#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 0.00 -4.30 0.00 10.43 -1.26 -4.96 116.55 116.45 3hei n ASP 19 Ca 0.00 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.05 3hei n ASP 19 Cb 0.00 0.01 -0.16 0.00 1.84 0.00 0.00 41.12 42.81 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 -1.12 2.12 -0.18 -1.24 0.52 -1.26 -0.97 118.95 116.81 3hei s ARG 20 Ca 0.00 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 3hei s ARG 20 Cb 0.00 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.47 3hei s ARG 20 CO 0.00 0.55 -0.15 -1.01 0.02 0.00 0.00 175.30 174.71 3hei s HIS 21 N -0.58 2.56 -0.15 -0.53 3.76 0.73 -4.95 115.29 116.12 3hei s HIS 21 Ca 0.09 -1.58 -0.19 0.00 -0.15 0.00 0.00 55.06 53.23 3hei s HIS 21 Cb -0.10 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 3hei s HIS 21 CO -0.01 -0.76 0.54 0.99 -0.85 0.00 0.00 174.74 174.65 3hei s THR 22 N 1.36 5.12 -0.22 1.30 2.01 -1.26 -0.75 115.64 123.19 3hei s THR 22 Ca 0.02 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.08 3hei s THR 22 Cb -0.15 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.54 3hei s THR 22 CO -0.10 0.24 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.24 3hei s VAL 23 N 1.18 2.03 -0.63 3.82 1.01 -0.28 -4.98 120.40 122.55 3hei s VAL 23 Ca 0.27 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 3hei s VAL 23 Cb -0.16 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.24 3hei s VAL 23 CO 0.11 0.18 0.95 -0.36 0.00 0.00 0.00 175.10 175.97 3hei s PHE 24 N 1.21 2.71 -1.10 5.22 0.40 -1.26 0.25 117.98 125.42 3hei s PHE 24 Ca -0.03 -0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 3hei s PHE 24 Cb -0.17 -4.22 0.10 0.00 0.51 0.00 0.00 43.02 39.24 3hei s PHE 24 CO -0.08 -1.57 1.43 -0.46 0.70 0.00 0.00 175.22 175.24 3hei s TRP 25 N 3.98 2.92 0.12 0.36 -0.11 -0.58 -4.79 118.94 120.85 3hei s TRP 25 Ca 0.23 -1.40 -0.14 0.00 1.22 0.00 0.00 56.10 56.01 3hei s TRP 25 Cb -0.16 -4.54 0.03 0.00 -1.50 0.00 0.00 33.47 27.30 3hei s TRP 25 CO 0.12 -1.70 0.36 0.54 -4.62 0.00 0.00 176.95 171.65 3hei s ASN 26 N 4.07 -0.15 0.00 5.86 2.20 -1.26 -3.77 114.94 121.88 3hei s ASN 26 Ca 0.44 -0.42 0.27 0.00 -0.94 0.00 0.00 52.86 52.21 3hei s ASN 26 Cb -0.01 0.45 1.28 0.00 -2.00 0.00 0.00 41.25 40.97 3hei s ASN 26 CO -0.04 -0.84 1.91 -1.54 -2.94 0.00 0.00 177.10 173.65 3hei n SER 27 N -0.20 0.00 -0.95 3.54 3.41 -1.26 -2.67 113.62 115.49 3hei n SER 27 Ca -0.15 0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 3hei n SER 27 Cb 0.63 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.35 3hei n SER 27 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hei n SER 28 N -1.38 3.05 -4.63 4.04 3.41 -1.26 -4.86 113.62 112.00 3hei n SER 28 Ca 0.10 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.37 3hei n SER 28 Cb 0.26 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 3hei n SER 28 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hei s ASN 29 N -1.54 6.63 0.21 4.04 3.84 -1.09 -4.91 114.94 122.12 3hei s ASN 29 Ca 0.30 1.15 0.19 0.00 0.21 0.00 0.00 52.86 54.72 3hei s ASN 29 Cb 0.19 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 39.23 3hei s ASN 29 CO 0.27 -1.13 1.59 -2.65 -2.79 0.00 0.00 177.10 172.40 3hei n PRO 30 N 7.42 0.13 0.30 0.43 -0.02 -1.26 -2.43 135.00 139.56 3hei n PRO 30 Ca 0.15 0.46 0.20 0.00 -2.02 0.00 0.00 63.50 62.29 3hei n PRO 30 Cb 0.47 -1.80 0.98 0.00 -0.02 0.00 0.00 33.50 33.13 3hei n PRO 30 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hei h LYS 31 N 0.00 0.00 -0.02 -0.52 1.57 -1.96 -1.62 116.57 114.02 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hei h LYS 31 CO 0.00 0.00 -0.15 1.19 -0.57 0.00 0.00 179.45 179.92 3hei n PHE 32 N -2.96 0.00 0.02 -1.35 3.01 -1.02 -3.96 117.46 111.20 3hei n PHE 32 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 3hei n PHE 32 Cb 0.14 -0.03 0.24 0.00 -0.01 0.00 0.00 39.48 39.82 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 2.56 0.46 -0.59 -1.08 0.11 -1.46 -2.70 114.38 111.67 3hei h ARG 33 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3hei h ARG 33 Cb 0.65 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.69 3hei h ARG 33 CO 0.00 0.63 0.00 0.09 0.10 0.00 0.00 179.97 180.79 3hei n ASN 34 N -4.17 5.27 -1.51 0.08 3.02 -1.26 -4.93 115.26 111.76 3hei n ASN 34 Ca 0.00 -2.74 -0.19 0.00 -0.03 0.00 0.00 54.58 51.62 3hei n ASN 34 Cb 0.35 