#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hei s ASP 19 N 0.00 6.11 -0.02 0.00 -0.00 -1.26 -4.81 116.67 116.69 3hei s ASP 19 Ca 0.00 2.28 0.05 0.00 -0.00 0.00 0.00 52.55 54.88 3hei s ASP 19 Cb 0.00 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.29 3hei s ASP 19 CO 0.00 -0.96 -0.15 -0.13 -0.00 0.00 0.00 175.17 173.94 3hei s ARG 20 N -2.79 2.38 -0.21 8.23 0.52 -1.26 -1.60 118.95 124.22 3hei s ARG 20 Ca 0.65 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 55.05 3hei s ARG 20 Cb -0.28 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3hei s ARG 20 CO 0.33 0.60 -0.10 -1.01 0.02 0.00 0.00 175.30 175.14 3hei s HIS 21 N -0.82 2.90 -0.11 -0.53 3.76 -0.44 -4.97 115.29 115.09 3hei s HIS 21 Ca 0.13 -1.22 -0.16 0.00 -0.15 0.00 0.00 55.06 53.66 3hei s HIS 21 Cb -0.11 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 3hei s HIS 21 CO 0.03 -0.65 0.41 0.99 -0.85 0.00 0.00 174.74 174.66 3hei s THR 22 N 1.40 5.20 -0.17 1.30 2.01 -1.26 0.51 115.64 124.64 3hei s THR 22 Ca 0.05 0.80 0.01 0.00 0.31 0.00 0.00 61.69 62.87 3hei s THR 22 Cb -0.14 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3hei s THR 22 CO -0.07 0.39 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.38 3hei s VAL 23 N 0.26 1.92 -0.65 3.82 1.01 0.39 -4.94 120.40 122.21 3hei s VAL 23 Ca 0.23 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3hei s VAL 23 Cb -0.15 -1.74 0.10 0.00 0.00 0.00 0.00 36.38 34.59 3hei s VAL 23 CO 0.09 0.52 0.83 -0.36 0.00 0.00 0.00 175.10 176.17 3hei s PHE 24 N 1.28 2.91 -1.25 5.22 0.40 -1.26 0.12 117.98 125.40 3hei s PHE 24 Ca 0.03 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.33 3hei s PHE 24 Cb -0.13 -4.13 0.11 0.00 0.51 0.00 0.00 43.02 39.38 3hei s PHE 24 CO -0.11 -1.43 1.60 -0.46 0.70 0.00 0.00 175.22 175.52 3hei s TRP 25 N 3.12 3.07 0.09 0.36 -0.11 0.28 -4.80 118.94 120.94 3hei s TRP 25 Ca 0.17 -1.81 -0.04 0.00 1.22 0.00 0.00 56.10 55.65 3hei s TRP 25 Cb -0.20 -4.57 -0.03 0.00 -1.50 0.00 0.00 33.47 27.17 3hei s TRP 25 CO 0.06 -1.64 0.08 0.54 -4.62 0.00 0.00 176.95 171.37 3hei s ASN 26 N 3.69 0.31 0.00 5.86 6.03 -1.26 -3.76 114.94 125.80 3hei s ASN 26 Ca 0.49 -0.96 0.23 0.00 -1.03 0.00 0.00 52.86 51.60 3hei s ASN 26 Cb 0.01 0.28 1.19 0.00 -3.03 0.00 0.00 41.25 39.71 3hei s ASN 26 CO 0.04 -0.70 1.77 -1.54 -2.03 0.00 0.00 177.10 174.64 3hei n SER 27 N -0.02 0.00 -0.80 3.54 3.41 -1.26 -2.65 113.62 115.84 3hei n SER 27 Ca -0.11 -0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.49 3hei n SER 27 Cb 0.62 -0.27 0.13 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.27 2.79 -4.62 4.04 3.41 -1.26 -4.82 113.62 111.89 3hei n SER 28 Ca 0.11 -1.82 -0.43 0.00 -0.26 0.00 0.00 58.87 56.48 3hei n SER 28 Cb 0.18 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.32 6.78 0.59 4.04 3.84 -1.09 -4.93 114.94 122.86 3hei s ASN 29 Ca 0.26 0.79 0.34 0.00 0.21 0.00 0.00 52.86 54.45 3hei s ASN 29 Cb 0.16 -2.49 1.89 0.00 -0.55 0.00 0.00 41.25 40.26 3hei s ASN 29 CO 0.23 -0.83 2.23 -0.65 -2.79 0.00 0.00 177.10 175.29 3hei h PRO 30 N 8.27 0.00 0.00 0.43 0.11 -1.90 -2.22 132.00 136.68 3hei h PRO 30 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3hei h PRO 30 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hei h PRO 30 CO 0.99 0.03 -0.03 0.87 -0.21 0.00 0.00 178.00 179.65 3hei h LYS 31 N 0.00 0.00 -0.01 1.05 1.57 -1.96 -1.82 116.57 115.40 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3hei h LYS 31 CO 0.00 0.03 -0.09 1.19 -0.57 0.00 0.00 