS 124 Cb 0.00 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 3hei s HIS 124 CO 0.00 0.59 -0.20 -1.12 -0.85 0.00 0.00 174.74 173.16 3hei s SER 125 N -3.44 3.75 0.08 1.40 0.01 -1.26 -0.42 113.70 113.83 3hei s SER 125 Ca 0.30 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.97 3hei s SER 125 Cb -0.07 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.66 3hei s SER 125 CO 0.19 0.17 -0.12 -0.31 0.41 0.00 0.00 173.24 173.58 3hei s TYR 126 N -1.21 1.11 -0.05 2.43 2.02 0.40 -4.98 117.35 117.08 3hei s TYR 126 Ca 0.18 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 3hei s TYR 126 Cb -0.10 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3hei s TYR 126 CO 0.10 0.03 -0.06 0.71 -1.57 0.00 0.00 175.55 174.75 3hei s TYR 127 N -1.79 0.87 0.06 2.71 1.51 -1.25 -0.38 117.35 119.09 3hei s TYR 127 Ca 0.01 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.86 3hei s TYR 127 Cb -0.07 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3hei s TYR 127 CO 0.01 -0.20 -0.11 0.71 -1.11 0.00 0.00 175.55 174.85 3hei s TYR 128 N 0.83 2.73 0.07 2.71 2.02 -0.34 -0.61 117.35 124.76 3hei s TYR 128 Ca -0.12 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3hei s TYR 128 Cb -0.15 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3hei s TYR 128 CO 0.01 0.37 -0.06 0.96 -1.57 0.00 0.00 175.55 175.26 3hei s ILE 129 N -1.08 0.53 0.36 2.71 -4.36 -0.62 -1.00 121.20 117.74 3hei s ILE 129 Ca 0.19 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.94 3hei s ILE 129 Cb -0.11 -1.37 -0.07 0.00 1.25 0.00 0.00 42.46 42.16 3hei s ILE 129 CO 0.10 -0.79 0.02 -0.94 0.24 0.00 0.00 174.94 173.57 3hei s SER 130 N -2.66 3.20 -0.01 4.36 1.04 -0.79 -0.59 113.70 118.26 3hei s SER 130 Ca 0.05 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.14 3hei s SER 130 Cb 0.02 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.89 3hei s SER 130 CO -0.05 -0.49 -0.03 -0.54 0.98 0.00 0.00 173.24 173.12 3hei s LYS 131 N -3.78 0.26 0.26 4.02 -0.14 -0.29 -4.66 119.74 115.42 3hei s LYS 131 Ca 0.35 -0.08 -0.29 0.00 -1.36 0.00 0.00 55.97 54.58 3hei s LYS 131 Cb 0.09 -0.28 -0.09 0.00 -1.68 0.00 0.00 37.83 35.87 3hei s LYS 131 CO 0.16 0.04 1.19 -1.25 -0.76 0.00 0.00 175.35 174.73 3hei s PRO 132 N 0.09 4.52 0.08 -1.68 0.04 -1.26 -0.25 135.00 136.54 3hei s PRO 132 Ca -0.01 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 3hei s PRO 132 Cb -0.03 -3.17 -0.15 0.00 0.04 0.00 0.00 34.50 31.19 3hei s PRO 132 CO -0.00 0.01 1.31 0.82 0.04 0.00 0.00 177.00 179.18 3hei h ILE 133 N 3.28 1.31 0.00 0.56 2.04 -1.58 -3.43 117.51 119.70 3hei h ILE 133 Ca -0.47 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 63.58 3hei h ILE 133 Cb 1.22 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3hei h ILE 133 CO 0.69 0.57 -0.49 1.41 0.00 0.00 0.00 178.15 180.33 3hei n HIS 134 N -4.10 0.00 -1.84 1.37 8.25 -1.26 -5.08 115.22 112.57 3hei n HIS 134 Ca -0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 3hei n HIS 134 Cb 0.64 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 3hei n HIS 134 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hei s GLN 135 N -1.19 3.37 0.06 -0.41 -0.21 -1.26 -5.03 119.66 115.00 3hei s GLN 135 Ca 0.00 0.71 -0.30 0.00 0.02 0.00 0.00 55.36 55.79 3hei s GLN 135 Cb 0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 3hei s GLN 135 CO 0.00 -0.73 1.12 -1.58 -2.12 0.00 0.00 175.29 171.98 3hei s HIS 136 N -3.20 3.53 -0.45 0.91 