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.82 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 0.77 -1.32 -0.28 3.52 1.02 -1.02 -4.84 120.64 118.49 3hei n GLU 35 Ca 0.27 1.13 0.05 0.00 -0.02 0.00 0.00 57.16 58.59 3hei n GLU 35 Cb 1.06 -5.45 0.08 0.00 -0.02 0.00 0.00 31.44 27.11 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 -1.08 1.26 -4.67 1.62 5.75 -1.26 -4.90 116.55 113.27 3hei n ASP 36 Ca -0.19 -2.59 -0.49 0.00 -0.01 0.00 0.00 54.79 51.51 3hei n ASP 36 Cb 0.62 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 3hei n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hei n TYR 37 N -0.77 2.25 -4.21 2.11 -0.00 -1.25 -4.91 117.16 110.37 3hei n TYR 37 Ca 0.09 0.07 -0.17 0.00 -0.00 0.00 0.00 57.90 57.88 3hei n TYR 37 Cb 0.67 -2.64 -0.15 0.00 -0.00 0.00 0.00 39.34 37.22 3hei n TYR 37 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 3hei s THR 38 N 4.38 0.51 0.03 2.97 2.01 -1.26 -1.27 115.64 123.01 3hei s THR 38 Ca 0.95 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.75 3hei s THR 38 Cb -0.74 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 3hei s THR 38 CO 0.53 0.16 -0.12 0.27 -0.69 0.00 0.00 174.62 174.77 3hei s ILE 39 N 0.12 0.96 -0.22 1.82 -4.36 0.01 -4.99 121.20 114.53 3hei s ILE 39 Ca -0.01 -0.84 -0.10 0.00 -0.26 0.00 0.00 60.65 59.44 3hei s ILE 39 Cb -0.06 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.74 3hei s ILE 39 CO -0.00 0.03 0.14 -2.28 0.24 0.00 0.00 174.94 173.07 3hei s HIS 40 N -0.73 3.35 0.10 1.37 5.65 -1.26 -0.83 115.29 122.95 3hei s HIS 40 Ca 0.01 0.26 0.05 0.00 0.25 0.00 0.00 55.06 55.63 3hei s HIS 40 Cb -0.07 -2.21 -0.04 0.00 -1.18 0.00 0.00 32.58 29.08 3hei s HIS 40 CO 0.01 0.17 -0.13 0.14 -0.65 0.00 0.00 174.74 174.28 3hei s VAL 41 N 0.72 1.16 0.32 0.89 -7.23 0.11 -4.95 120.40 111.41 3hei s VAL 41 Ca 0.08 -1.61 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 3hei s VAL 41 Cb -0.12 -1.38 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 3hei s VAL 41 CO 0.01 -0.43 0.72 -1.10 -0.31 0.00 0.00 175.10 174.00 3hei s GLN 42 N -2.54 3.97 0.08 4.82 -1.52 -1.26 -0.56 119.66 122.66 3hei s GLN 42 Ca 0.06 0.63 -0.36 0.00 -1.95 0.00 0.00 55.36 53.73 3hei s GLN 42 Cb -0.05 -2.45 -0.16 0.00 -0.22 0.00 0.00 33.01 30.14 3hei s GLN 42 CO 0.02 0.16 1.45 -0.11 -0.25 0.00 0.00 175.29 176.56 3hei n LEU 43 N -0.39 2.17 0.00 2.90 7.94 -1.26 -1.01 117.00 127.34 3hei n LEU 43 Ca 0.03 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 3hei n LEU 43 Cb 0.53 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.22 3hei n LEU 43 CO 0.42 -0.75 0.00 0.59 -1.11 0.00 0.00 177.39 176.53 3hei n ASN 44 N 3.08 0.00 -4.72 1.96 3.02 0.33 -5.02 115.26 113.90 3hei n ASN 44 Ca 0.19 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.43 3hei n ASN 44 Cb 0.22 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.51 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 -3.00 3.77 -0.05 6.41 1.11 -0.18 -4.63 116.67 120.09 3hei s ASP 45 Ca 0.00 1.77 0.03 0.00 0.18 0.00 0.00 52.55 54.53 3hei s ASP 45 Cb 0.00 -2.42 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 3hei s ASP 45 CO 0.00 -2.49 -0.12 -0.31 1.18 0.00 0.00 175.17 173.43 3hei s TYR 46 N -2.85 2.78 -0.22 4.23 1.51 -0.14 -0.76 117.35 121.90 3hei s TYR 46 Ca 0.63 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.54 3hei s TYR 46 Cb -0.19 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3hei s TYR 46 CO 0.57 0.24 0.00 0.54 -1.11 0.00 0.00 175.55 175.79 3hei s VAL 47 N -0.76 3.84 -0.42 0.71 0.11 -0.57 -0.19 120.40 123.12 3hei s VAL 47 Ca 0.12 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 3hei s VAL 47 Cb -0.11 -2.75 0.03 0.00 -1.53 0.00 0.00 36.38 32.02 3hei s VAL 47 CO 0.01 0.41 0.32 -1.81 -3.33 0.00 0.00 175.10 170.69 3hei s ASP 48 N 1.27 6.12 -0.22 3.54 1.01 0.07 -1.15 116.67 127.31 3hei s ASP 48 Ca 0.04 -0.97 -0.19 0.00 0.71 0.00 0.00 52.55 52.14 3hei s ASP 48 Cb -0.15 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3hei s ASP 48 CO 0.01 -0.48 0.54 -0.63 0.21 0.00 0.00 175.17 174.82 3hei s ILE 49 N 1.67 5.07 -0.30 0.77 1.01 0.14 -1.12 121.20 128.45 3hei s ILE 49 Ca 0.05 0.99 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 3hei s ILE 49 Cb -0.20 -3.86 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 3hei s ILE 49 CO 0.09 0.13 0.12 -0.63 0.00 0.00 0.00 174.94 174.66 3hei s ILE 50 N 1.90 4.36 0.79 2.92 -1.09 