179.45 180.01 3hei n PHE 32 N -3.38 0.00 0.22 -1.35 3.01 -0.84 -3.96 117.46 111.17 3hei n PHE 32 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.54 3hei n PHE 32 Cb 0.14 -0.09 0.33 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.12 0.00 -0.70 -1.08 0.11 -1.50 -2.30 114.38 110.02 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 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3hei h ARG 33 CO 0.00 0.18 0.00 0.09 0.10 0.00 0.00 179.97 180.34 3hei n ASN 34 N -3.22 4.01 -1.42 0.08 3.02 -1.26 -4.95 115.26 111.52 3hei n ASN 34 Ca 0.02 -2.06 -0.18 0.00 -0.03 0.00 0.00 54.58 52.33 3hei n ASN 34 Cb 0.50 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.51 -1.26 -0.22 3.52 1.02 -0.87 -4.85 120.64 119.49 3hei n GLU 35 Ca 0.24 1.11 0.04 0.00 -0.02 0.00 0.00 57.16 58.53 3hei n GLU 35 Cb 0.65 -5.39 0.06 0.00 -0.02 0.00 0.00 31.44 26.74 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 -0.93 1.20 -4.69 1.62 5.75 -1.26 -4.91 116.55 113.32 3hei n ASP 36 Ca -0.18 -2.36 -0.58 0.00 -0.01 0.00 0.00 54.79 51.66 3hei n ASP 36 Cb 0.59 -0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.66 2.02 -3.78 2.11 -0.00 -1.25 -4.90 117.16 110.70 3hei n TYR 37 Ca 0.07 0.54 -0.15 0.00 -0.00 0.00 0.00 57.90 58.36 3hei n TYR 37 Cb 0.61 -2.46 -0.16 0.00 -0.00 0.00 0.00 39.34 37.33 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 3.80 -0.06 -0.02 2.97 2.01 -1.26 -1.21 115.64 121.87 3hei s THR 38 Ca 1.00 0.21 0.05 0.00 0.31 0.00 0.00 61.69 63.25 3hei s THR 38 Cb -1.08 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3hei s THR 38 CO 0.66 0.08 -0.17 0.27 -0.69 0.00 0.00 174.62 174.77 3hei s ILE 39 N 1.02 1.33 -0.18 1.82 -4.36 0.10 -4.99 121.20 115.94 3hei s ILE 39 Ca -0.08 -0.71 -0.10 0.00 -0.26 0.00 0.00 60.65 59.50 3hei s ILE 39 Cb -0.12 -1.11 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 3hei s ILE 39 CO -0.03 0.38 0.15 -2.28 0.24 0.00 0.00 174.94 173.40 3hei s HIS 40 N -0.30 3.45 0.11 1.37 5.65 -1.26 -0.88 115.29 123.43 3hei s HIS 40 Ca 0.04 0.40 0.04 0.00 0.25 0.00 0.00 55.06 55.79 3hei s HIS 40 Cb -0.07 -2.15 -0.04 0.00 -1.18 0.00 0.00 32.58 29.14 3hei s HIS 40 CO -0.00 0.36 -0.10 0.14 -0.65 0.00 0.00 174.74 174.48 3hei s VAL 41 N 0.14 1.02 0.18 0.89 -7.23 -0.24 -4.96 120.40 110.20 3hei s VAL 41 Ca 0.10 -1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 3hei s VAL 41 Cb -0.11 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.23 3hei s VAL 41 CO -0.00 -0.61 0.66 -1.58 -0.31 0.00 0.00 175.10 173.26 3hei s GLN 42 N -3.10 4.21 0.11 4.82 2.00 -1.26 -0.44 119.66 125.99 3hei s GLN 42 Ca 0.09 0.78 -0.34 0.00 -2.00 0.00 0.00 55.36 53.89 3hei s GLN 42 Cb -0.01 -2.98 -0.18 0.00 0.80 0.00 0.00 33.01 30.64 3hei s GLN 42 CO 0.00 0.47 0.94 -0.11 -0.50 0.00 0.00 175.29 176.09 3hei n LEU 43 N 0.97 0.10 0.00 3.68 7.94 -1.26 -0.60 117.00 127.83 3hei n LEU 43 Ca -0.05 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 3hei n LEU 43 Cb 0.51 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.44 3hei n LEU 43 CO 0.43 -2.03 0.00 0.59 -1.11 0.00 0.00 177.39 175.27 3hei n ASN 44 N 1.81 0.00 -4.58 1.96 3.02 0.12 -4.76 115.26 112.82 3hei n ASN 44 Ca 0.18 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.44 3hei n ASN 44 Cb 0.18 -0.05 0.21 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 -3.13 1.83 0.06 6.41 1.01 0.23 0.32 116.67 123.40 3hei s ASP 45 Ca 0.00 1.43 0.09 0.00 0.71 0.00 0.00 52.55 54.78 3hei s ASP 45 Cb 0.00 