5.65 -1.26 -4.70 115.29 115.77 3hei s HIS 136 Ca 0.56 1.47 -0.29 0.00 0.25 0.00 0.00 55.06 57.05 3hei s HIS 136 Cb -0.11 -3.31 0.02 0.00 -1.18 0.00 0.00 32.58 28.00 3hei s HIS 136 CO 0.54 -0.80 1.28 -2.00 -0.65 0.00 0.00 174.74 173.11 3hei s GLU 137 N 0.79 3.64 0.00 2.88 2.12 -1.26 -4.81 118.70 122.06 3hei s GLU 137 Ca 0.55 0.74 0.13 0.00 0.36 0.00 0.00 54.97 56.75 3hei s GLU 137 Cb -0.27 -3.97 0.28 0.00 0.26 0.00 0.00 34.13 30.43 3hei s GLU 137 CO 0.30 -1.49 1.18 -0.40 -0.54 0.00 0.00 175.26 174.31 3hei n ASP 138 N 8.37 2.78 -3.60 -1.70 5.75 -1.26 -4.98 116.55 121.90 3hei n ASP 138 Ca 0.14 -1.86 -0.10 0.00 -0.01 0.00 0.00 54.79 52.96 3hei n ASP 138 Cb 0.49 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 3hei n ASP 138 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3hei s ARG 139 N -1.02 0.54 -0.14 0.11 3.52 -1.26 -5.15 118.95 115.54 3hei s ARG 139 Ca 0.23 0.32 -0.24 0.00 -0.13 0.00 0.00 55.73 55.92 3hei s ARG 139 Cb 0.13 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 3hei s ARG 139 CO 0.18 -0.13 0.74 0.00 -0.81 0.00 0.00 175.30 175.28 3hei s LEU 141 N 1.60 3.76 0.26 0.00 1.43 -1.26 -4.79 118.68 119.68 3hei s LEU 141 Ca 0.36 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3hei s LEU 141 Cb -0.17 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 3hei s LEU 141 CO 0.14 -0.12 0.47 0.00 0.23 0.00 0.00 176.35 177.07 3hei s ARG 142 N 1.59 1.59 -0.17 1.70 1.70 -1.26 -1.88 118.95 122.22 3hei s ARG 142 Ca 0.05 -1.34 -0.10 0.00 -0.47 0.00 0.00 55.73 53.87 3hei s ARG 142 Cb -0.16 0.46 0.06 0.00 -0.57 0.00 0.00 34.95 34.74 3hei s ARG 142 CO 0.04 -0.66 0.42 -1.17 -1.08 0.00 0.00 175.30 172.85 3hei s LEU 143 N -3.05 -0.07 -0.15 -1.89 2.96 -0.17 -4.53 118.68 111.78 3hei s LEU 143 Ca 0.24 0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 55.02 3hei s LEU 143 Cb -0.00 1.37 -0.03 0.00 0.50 0.00 0.00 46.19 48.03 3hei s LEU 143 CO 0.11 -0.19 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.16 3hei s LYS 144 N 1.32 3.59 -0.18 1.98 2.20 -0.46 -1.20 119.74 126.99 3hei s LYS 144 Ca -0.09 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3hei s LYS 144 Cb -0.08 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3hei s LYS 144 CO -0.12 0.30 -0.18 0.08 -0.36 0.00 0.00 175.35 175.06 3hei s VAL 145 N 0.22 2.22 -0.16 4.02 1.01 0.49 -1.05 120.40 127.15 3hei s VAL 145 Ca -0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3hei s VAL 145 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hei s VAL 145 CO 0.03 0.53 -0.04 -0.89 0.00 0.00 0.00 175.10 174.72 3hei s THR 146 N 1.30 3.79 -0.20 3.92 2.01 0.15 -0.45 115.64 126.15 3hei s THR 146 Ca 0.05 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 3hei s THR 146 Cb -0.13 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 3hei s THR 146 CO -0.12 0.49 0.54 -0.69 -0.69 0.00 0.00 174.62 174.15 3hei s VAL 147 N 0.47 5.09 0.61 3.82 1.01 0.45 -1.39 120.40 130.45 3hei s VAL 147 Ca -0.04 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 3hei s VAL 147 Cb -0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hei s VAL 147 CO 0.03 0.16 1.22 -1.59 0.00 0.00 0.00 175.10 174.92 3hei s LYS 148 N 1.72 2.85 0.00 2.72 -2.85 0.06 0.02 119.74 124.27 3hei s LYS 148 Ca 0.25 1.86 0.25 0.00 -1.00 0.00 0.00 55.97 57.33 3hei s LYS 148 Cb -0.15 -1.91 1.50 0.00 -2.06 0.00 0.00 37.83 35.20 3hei s LYS 148 CO 0.10 -1.31 1.86 -0.89 0.10 0.00 0.00 175.35 175.21