0.14 -1.07 121.20 129.16 3hei s ILE 50 Ca 0.24 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 3hei s ILE 50 Cb -0.16 -3.21 0.07 0.00 -1.58 0.00 0.00 42.46 37.58 3hei s ILE 50 CO 0.09 0.10 1.11 0.00 -1.23 0.00 0.00 174.94 175.01 3hei n PRO 52 N -3.58 2.29 -3.83 0.00 -0.02 -1.25 -4.63 135.00 123.98 3hei n PRO 52 Ca 0.10 0.81 -0.12 0.00 -2.02 0.00 0.00 63.50 62.27 3hei n PRO 52 Cb 0.53 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.16 -0.11 0.01 6.00 2.46 -1.26 -4.52 115.29 116.71 3hei s HIS 53 Ca 0.58 0.26 0.01 0.00 0.47 0.00 0.00 55.06 56.38 3hei s HIS 53 Cb -0.49 0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 31.98 3hei s HIS 53 CO 0.60 -0.16 -0.03 0.71 -2.47 0.00 0.00 174.74 173.40 3hei s TYR 54 N -0.40 0.26 0.55 3.88 1.51 -0.05 -5.01 117.35 118.08 3hei s TYR 54 Ca -0.05 -0.14 -0.17 0.00 -1.01 0.00 0.00 57.07 55.69 3hei s TYR 54 Cb -0.03 -0.17 -0.06 0.00 -0.11 0.00 0.00 41.96 41.59 3hei s TYR 54 CO 0.01 -0.03 1.04 -2.00 -1.11 0.00 0.00 175.55 173.46 3hei s GLU 55 N -0.38 3.56 0.00 -0.62 2.12 -1.26 -4.52 118.70 117.60 3hei s GLU 55 Ca -0.02 1.24 0.00 0.00 0.36 0.00 0.00 54.97 56.55 3hei s GLU 55 Cb -0.03 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.30 3hei s GLU 55 CO -0.00 -0.62 0.00 -3.47 -0.54 0.00 0.00 175.26 170.63 3hei n ASP 56 N -1.59 0.00 -4.89 -1.70 2.03 -1.26 -3.38 116.55 105.76 3hei n ASP 56 Ca 0.09 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.19 3hei n ASP 56 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 3hei n ASP 56 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3hei s HIS 57 N 0.00 3.07 0.00 -0.67 3.76 -1.26 -4.97 115.29 115.21 3hei s HIS 57 Ca 0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 3hei s HIS 57 Cb 0.00 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.98 3hei s HIS 57 CO 0.00 0.26 0.00 -1.13 -0.85 0.00 0.00 174.74 173.02 3hei n SER 58 N -1.38 0.00 -3.62 1.40 3.41 -1.22 -5.11 113.62 107.11 3hei n SER 58 Ca -0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3hei n SER 58 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 3hei n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hei s VAL 59 N 0.00 0.04 0.50 -3.33 1.01 -1.26 -5.07 120.40 112.29 3hei s VAL 59 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 3hei s VAL 59 Cb 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 3hei s VAL 59 CO 0.00 -0.16 1.21 0.00 0.00 0.00 0.00 175.10 176.15 3hei s ALA 60 N -2.08 2.86 0.17 5.51 0.00 -1.26 -4.95 121.76 122.02 3hei s ALA 60 Ca -0.07 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 3hei s ALA 60 Cb -0.01 -3.43 0.11 0.00 0.00 0.00 0.00 23.12 19.79 3hei s ALA 60 CO 0.01 -0.87 1.65 -0.44 0.00 0.00 0.00 175.76 176.11 3hei h ASP 61 N 1.71 -0.47 0.16 0.00 5.19 -1.99 -1.49 116.42 119.51 3hei h ASP 61 Ca -0.50 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.05 3hei h ASP 61 Cb 1.27 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 41.07 3hei h ASP 61 CO 0.59 -0.17 -0.00 0.00 -3.12 0.00 0.00 179.24 176.54 3hei h ALA 62 N 1.36 1.00 0.00 3.45 0.00 -2.05 -1.98 119.26 121.05 3hei h ALA 62 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hei h ALA 62 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hei h ALA 62 CO -0.46 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.49 3hei n ALA 63 N -2.08 2.78 -2.29 0.00 0.00 -0.57 -4.80 120.51 113.54 3hei n ALA 63 Ca -0.02 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3hei n ALA 63 Cb 0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.07 3.82 0.44 0.00 1.00 -0.75 -4.98 119.30 115.76 3hei s MET 64 Ca 0.10 1.37 -0.25 0.00 0.00 0.00 0.00 55.69 56.91 3hei s MET 64 Cb 0.15 -3.96 -0.08 0.00 0.00 0.00 0.00 34.83 30.94 3hei s MET 64 CO 0.64 -1.25 1.36 -1.21 0.00 0.00 0.00 175.02 174.57 3hei s GLU 65 N 4.46 3.76 -0.02 2.03 2.02 -1.26 -5.00 118.70 124.69 3hei s GLU 65 Ca 0.63 2.27 -0.04 0.00 0.02 0.00 0.00 54.97 57.84 3hei s GLU 65 Cb -0.19 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3hei s GLU 65 CO 0.26 -0.70 0.10 -0.65 0.02 0.00 0.00 175.26 174.29 3hei s GLN 66 N -2.41 0.24 0.04 1.61 -0.21 -1.26 -4.65 119.66 113.02 3hei s GLN 66 Ca 0.60 -0.09 -0.00 0.00 0.02 0.00 0.00 55.36 55.89 3hei s GLN 66 Cb -0.40 0.10 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 3hei s GLN 66 CO 0.52 -0.04 -0.04 0.71 -2.12 0.00 0.00 175.29 174.31 3hei s TYR 67 N -0.52 0.47 -0.14 0.91 2.02 -0.56 -2.26 117.35 117.28 3hei s TYR 67 Ca -0.06 -0.81 -0.11 0.00 -0.37 0.00 0.00 57.07 55.72 3hei s TYR 67 Cb -0.04 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 3hei s TYR 67 CO 0.00 -0.26 0.22 0.42 -1.57 0.00 0.00 175.55 174.36 3hei s ILE 68 N -2.79 5.35 -0.18 2.71 1.01 -0.05 -0.09 121.20 127.17 3hei s ILE 68 Ca -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 3hei s ILE 68 Cb -0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3hei s ILE 68 CO -0.05 0.48 0.08 -0.76 0.00 0.00 0.00 174.94 174.69 3hei s LEU 69 N -0.10 3.92 0.17 2.97 1.43 0.25 -1.39 118.68 125.93 3hei s LEU 69 Ca 0.15 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3hei s LEU 69 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 3hei s LEU 69 CO 0.03 0.19 -0.19 -0.31 0.23 0.00 0.00 176.35 176.30 3hei s TYR 70 N 0.28 2.44 -0.23 0.29 1.51 0.49 -0.01 117.35 122.10 3hei s TYR 70 Ca 0.05 -0.31 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 3hei s TYR 70 Cb -0.12 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3hei s TYR 70 CO -0.00 0.46 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.62 3hei s LEU 71 N -2.52 2.97 0.18 -1.29 2.96 -0.60 -1.18 118.68 119.20 3hei s LEU 71 Ca 0.20 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3hei s LEU 71 Cb -0.09 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3hei s LEU 71 CO 0.11 -0.11 0.07 0.68 -1.32 0.00 0.00 176.35 175.78 3hei s VAL 72 N 1.27 0.32 0.68 1.68 -7.23 -0.03 -4.78 120.40 112.31 3hei s VAL 72 Ca -0.00 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.12 3hei s VAL 72 Cb -0.16 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.53 3hei s VAL 72 CO -0.07 -0.26 1.00 -1.61 -0.31 0.00 0.00 175.10 173.85 3hei s GLU 73 N -4.04 2.48 0.26 4.82 0.41 -1.26 -3.73 118.70 117.65 3hei s GLU 73 Ca 0.30 -0.06 -0.03 0.00 -0.41 0.00 0.00 54.97 54.77 3hei s GLU 73 Cb 0.07 -2.16 0.53 0.00 -1.78 0.00 0.00 34.13 30.79 3hei s GLU 73 CO 0.07 -1.08 1.66 1.25 -0.49 0.00 0.00 175.26 176.68 3hei h HIS 74 N -0.51 0.24 -0.41 1.61 2.76 -1.96 -0.58 115.15 116.29 3hei h HIS 74 Ca -0.45 0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 57.75 3hei h HIS 74 Cb 1.29 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 3hei h HIS 74 CO 0.40 -0.15 0.19 0.93 -1.30 0.00 0.00 177.93 178.00 3hei h GLU 75 N 0.22 0.60 -0.78 5.26 3.07 -1.99 0.14 114.58 121.10 3hei h GLU 75 Ca 0.45 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 3hei h GLU 75 Cb 0.83 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 3hei h GLU 75 CO -0.58 0.53 0.38 0.93 -1.40 0.00 0.00 179.01 178.86 3hei h GLU 76 N 0.53 1.11 0.09 2.33 3.07 -1.43 -1.77 114.58 118.52 3hei h GLU 76 Ca 0.14 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3hei h GLU 76 Cb 0.13 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3hei h GLU 76 CO -0.02 0.86 -0.04 -0.92 -1.40 0.00 0.00 179.01 177.48 3hei h TYR 77 N 1.11 -0.12 -0.69 4.33 3.20 -0.43 0.28 116.97 124.66 3hei h TYR 77 Ca 0.27 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3hei h TYR 77 Cb 0.11 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.34 3hei h TYR 77 CO 0.01 0.02 0.30 1.96 -1.64 0.00 0.00 178.16 178.81 3hei h GLN 78 N -0.23 0.49 0.00 1.82 1.08 -0.54 -1.31 115.11 116.43 3hei h GLN 78 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hei h GLN 78 Cb 0.19 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3hei h GLN 78 CO 0.02 0.33 0.00 1.28 -0.95 0.00 0.00 178.83 179.51 3hei n LEU 79 N -4.93 0.10 -3.74 1.46 4.77 -0.68 -4.93 117.00 109.05 3hei n LEU 79 Ca 0.11 0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 56.32 3hei n LEU 79 Cb 0.30 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3hei n LEU 79 CO 0.23 -0.06 0.09 0.00 -1.33 0.00 0.00 177.39 176.31 3hei s GLN 81 N -6.44 0.19 0.65 0.00 2.00 -0.44 -5.00 119.66 110.62 3hei s GLN 81 Ca 0.59 0.56 -0.14 0.00 -2.00 0.00 0.00 55.36 54.38 3hei s GLN 81 Cb -0.30 -0.11 -0.01 0.00 0.80 0.00 0.00 33.01 33.39 3hei s GLN 81 CO 0.73 -0.19 1.07 -1.25 -0.50 0.00 0.00 175.29 175.15 3hei s PRO 82 N 1.47 3.06 -0.03 1.67 0.04 -1.26 -4.52 135.00 135.43 3hei s PRO 82 Ca -0.07 1.14 0.15 0.00 0.04 0.00 0.00 61.00 62.25 3hei s PRO 82 Cb -0.11 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 32.23 3hei s PRO 82 CO -0.08 -1.01 0.65 0.94 0.04 0.00 0.00 177.00 177.53 3hei n GLN 83 N -2.54 0.63 -3.87 4.56 