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 3hei s ASP 45 CO 0.00 -3.66 -0.24 -0.31 0.21 0.00 0.00 175.17 171.17 3hei s TYR 46 N -2.68 2.39 -0.17 4.23 1.51 -0.63 -0.31 117.35 121.69 3hei s TYR 46 Ca 0.67 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 56.34 3hei s TYR 46 Cb -0.22 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 3hei s TYR 46 CO 0.61 0.20 -0.08 0.54 -1.11 0.00 0.00 175.55 175.71 3hei s VAL 47 N -0.88 3.34 -0.39 0.71 0.11 -0.35 -1.32 120.40 121.62 3hei s VAL 47 Ca 0.13 -0.54 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 3hei s VAL 47 Cb -0.10 -2.46 0.06 0.00 -1.53 0.00 0.00 36.38 32.34 3hei s VAL 47 CO 0.04 0.48 0.21 -1.81 -3.33 0.00 0.00 175.10 170.69 3hei s ASP 48 N 0.80 5.59 -0.42 3.54 1.01 0.18 -1.65 116.67 125.72 3hei s ASP 48 Ca -0.03 -1.30 -0.24 0.00 0.71 0.00 0.00 52.55 51.70 3hei s ASP 48 Cb -0.15 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.83 3hei s ASP 48 CO 0.01 -0.45 0.83 -0.63 0.21 0.00 0.00 175.17 175.14 3hei s ILE 49 N 1.45 4.63 -0.27 0.77 1.01 0.75 -0.46 121.20 129.07 3hei s ILE 49 Ca 0.02 0.72 -0.17 0.00 0.00 0.00 0.00 60.65 61.22 3hei s ILE 49 Cb -0.21 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3hei s ILE 49 CO 0.03 -0.64 0.45 -0.63 0.00 0.00 0.00 174.94 174.16 3hei s ILE 50 N 3.36 5.11 0.57 2.92 -1.09 0.32 -1.37 121.20 131.02 3hei s ILE 50 Ca 0.33 0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 59.26 3hei s ILE 50 Cb -0.12 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 3hei s ILE 50 CO 0.21 0.09 1.11 0.00 -1.23 0.00 0.00 174.94 175.12 3hei n PRO 52 N -1.62 1.21 -3.86 0.00 -0.02 -1.25 -4.61 135.00 124.86 3hei n PRO 52 Ca 0.11 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 3hei n PRO 52 Cb 0.51 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.22 -0.02 -0.00 6.00 2.46 -1.26 -4.55 115.29 116.70 3hei s HIS 53 Ca 0.61 0.02 0.00 0.00 0.47 0.00 0.00 55.06 56.16 3hei s HIS 53 Cb -0.62 -0.02 -0.00 0.00 -0.13 0.00 0.00 32.58 31.81 3hei s HIS 53 CO 0.58 -0.23 -0.02 0.71 -2.47 0.00 0.00 174.74 173.31 3hei s TYR 54 N -0.99 0.14 0.48 3.88 1.51 0.43 -5.02 117.35 117.77 3hei s TYR 54 Ca -0.11 -0.03 -0.21 0.00 -1.01 0.00 0.00 57.07 55.72 3hei s TYR 54 Cb -0.06 -0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.62 3hei s TYR 54 CO 0.01 -0.00 1.06 -1.21 -1.11 0.00 0.00 175.55 174.30 3hei s GLU 55 N -0.03 3.79 0.09 -0.62 2.02 -1.26 -4.49 118.70 118.20 3hei s GLU 55 Ca 0.01 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.39 3hei s GLU 55 Cb -0.01 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.17 3hei s GLU 55 CO -0.00 -0.45 0.58 -0.25 0.02 0.00 0.00 175.26 175.15 3hei n ASP 56 N -0.85 -0.20 -3.72 -0.19 9.92 -1.26 -3.90 116.55 116.35 3hei n ASP 56 Ca 0.09 0.65 -0.20 0.00 -0.53 0.00 0.00 54.79 54.79 3hei n ASP 56 Cb 0.52 -0.16 -0.18 0.00 -0.64 0.00 0.00 41.12 40.65 3hei n ASP 56 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3hei s HIS 57 N -5.39 0.26 0.00 1.24 3.76 -1.26 -4.88 115.29 109.01 3hei s HIS 57 Ca -0.05 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 3hei s HIS 57 Cb 0.08 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.22 3hei s HIS 57 CO 0.27 -0.22 0.00 -1.13 -0.85 0.00 0.00 174.74 172.81 3hei n SER 58 N 5.09 0.00 -4.15 1.40 3.41 -1.25 -5.13 113.62 112.99 3hei n SER 58 Ca -0.08 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.30 3hei n SER 58 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.85 1.28 0.44 -3.33 1.01 -1.26 -5.12 120.40 112.56 3hei s VAL 59 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3hei s VAL 59 Cb 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.23 3hei s VAL 59 CO 0.00 0.32 1.38 0.00 0.00 0.00 0.00 175.10 176.80 3hei s ALA 60 N -0.43 3.22 0.27 5.51 0.00 -1.26 -4.91 121.76 124.15 3hei s ALA 60 Ca 0.06 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3hei s ALA 60 Cb -0.06 -3.55 0.56 0.00 0.00 0.00 0.00 23.12 20.06 3hei s ALA 60 CO -0.00 -1.07 1.79 -0.44 0.00 0.00 0.00 175.76 176.04 3hei h ASP 61 N 2.38 0.71 -0.73 0.00 3.32 -1.98 -1.74 116.42 118.39 3hei h ASP 61 Ca -0.50 0.07 0.12 0.00 0.02 0.00 0.00 57.03 56.74 3hei h ASP 61 Cb 1.26 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3hei h ASP 61 CO 0.61 0.33 0.48 0.00 -1.72 0.00 0.00 179.24 178.94 3hei h ALA 62 N 1.55 1.97 0.00 3.45 0.00 -2.05 -1.93 119.26 122.25 3hei h ALA 62 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hei h ALA 62 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hei h ALA 62 CO -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3hei n ALA 63 N -2.49 2.50 -2.63 0.00 0.00 -0.66 -4.80 120.51 112.43 3hei n ALA 63 Ca 0.13 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 3hei n ALA 63 Cb 0.42 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.51 4.31 0.39 0.00 1.00 -0.73 -5.00 119.30 116.77 3hei s MET 64 Ca 0.31 1.42 -0.26 0.00 0.00 0.00 0.00 55.69 57.15 3hei s MET 64 Cb 0.20 -3.62 -0.09 0.00 0.00 0.00 0.00 34.83 31.32 3hei s MET 64 CO 0.45 -0.54 1.29 -1.21 0.00 0.00 0.00 175.02 175.01 3hei s GLU 65 N 2.85 4.04 -0.06 2.03 2.02 -1.26 -4.99 118.70 123.33 3hei s GLU 65 Ca 0.47 2.14 -0.08 0.00 0.02 0.00 0.00 54.97 57.52 3hei s GLU 65 Cb -0.17 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.28 3hei s GLU 65 CO 0.11 -0.43 0.20 -0.65 0.02 0.00 0.00 175.26 174.51 3hei s GLN 66 N -2.17 0.30 0.04 1.61 -0.21 -1.26 -4.68 119.66 113.28 3hei s GLN 66 Ca 0.56 0.16 0.00 0.00 0.02 0.00 0.00 55.36 56.10 3hei s GLN 66 Cb -0.38 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 33.74 3hei s GLN 66 CO 0.49 -0.05 -0.04 0.71 -2.12 0.00 0.00 175.29 174.27 3hei s TYR 67 N -0.18 0.48 -0.12 0.91 2.02 -0.72 -1.49 117.35 118.25 3hei s TYR 67 Ca -0.03 -0.71 -0.13 0.00 -0.37 0.00 0.00 57.07 55.84 3hei s TYR 67 Cb -0.03 -0.32 -0.05 0.00 -0.40 0.00 0.00 41.96 41.16 3hei s TYR 67 CO 0.01 -0.21 0.28 0.42 -1.57 0.00 0.00 175.55 174.48 3hei s ILE 68 N -2.34 5.29 -0.11 2.71 1.01 0.43 -0.02 121.20 128.17 3hei s ILE 68 Ca -0.06 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.10 3hei s ILE 68 Cb -0.04 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3hei s ILE 68 CO -0.03 0.47 0.02 -0.76 0.00 0.00 0.00 174.94 174.64 3hei s LEU 69 N -0.14 3.65 0.04 2.97 1.43 -0.17 -1.70 118.68 124.76 3hei s LEU 69 Ca 0.18 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 3hei s LEU 69 Cb -0.14 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hei s LEU 69 CO 0.06 0.33 -0.18 -0.31 0.23 0.00 0.00 176.35 176.47 3hei s TYR 70 N -0.56 1.58 -0.26 0.29 1.51 0.09 0.81 117.35 120.82 3hei s TYR 70 Ca 0.10 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3hei s TYR 70 Cb -0.12 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 3hei s TYR 70 CO 0.02 0.07 0.04 -1.17 -1.11 0.00 0.00 175.55 173.41 3hei s LEU 71 N -1.19 3.47 0.21 -1.29 2.96 -0.47 -1.87 118.68 120.50 3hei s LEU 71 Ca 0.05 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3hei s LEU 71 Cb -0.08 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3hei