7.27 -1.26 -4.98 117.38 117.19 3hei n GLN 83 Ca 0.09 0.23 -0.08 0.00 0.07 0.00 0.00 57.00 57.31 3hei n GLN 83 Cb 0.53 -1.77 -0.02 0.00 2.41 0.00 0.00 30.24 31.40 3hei n GLN 83 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3hei s SER 84 N -5.90 -0.18 0.47 1.69 1.04 -1.26 -5.01 113.70 104.55 3hei s SER 84 Ca -0.05 -0.74 0.24 0.00 0.48 0.00 0.00 55.95 55.88 3hei s SER 84 Cb 0.08 0.73 1.13 0.00 0.10 0.00 0.00 66.02 68.06 3hei s SER 84 CO 0.82 -1.37 1.93 0.50 0.98 0.00 0.00 173.24 176.10 3hei h LYS 85 N 2.03 0.00 0.00 4.02 1.63 -2.01 -2.04 116.57 120.20 3hei h LYS 85 Ca -0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 3hei h LYS 85 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3hei h LYS 85 CO 0.27 0.21 0.11 -0.44 -3.45 0.00 0.00 179.45 176.15 3hei h ASP 86 N 0.00 0.00 0.51 4.20 3.45 -2.01 -1.65 116.42 120.92 3hei h ASP 86 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hei h ASP 86 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3hei h ASP 86 CO 0.03 0.00 -0.13 0.00 -1.57 0.00 0.00 179.24 177.57 3hei n GLN 87 N -2.85 0.46 -1.66 3.56 6.02 -0.77 -4.88 117.38 117.27 3hei n GLN 87 Ca -0.02 -0.14 -0.48 0.00 -0.01 0.00 0.00 57.00 56.34 3hei n GLN 87 Cb 0.17 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.15 0.15 -0.10 5.09 0.31 -0.62 -1.56 118.33 120.44 3hei n VAL 88 Ca 0.12 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 3hei n VAL 88 Cb 0.29 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 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 4.10 0.51 -3.59 5.55 3.00 0.98 -4.84 116.66 122.37 3hei n ARG 89 Ca 0.19 0.13 -0.06 0.00 -0.00 0.00 0.00 57.85 58.11 3hei n ARG 89 Cb 0.26 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 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 -2.41 -0.23 -0.18 -0.14 -0.11 -1.09 -5.02 118.94 109.76 3hei s TRP 90 Ca -0.28 0.07 0.01 0.00 1.22 0.00 0.00 56.10 57.12 3hei s TRP 90 Cb 0.08 0.56 0.02 0.00 -1.50 0.00 0.00 33.47 32.63 3hei s TRP 90 CO 0.47 -0.55 -0.20 -0.65 -4.62 0.00 0.00 176.95 171.40 3hei s GLN 91 N -3.01 2.96 -1.30 5.86 -0.21 -1.26 -0.59 119.66 122.11 3hei s GLN 91 Ca 0.08 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.48 3hei s GLN 91 Cb -0.01 -2.57 0.11 0.00 1.00 0.00 0.00 33.01 31.55 3hei s GLN 91 CO -0.05 -0.22 1.75 0.00 -2.12 0.00 0.00 175.29 174.65 3hei n ASN 93 N 6.40 1.48 -3.23 0.00 6.94 -1.26 -1.49 115.26 124.10 3hei n ASN 93 Ca 0.44 -3.08 -0.24 0.00 -0.02 0.00 0.00 54.58 51.68 3hei n ASN 93 Cb 0.42 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 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 -0.66 1.58 0.30 -3.83 1.74 -1.26 -4.97 116.66 109.56 3hei n ARG 94 Ca 0.13 -3.87 0.17 0.00 -0.77 0.00 0.00 57.85 53.52 3hei n ARG 94 Cb 0.80 -1.72 0.92 0.00 -1.02 0.00 0.00 32.46 31.43 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 3.76 0.00 -0.43 5.56 0.13 -1.86 -2.83 132.00 136.33 3hei h PRO 95 Ca 0.12 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.93 3hei h PRO 95 Cb 0.79 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.61 3hei h PRO 95 CO 0.62 0.04 -0.80 -1.13 -0.23 0.00 0.00 178.00 176.51 3hei n SER 96 N -3.43 3.21 -4.55 1.44 3.41 -1.26 -0.87 113.62 111.56 3hei n SER 96 Ca -0.02 -3.39 -0.49 0.00 -0.26 0.00 0.00 58.87 54.71 3hei n SER 96 Cb 0.16 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.70 -1.20 -0.24 7.33 0.00 -1.07 -4.83 120.51 119.80 3hei n ALA 97 Ca 0.28 0.46 0.10 0.00 0.00 0.00 0.00 53.44 54.29 3hei n ALA 97 Cb 0.88 -1.96 0.37 0.00 0.00 0.00 0.00 19.45 18.75 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 2.91 0.69 0.00 0.00 1.57 -1.96 -2.84 116.57 116.94 3hei h LYS 98 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hei h LYS 98 Cb 1.36 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3hei h LYS 98 CO 0.67 0.46 -0.34 -2.39 -0.57 0.00 0.00 179.45 177.28 3hei n HIS 99 N -4.53 0.40 0.00 -1.35 1.44 -1.26 -5.02 115.22 104.90 3hei n HIS 99 Ca 0.15 0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 3hei n HIS 99 Cb 0.40 -0.59 0.00 0.00 0.12 0.00 0.00 29.99 29.92 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 1.40 0.66 3.76 -1.39 0.00 -1.07 -5.09 105.19 103.47 3hei n GLY 100 Ca 0.05 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 3hei n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hei s PRO 101 N -0.73 3.67 0.50 1.61 0.02 -1.26 -4.50 135.00 