s LEU 71 CO 0.02 -0.10 0.07 0.68 -1.32 0.00 0.00 176.35 175.69 3hei s VAL 72 N 1.52 0.45 0.79 1.68 -7.23 -0.35 -4.75 120.40 112.51 3hei s VAL 72 Ca 0.04 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 3hei s VAL 72 Cb -0.16 -2.40 0.10 0.00 0.56 0.00 0.00 36.38 34.49 3hei s VAL 72 CO 0.01 -0.19 1.13 -1.61 -0.31 0.00 0.00 175.10 174.13 3hei s GLU 73 N -4.02 1.74 0.28 4.82 0.41 -1.26 -3.77 118.70 116.91 3hei s GLU 73 Ca 0.32 -0.27 0.01 0.00 -0.41 0.00 0.00 54.97 54.63 3hei s GLU 73 Cb 0.07 -2.05 0.53 0.00 -1.78 0.00 0.00 34.13 30.90 3hei s GLU 73 CO 0.09 -1.62 1.86 1.25 -0.49 0.00 0.00 175.26 176.35 3hei h HIS 74 N -0.95 1.14 -0.25 1.61 2.76 -1.96 -1.53 115.15 115.97 3hei h HIS 74 Ca -0.44 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.76 3hei h HIS 74 Cb 1.30 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 3hei h HIS 74 CO -0.05 0.50 0.14 0.93 -1.30 0.00 0.00 177.93 178.15 3hei h GLU 75 N 1.04 0.35 -0.81 5.26 3.07 -1.99 0.93 114.58 122.42 3hei h GLU 75 Ca 0.47 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3hei h GLU 75 Cb 0.39 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 3hei h GLU 75 CO -0.23 0.31 0.49 0.93 -1.40 0.00 0.00 179.01 179.11 3hei h GLU 76 N 0.29 1.09 -0.27 2.33 3.07 -1.65 -0.73 114.58 118.72 3hei h GLU 76 Ca 0.09 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3hei h GLU 76 Cb 0.06 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 3hei h GLU 76 CO -0.01 0.76 0.00 -0.92 -1.40 0.00 0.00 179.01 177.44 3hei h TYR 77 N 1.11 0.51 -0.44 4.33 3.20 -0.66 0.31 116.97 125.34 3hei h TYR 77 Ca 0.29 -0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hei h TYR 77 Cb -0.05 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3hei h TYR 77 CO 0.00 0.62 0.16 1.96 -1.64 0.00 0.00 178.16 179.27 3hei h GLN 78 N 0.25 0.32 0.00 1.82 1.08 -0.64 -1.89 115.11 116.06 3hei h GLN 78 Ca 0.08 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3hei h GLN 78 Cb 0.42 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3hei h GLN 78 CO 0.01 0.21 0.00 1.28 -0.95 0.00 0.00 178.83 179.38 3hei n LEU 79 N -5.01 0.50 -3.66 1.46 4.77 -0.30 -4.93 117.00 109.84 3hei n LEU 79 Ca 0.03 0.59 -0.28 0.00 -0.03 0.00 0.00 56.01 56.32 3hei n LEU 79 Cb 0.17 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3hei n LEU 79 CO 0.26 -0.32 0.02 0.00 -1.33 0.00 0.00 177.39 176.02 3hei s GLN 81 N -6.34 0.01 0.58 0.00 2.00 -0.54 -5.01 119.66 110.36 3hei s GLN 81 Ca 0.54 0.29 -0.18 0.00 -2.00 0.00 0.00 55.36 54.00 3hei s GLN 81 Cb -0.28 -0.24 -0.04 0.00 0.80 0.00 0.00 33.01 33.25 3hei s GLN 81 CO 0.67 -0.19 1.14 -1.25 -0.50 0.00 0.00 175.29 175.16 3hei s PRO 82 N 1.24 3.17 0.14 1.67 0.04 -1.26 -4.51 135.00 135.49 3hei s PRO 82 Ca -0.08 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 3hei s PRO 82 Cb -0.12 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3hei s PRO 82 CO -0.04 -1.00 1.32 0.37 0.04 0.00 0.00 177.00 177.69 3hei h GLN 83 N 0.91 0.30 -2.87 4.56 4.15 -1.98 -3.48 115.11 116.69 3hei h GLN 83 Ca -0.49 -0.34 0.08 0.00 0.77 0.00 0.00 58.65 58.66 3hei h GLN 83 Cb 1.27 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.99 3hei h GLN 83 CO 0.56 1.04 0.28 -1.54 -1.93 0.00 0.00 178.83 177.24 3hei s SER 84 N -7.01 -0.29 0.47 -0.69 1.04 -1.26 -5.02 113.70 100.93 3hei s SER 84 Ca -0.04 -0.47 0.17 0.00 0.48 0.00 0.00 55.95 56.09 3hei s SER 84 Cb 0.09 0.66 1.15 0.00 0.10 0.00 0.00 66.02 68.02 3hei s SER 84 CO 0.85 -1.20 2.00 0.50 0.98 0.00 0.00 173.24 176.36 3hei h LYS 85 N 2.00 0.26 0.00 4.02 1.63 -2.01 -2.06 116.57 120.41 3hei h LYS 85 Ca -0.22 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3hei h LYS 85 Cb 1.26 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3hei h LYS 85 CO 0.26 0.17 0.12 -0.44 -3.45 0.00 0.00 179.45 176.11 3hei h ASP 86 N 0.27 0.00 -0.06 4.20 3.45 -2.01 -2.13 116.42 120.14 3hei h ASP 86 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3hei h ASP 86 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 3hei h ASP 86 CO -0.05 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.62 3hei n GLN 87 N -2.91 1.46 -1.72 3.56 6.02 -0.78 -4.89 117.38 118.12 3hei n GLN 87 Ca -0.02 -0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 55.86 3hei n GLN 87 Cb 0.18 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 3hei n GLN 87 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hei s VAL 88 N -1.93 2.26 -0.23 5.09 1.01 -0.81 -1.36 120.40 124.42 3hei s VAL 88 Ca 0.36 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3hei s VAL 88 Cb 0.19 -3.02 -0.15 0.00 0.00 0.00 0.00 36.38 33.40 3hei s VAL 88 CO 0.30 0.00 -0.21 -1.14 0.00 0.00 0.00 175.10 174.05 3hei n ARG 89 N 4.75 0.58 -3.49 2.72 3.00 0.24 -4.82 116.66 119.64 3hei n ARG 89 Ca 0.17 0.14 -0.09 0.00 -0.00 0.00 0.00 57.85 58.07 3hei n ARG 89 Cb 0.36 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.47 -0.37 -0.13 -0.14 -0.11 -1.10 -5.01 118.94 109.61 3hei s TRP 90 Ca -0.32 0.24 -0.00 0.00 1.22 0.00 0.00 56.10 57.24 3hei s TRP 90 Cb 0.08 0.54 -0.02 0.00 -1.50 0.00 0.00 33.47 32.58 3hei s TRP 90 CO 0.53 -0.58 -0.12 -0.65 -4.62 0.00 0.00 176.95 171.52 3hei s GLN 91 N -3.15 3.35 -1.28 5.86 -0.21 -1.26 -1.00 119.66 121.96 3hei s GLN 91 Ca 0.04 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.66 3hei s GLN 91 Cb -0.01 -2.64 0.16 0.00 1.00 0.00 0.00 33.01 31.52 3hei s GLN 91 CO -0.09 0.25 1.91 0.00 -2.12 0.00 0.00 175.29 175.24 3hei n ASN 93 N 3.76 2.95 -3.23 0.00 0.23 -1.26 -1.76 115.26 115.95 3hei n ASN 93 Ca 0.41 -3.34 -0.25 0.00 -0.53 0.00 0.00 54.58 50.87 3hei n ASN 93 Cb 0.36 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.45 3hei n ASN 93 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hei n ARG 94 N -0.95 1.84 0.29 -3.83 1.74 -1.26 -4.97 116.66 109.52 3hei n ARG 94 Ca 0.24 -4.05 0.16 0.00 -0.77 0.00 0.00 57.85 53.43 3hei n ARG 94 Cb 0.87 -1.84 0.90 0.00 -1.02 0.00 0.00 32.46 31.37 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 3.74 0.00 -0.03 5.56 0.13 -1.85 -2.60 132.00 136.95 3hei h PRO 95 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3hei h PRO 95 Cb 0.75 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.78 3hei h PRO 95 CO 0.66 0.05 -0.63 -1.13 -0.23 0.00 0.00 178.00 176.72 3hei n SER 96 N -3.52 1.69 -4.59 1.44 3.41 -1.26 -0.43 113.62 110.36 3hei n SER 96 Ca -0.02 -3.50 -0.51 0.00 -0.26 0.00 0.00 58.87 54.58 3hei n SER 96 Cb 0.16 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 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 -0.77 -0.94 -0.13 7.33 0.00 -0.98 -4.88 120.51 120.14 3hei n ALA 97 Ca 0.17 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 54.07 3hei n ALA 97 Cb 0.79 -2.06 0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 4.22 0.19 0.00 0.00 1.57 -1.96 -2.92 116.57 117.68 3hei h LYS 98 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3hei h LYS 98 Cb 1.