134.31 3hei s PRO 101 Ca 0.00 2.05 -0.21 0.00 0.02 0.00 0.00 61.00 62.86 3hei s PRO 101 Cb 0.00 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.95 3hei s PRO 101 CO 0.00 -0.71 1.16 -2.00 -0.33 0.00 0.00 177.00 175.12 3hei s GLU 102 N -2.58 3.53 -0.07 5.54 2.56 -1.26 -4.88 118.70 121.55 3hei s GLU 102 Ca 0.63 1.73 -0.05 0.00 0.00 0.00 0.00 54.97 57.28 3hei s GLU 102 Cb -0.36 -2.21 0.02 0.00 2.00 0.00 0.00 34.13 33.58 3hei s GLU 102 CO 0.44 -0.73 0.17 0.21 -0.56 0.00 0.00 175.26 174.78 3hei s LYS 103 N -2.98 0.18 -0.24 4.30 2.20 -1.26 -1.03 119.74 120.91 3hei s LYS 103 Ca 0.68 0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 56.50 3hei s LYS 103 Cb -0.27 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.06 3hei s LYS 103 CO 0.32 -0.05 0.05 -1.17 -0.36 0.00 0.00 175.35 174.13 3hei s LEU 104 N 0.33 3.34 -0.33 5.43 2.96 -0.23 -4.96 118.68 125.23 3hei s LEU 104 Ca -0.02 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3hei s LEU 104 Cb -0.03 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.83 3hei s LEU 104 CO -0.01 -0.03 0.07 -0.44 -1.32 0.00 0.00 176.35 174.61 3hei s SER 105 N 1.59 5.06 -0.28 3.68 0.01 -1.26 0.28 113.70 122.77 3hei s SER 105 Ca 0.06 -1.42 -0.14 0.00 1.31 0.00 0.00 55.95 55.76 3hei s SER 105 Cb -0.15 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3hei s SER 105 CO 0.02 -0.34 0.34 -0.70 0.41 0.00 0.00 173.24 172.97 3hei s GLU 106 N 1.26 3.95 -0.16 12.44 2.56 -0.30 -4.96 118.70 133.47 3hei s GLU 106 Ca -0.01 -0.09 -0.21 0.00 0.00 0.00 0.00 54.97 54.66 3hei s GLU 106 Cb -0.20 -3.68 -0.03 0.00 2.00 0.00 0.00 34.13 32.22 3hei s GLU 106 CO -0.01 -0.29 0.61 0.21 -0.56 0.00 0.00 175.26 175.22 3hei s LYS 107 N 2.01 4.27 -1.55 4.30 2.20 -1.26 -1.51 119.74 128.19 3hei s LYS 107 Ca 0.13 0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 56.24 3hei s LYS 107 Cb -0.16 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 3hei s LYS 107 CO 0.10 -0.12 2.65 1.19 -0.36 0.00 0.00 175.35 178.81 3hei n PHE 108 N 4.61 2.87 -3.32 4.03 3.01 0.06 -4.93 117.46 123.78 3hei n PHE 108 Ca -0.02 -3.03 -0.31 0.00 1.01 0.00 0.00 57.45 55.09 3hei n PHE 108 Cb 0.50 -2.51 -0.05 0.00 -0.01 0.00 0.00 39.48 37.41 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 2.62 3.81 0.17 -1.08 -2.07 -1.26 -0.52 119.66 121.34 3hei s GLN 109 Ca 0.60 0.32 -0.07 0.00 -1.82 0.00 0.00 55.36 54.39 3hei s GLN 109 Cb 0.16 -2.59 0.06 0.00 -1.09 0.00 0.00 33.01 29.55 3hei s GLN 109 CO -0.07 0.25 1.51 -0.09 -1.32 0.00 0.00 175.29 175.58 3hei h ARG 110 N 2.30 0.77 -5.64 9.60 9.65 -1.92 -1.12 114.38 128.02 3hei h ARG 110 Ca -0.47 -0.42 -0.48 0.00 -1.10 0.00 0.00 59.98 57.52 3hei h ARG 110 Cb 1.17 0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 29.55 3hei h ARG 110 CO 0.68 1.04 -0.80 -0.06 2.80 0.00 0.00 179.97 183.63 3hei s PHE 111 N -4.28 1.44 0.07 2.20 0.08 -1.26 -3.83 117.98 112.38 3hei s PHE 111 Ca -0.09 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.59 3hei s PHE 111 Cb 0.11 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 3hei s PHE 111 CO 0.86 0.10 -0.14 -0.08 -0.10 0.00 0.00 175.22 175.85 3hei s THR 112 N -1.10 1.14 -1.86 0.64 -1.32 -1.26 -5.02 115.64 106.86 3hei s THR 112 Ca 0.02 -1.26 0.30 0.00 -1.21 0.00 0.00 61.69 59.54 3hei s THR 112 Cb -0.09 -1.08 0.61 0.00 -1.51 0.00 0.00 72.50 70.43 3hei s THR 112 CO 0.03 -0.17 1.97 -0.81 -2.21 0.00 0.00 174.62 173.43 3hei n PRO 113 N 1.39 0.91 -3.81 7.08 -0.04 -1.26 -4.81 135.00 134.46 3hei n PRO 113 Ca -0.20 -0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 62.64 3hei n PRO 113 Cb 0.54 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 3.21 0.69 0.54 5.36 -1.26 -5.09 117.98 119.16 3hei s PHE 114 Ca 0.36 -1.43 -0.11 0.00 -0.96 0.00 0.00 56.93 54.79 3hei s PHE 114 Cb 0.21 -2.21 0.01 0.00 -0.34 0.00 0.00 43.02 40.68 3hei s PHE 114 CO 0.42 -0.71 1.06 0.95 -1.46 0.00 0.00 175.22 175.48 3hei s THR 115 N 1.39 3.97 0.00 0.12 -4.23 -1.26 -0.80 115.64 114.83 3hei s THR 115 Ca -0.01 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3hei s THR 115 Cb -0.19 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3hei s THR 115 CO 0.01 -0.81 0.00 0.18 -0.54 0.00 0.00 174.62 173.46 3hei n LEU 116 N -3.04 0.00 -4.96 4.79 4.77 -1.26 -4.99 117.00 112.31 3hei n LEU 116 Ca 0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 3hei n LEU 116 Cb 0.53 