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3hei h LYS 98 CO 0.75 0.13 0.00 1.12 -0.57 0.00 0.00 179.45 180.88 3hei h HIS 99 N 0.20 0.00 0.00 -1.35 2.07 -2.01 -3.49 115.15 110.57 3hei h HIS 99 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 3hei h HIS 99 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 3hei h HIS 99 CO -0.22 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.05 3hei n GLY 100 N 0.37 2.22 3.64 6.13 0.00 -1.10 -5.11 105.19 111.33 3hei n GLY 100 Ca 0.03 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.55 1.69 -1.81 1.61 -0.02 -1.26 -4.58 135.00 129.08 3hei n PRO 101 Ca 0.00 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 3hei n PRO 101 Cb 0.00 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.34 3.36 -0.06 -0.52 2.56 -1.26 -4.89 118.70 116.55 3hei s GLU 102 Ca 0.61 2.27 -0.02 0.00 0.00 0.00 0.00 54.97 57.83 3hei s GLU 102 Cb -0.67 -2.40 0.04 0.00 2.00 0.00 0.00 34.13 33.10 3hei s GLU 102 CO 0.58 -1.03 0.13 0.21 -0.56 0.00 0.00 175.26 174.59 3hei s LYS 103 N -2.73 0.07 -0.30 4.30 2.20 -1.26 -1.12 119.74 120.90 3hei s LYS 103 Ca 0.67 0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 56.53 3hei s LYS 103 Cb -0.41 -0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 35.72 3hei s LYS 103 CO 0.50 -0.16 0.13 -1.17 -0.36 0.00 0.00 175.35 174.29 3hei s LEU 104 N 1.11 3.96 -0.41 5.43 2.96 -0.47 -4.98 118.68 126.29 3hei s LEU 104 Ca -0.09 -0.45 -0.09 0.00 -0.22 0.00 0.00 54.13 53.28 3hei s LEU 104 Cb -0.11 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.66 3hei s LEU 104 CO -0.05 -0.16 0.24 -0.44 -1.32 0.00 0.00 176.35 174.62 3hei s SER 105 N 1.61 5.61 -0.25 3.68 0.01 -1.26 -0.18 113.70 122.92 3hei s SER 105 Ca 0.05 -1.42 -0.14 0.00 1.31 0.00 0.00 55.95 55.75 3hei s SER 105 Cb -0.17 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 3hei s SER 105 CO 0.06 -0.50 0.34 -0.70 0.41 0.00 0.00 173.24 172.84 3hei s GLU 106 N 1.43 4.05 -0.19 12.44 2.56 -0.66 -4.94 118.70 133.40 3hei s GLU 106 Ca 0.02 0.01 -0.21 0.00 0.00 0.00 0.00 54.97 54.80 3hei s GLU 106 Cb -0.22 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.27 3hei s GLU 106 CO 0.03 -0.17 0.62 0.21 -0.56 0.00 0.00 175.26 175.38 3hei s LYS 107 N 1.74 4.23 -1.49 4.30 2.20 -1.26 -1.21 119.74 128.26 3hei s LYS 107 Ca 0.14 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 3hei s LYS 107 Cb -0.15 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3hei s LYS 107 CO 0.09 -0.20 2.47 1.19 -0.36 0.00 0.00 175.35 178.54 3hei n PHE 108 N 4.89 3.00 -3.39 4.03 3.01 0.58 -4.93 117.46 124.66 3hei n PHE 108 Ca -0.02 -2.99 -0.29 0.00 1.01 0.00 0.00 57.45 55.16 3hei n PHE 108 Cb 0.50 -2.42 -0.03 0.00 -0.01 0.00 0.00 39.48 37.52 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 2.19 3.64 0.09 -1.08 -2.07 -1.26 0.11 119.66 121.28 3hei s GLN 109 Ca 0.55 -0.00 -0.13 0.00 -1.82 0.00 0.00 55.36 53.95 3hei s GLN 109 Cb 0.15 -2.67 -0.19 0.00 -1.09 0.00 0.00 33.01 29.22 3hei s GLN 109 CO -0.07 0.25 1.26 -0.09 -1.32 0.00 0.00 175.29 175.32 3hei h ARG 110 N 1.83 0.76 -5.61 9.60 9.65 -1.92 -0.57 114.38 128.11 3hei h ARG 110 Ca -0.48 -0.69 -0.46 0.00 -1.10 0.00 0.00 59.98 57.25 3hei h ARG 110 Cb 1.19 0.17 -0.22 0.00 -1.39 0.00 0.00 29.97 29.72 3hei h ARG 110 CO 0.67 1.28 -0.80 -0.06 2.80 0.00 0.00 179.97 183.87 3hei s PHE 111 N -3.58 1.40 0.04 2.20 0.08 -1.26 -3.90 117.98 112.95 3hei s PHE 111 Ca -0.10 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.55 3hei s PHE 111 Cb 0.08 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.73 3hei s PHE 111 