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.76 3hei n LEU 116 CO 0.55 0.00 0.71 -0.83 -1.33 0.00 0.00 177.39 176.49 3hei s GLY 117 N -0.57 1.76 0.11 -0.72 0.00 0.02 -5.10 107.32 102.83 3hei s GLY 117 Ca 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 44.72 43.40 3hei s GLY 117 CO 0.00 -0.76 -0.19 1.25 0.00 0.00 0.00 173.10 173.40 3hei s LYS 118 N -5.50 1.78 -0.06 2.90 2.47 -1.26 -5.01 119.74 115.05 3hei s LYS 118 Ca 0.69 -1.18 0.02 0.00 -1.56 0.00 0.00 55.97 53.95 3hei s LYS 118 Cb -0.05 -2.11 -0.03 0.00 -1.46 0.00 0.00 37.83 34.19 3hei s LYS 118 CO 0.48 0.48 -0.10 -1.21 0.16 0.00 0.00 175.35 175.17 3hei s GLU 119 N -2.10 2.63 0.06 4.03 2.02 -1.26 -4.76 118.70 119.32 3hei s GLU 119 Ca 0.18 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 54.63 3hei s GLU 119 Cb -0.11 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 3hei s GLU 119 CO 0.10 0.64 -0.24 -0.06 0.02 0.00 0.00 175.26 175.72 3hei s PHE 120 N -0.79 2.09 0.05 1.61 0.40 -0.42 -5.02 117.98 115.89 3hei s PHE 120 Ca 0.12 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 3hei s PHE 120 Cb -0.11 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.18 3hei s PHE 120 CO 0.01 0.15 -0.12 0.15 0.70 0.00 0.00 175.22 176.11 3hei s LYS 121 N -1.40 0.79 0.19 0.44 1.02 -1.26 -3.73 119.74 115.79 3hei s LYS 121 Ca 0.10 -0.78 -0.33 0.00 0.02 0.00 0.00 55.97 54.99 3hei s LYS 121 Cb -0.10 -0.75 -0.14 0.00 -0.52 0.00 0.00 37.83 36.32 3hei s LYS 121 CO 0.03 0.18 1.52 0.39 -0.92 0.00 0.00 175.35 176.54 3hei n GLU 122 N 1.71 2.11 -0.45 1.68 1.02 -1.26 -1.93 120.64 123.52 3hei n GLU 122 Ca -0.19 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3hei n GLU 122 Cb 0.55 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 2.92 1.00 3.69 0.62 0.00 0.13 -4.81 105.19 108.75 3hei n GLY 123 Ca 0.15 0.00 -0.23 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 -3.04 2.68 0.15 1.61 3.76 -0.81 -4.87 115.29 114.76 3hei s HIS 124 Ca 0.00 -0.35 0.09 0.00 -0.15 0.00 0.00 55.06 54.65 3hei s HIS 124 Cb 0.00 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 3hei s HIS 124 CO 0.00 0.44 -0.14 -1.12 -0.85 0.00 0.00 174.74 173.07 3hei s SER 125 N -3.78 4.06 0.08 1.40 0.01 -1.26 -0.84 113.70 113.37 3hei s SER 125 Ca 0.35 -0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.09 3hei s SER 125 Cb -0.03 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 3hei s SER 125 CO 0.21 0.15 -0.12 -0.31 0.41 0.00 0.00 173.24 173.58 3hei s TYR 126 N -1.41 1.07 -0.05 2.43 2.02 0.16 -4.96 117.35 116.60 3hei s TYR 126 Ca 0.21 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3hei s TYR 126 Cb -0.10 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3hei s TYR 126 CO 0.12 0.02 -0.11 0.71 -1.57 0.00 0.00 175.55 174.72 3hei s TYR 127 N -1.70 1.26 -0.01 2.71 1.51 -1.24 -0.21 117.35 119.67 3hei s TYR 127 Ca -0.01 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3hei s TYR 127 Cb -0.08 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3hei s TYR 127 CO 0.01 -0.21 -0.08 0.71 -1.11 0.00 0.00 175.55 174.87 3hei s TYR 128 N 0.53 2.86 0.11 2.71 2.02 0.22 -0.85 117.35 124.95 3hei s TYR 128 Ca -0.11 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3hei s TYR 128 Cb -0.14 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 3hei s TYR 128 CO 0.02 0.34 -0.08 0.96 -1.57 0.00 0.00 175.55 175.23 3hei s ILE 129 N -0.93 0.81 0.32 2.71 -4.36 -0.32 -0.94 121.20 118.49 3hei s ILE 129 Ca 0.15 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.66 3hei s ILE 129 Cb -0.11 -1.70 -0.06 0.00 1.25 0.00 0.00 42.46 41.84 3hei s ILE 129 CO 0.05 -0.83 -0.03 -0.94 0.24 0.00 0.00 174.94 173.43 3hei s SER 130 N -3.03 3.02 -0.01 4.36 1.04 -0.72 -0.38 113.70 117.97 3hei s SER 130 Ca 0.12 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.33 3hei s SER 130 Cb 0.04 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 3hei s SER 130 CO -0.03 -0.38 -0.09 -0.54 0.98 0.00 0.00 173.24 173.18 3hei s LYS 131 N -3.74 0.79 0.45 4.02 -0.14 -0.48 -4.65 119.74 115.99 3hei s LYS 131 Ca 0.32 -0.31 -0.23 0.00 -1.36 0.00 0.00 55.97 54.40 3hei s LYS 131 Cb 0.05 -0.76 -0.08 0.00 -1.68 0.00 0.00 37.83 35.37 3hei s LYS 131 CO 0.14 0.16 1.12 -1.25 -0.76 0.00 0.00 175.35 174.76 3hei s PRO 132 N -0.05 3.84 -0.06 -1.68 0.04 -1.26 -0.87 135.00 134.95 3hei s PRO 132 Ca 0.01 1.65 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 3hei s PRO 132 Cb -0.05 -2.37 -0.30 0.00 0.04 0.00 0.00 34.50 31.82 3hei s PRO 132 CO -0.00 -0.46 0.89 0.82 0.04 0.00 0.00 177.00 178.29 3hei h ILE 133 N 1.86 1.57 0.00 0.56 2.04 -1.79 -3.43 117.51 118.33 3hei h ILE 133 Ca -0.49 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 62.92 3hei h ILE 133 Cb 1.24 3.19 0.00 0.00 -0.74 0.00 0.00 36.82 40.51 3hei h ILE 133 CO 0.60 0.68 -0.88 1.41 0.00 0.00 0.00 178.15 179.97 3hei n HIS 134 N -4.24 0.00 -2.17 1.37 8.25 -1.26 -5.07 115.22 112.09 3hei n HIS 134 Ca -0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.02 3hei n HIS 134 Cb 0.73 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.83 3.74 0.12 -0.41 -0.21 -1.26 -5.02 119.66 114.79 3hei s GLN 135 Ca 0.00 0.79 -0.31 0.00 0.02 0.00 0.00 55.36 55.86 3hei s GLN 135 Cb 0.00 -2.13 -0.08 0.00 1.00 0.00 0.00 33.01 31.80 3hei s GLN 135 CO 0.00 -0.40 1.34 -1.58 -2.12 0.00 0.00 175.29 172.53 3hei s HIS 136 N -2.89 3.28 -0.61 0.91 5.65 -1.26 -4.69 115.29 115.68 3hei s HIS 136 Ca 0.56 1.05 -0.28 0.00 0.25 0.00 0.00 55.06 56.65 3hei s HIS 136 Cb -0.10 -3.63 0.02 0.00 -1.18 0.00 0.00 32.58 27.69 3hei s HIS 136 CO 0.43 -2.12 1.40 -2.00 -0.65 0.00 0.00 174.74 171.80 3hei s GLU 137 N 0.89 3.25 0.00 2.88 2.12 -1.26 -4.80 118.70 121.78 3hei s GLU 137 Ca 0.62 0.29 0.23 0.00 0.36 0.00 0.00 54.97 56.48 3hei s GLU 137 Cb -0.36 -4.14 0.41 0.00 0.26 0.00 0.00 34.13 30.30 3hei s GLU 137 CO 0.31 -2.02 1.39 -0.40 -0.54 0.00 0.00 175.26 174.01 3hei n ASP 138 N 9.66 3.32 -3.56 -1.70 5.75 -1.26 -4.98 116.55 123.78 3hei n ASP 138 Ca 0.11 -1.98 -0.13 0.00 -0.01 0.00 0.00 54.79 52.77 3hei n ASP 138 Cb 0.49 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 40.32 3hei n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hei s ARG 139 N -1.59 0.74 -0.17 0.11 1.70 -1.26 -5.16 118.95 113.33 3hei s ARG 139 Ca 0.37 0.21 -0.19 0.00 -0.47 0.00 0.00 55.73 55.65 3hei s ARG 139 Cb 0.22 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 3hei s ARG 139 CO 0.31 -0.23 0.55 0.00 -1.08 0.00 0.00 175.30 174.85 3hei s LEU 141 N 1.38 3.54 0.14 0.00 1.43 -1.26 -4.76 118.68 119.14 3hei s LEU 141 Ca 0.27 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 3hei s LEU 141 Cb -0.16 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 3hei s LEU 141 CO 0.11 -0.01 0.26 0.00 0.23 0.00 0.00 176.35 176.94 3hei s ARG 142 N 1.47 1.06 -0.06 1.70 1.70 -1.26 -1.75 118.95 121.80 3hei s ARG 142 Ca 0.06 -1.09 -0.04 0.00 -0.47 0.00 0.00 55.73 54.19 3hei s ARG 142 Cb -0.15 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3hei s ARG 142 CO 0.04 -0.38 0.15 -1.17 -1.08 0.00 0.00 175.30 172.87 3hei s LEU 143 N -2.93 0.94 -0.18 -1.89 2.96 -0.12 -4.53 118.68 112.94 3hei s LEU 143 Ca 0.13 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 3hei s LEU 143 Cb 0.04 0.43 -0.04 0.00 0.50 0.00 0.00 46.19 47.11 3hei s LEU 143 CO -0.04 -0.12 0.05 -0.75 -1.32 0.00 0.00 176.35 174.18 3hei s LYS 144 N 0.82 3.91 -0.16 1.98 2.20 -0.39 -0.61 119.74 127.49 3hei s LYS 144 Ca -0.06 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 3hei s LYS 144 Cb -0.08 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 33.08 3hei s LYS 144 CO -0.04 0.30 -0.19 0.08 -0.36 0.00 0.00 175.35 175.13 3hei s VAL 145 N 0.29 2.22 -0.18 4.02 1.01 0.71 -0.81 120.40 127.66 3hei s VAL 145 Ca 0.03 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 3hei s VAL 145 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3hei s VAL 145 CO 0.00 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.74 3hei s THR 146 N 1.03 3.97 -0.18 3.92 2.01 -0.01 0.35 115.64 126.73 3hei s THR 146 Ca -0.02 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.44 3hei s THR 146 Cb -0.14 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 3hei s THR 146 CO -0.06 0.45 0.72 -0.69 -0.69 0.00 0.00 174.62 174.36 3hei s VAL 147 N 0.73 4.96 0.72 3.82 1.01 -0.02 -0.71 120.40 130.91 3hei s VAL 147 Ca -0.00 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 3hei s VAL 147 Cb -0.14 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3hei s VAL 147 CO 0.02 0.08 1.08 -1.59 0.00 0.00 0.00 175.10 174.69 3hei s LYS 148 N 1.98 2.60 0.00 2.72 0.00 0.28 0.23 119.74 127.54 3hei s LYS 148 Ca 0.33 1.13 0.31 0.00 0.00 0.00 0.00 55.97 57.74 3hei s LYS 148 Cb -0.16 -1.94 1.63 0.00 0.00 0.00 0.00 37.83 37.36 3hei s LYS 148 CO 0.11 -1.37 2.07 -0.89 0.00 0.00 0.00 175.35 175.28