CO 0.91 0.10 -0.14 -0.08 -0.10 0.00 0.00 175.22 175.92 3hei s THR 112 N -1.22 1.09 -1.24 0.64 -1.32 -1.26 -5.01 115.64 107.31 3hei s THR 112 Ca 0.01 -0.98 0.29 0.00 -1.21 0.00 0.00 61.69 59.80 3hei s THR 112 Cb -0.10 -0.99 0.38 0.00 -1.51 0.00 0.00 72.50 70.29 3hei s THR 112 CO 0.03 0.00 1.97 -0.81 -2.21 0.00 0.00 174.62 173.60 3hei n PRO 113 N 1.92 0.24 -3.69 7.08 -0.04 -1.26 -4.79 135.00 134.46 3hei n PRO 113 Ca -0.18 -0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 3hei n PRO 113 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.76 3.34 0.27 0.54 5.36 -1.26 -5.08 117.98 118.40 3hei s PHE 114 Ca 0.22 -1.64 -0.30 0.00 -0.96 0.00 0.00 56.93 54.25 3hei s PHE 114 Cb 0.20 -2.74 -0.10 0.00 -0.34 0.00 0.00 43.02 40.03 3hei s PHE 114 CO 0.50 -0.83 1.40 0.95 -1.46 0.00 0.00 175.22 175.78 3hei s THR 115 N 1.37 2.69 0.00 0.12 -4.23 -1.26 -0.68 115.64 113.65 3hei s THR 115 Ca 0.02 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 3hei s THR 115 Cb -0.22 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.23 3hei s THR 115 CO 0.01 0.11 0.00 0.18 -0.54 0.00 0.00 174.62 174.38 3hei n LEU 116 N 1.88 0.00 -4.95 4.79 4.77 -1.26 -5.06 117.00 117.16 3hei n LEU 116 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 3hei n LEU 116 Cb 0.41 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 3hei n LEU 116 CO 0.60 0.00 0.61 -0.83 -1.33 0.00 0.00 177.39 176.44 3hei s GLY 117 N -2.19 1.73 -0.00 -0.72 0.00 0.15 -5.10 107.32 101.19 3hei s GLY 117 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.58 3hei s GLY 117 CO 0.00 -0.71 -0.16 1.25 0.00 0.00 0.00 173.10 173.47 3hei s LYS 118 N -5.26 2.28 -0.09 2.90 2.47 -1.26 -5.02 119.74 115.76 3hei s LYS 118 Ca 0.63 -0.84 -0.04 0.00 -1.56 0.00 0.00 55.97 54.16 3hei s LYS 118 Cb -0.08 -2.28 -0.04 0.00 -1.46 0.00 0.00 37.83 33.97 3hei s LYS 118 CO 0.45 0.58 0.09 -1.21 0.16 0.00 0.00 175.35 175.42 3hei s GLU 119 N -1.09 3.23 0.03 4.03 2.02 -1.26 -4.77 118.70 120.90 3hei s GLU 119 Ca 0.13 -0.28 0.08 0.00 0.02 0.00 0.00 54.97 54.93 3hei s GLU 119 Cb -0.11 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3hei s GLU 119 CO 0.03 0.73 -0.24 -0.06 0.02 0.00 0.00 175.26 175.75 3hei s PHE 120 N -1.01 2.10 0.10 1.61 0.40 -0.22 -5.01 117.98 115.94 3hei s PHE 120 Ca 0.16 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3hei s PHE 120 Cb -0.12 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 3hei s PHE 120 CO 0.05 0.09 -0.19 0.15 0.70 0.00 0.00 175.22 176.02 3hei s LYS 121 N -1.10 1.05 0.39 0.44 1.02 -1.26 -3.74 119.74 116.54 3hei s LYS 121 Ca 0.10 -1.12 -0.27 0.00 0.02 0.00 0.00 55.97 54.69 3hei s LYS 121 Cb -0.09 -1.21 -0.11 0.00 -0.52 0.00 0.00 37.83 35.90 3hei s LYS 121 CO 0.01 0.28 1.47 0.39 -0.92 0.00 0.00 175.35 176.58 3hei n GLU 122 N 1.07 2.58 -0.81 1.68 1.02 -1.26 -1.92 120.64 123.00 3hei n GLU 122 Ca -0.19 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 3hei n GLU 122 Cb 0.54 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 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 0.48 1.19 3.74 0.62 0.00 0.38 -4.82 105.19 106.78 3hei n GLY 123 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.73 2.94 0.16 1.61 3.76 -0.81 -4.92 115.29 114.31 3hei s HIS 124 Ca 0.00 -0.14 0.09 0.00 -0.15 0.00 0.00 55.06 54.85 3hei s HIS 124 Cb 0.00 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3hei s HIS 124 CO 0.00 0.55 -0.10 -1.12 -0.85 0.00 0.00 174.74 173.22 3hei s SER 125 N -3.59 4.23 0.10 1.40 0.01 -1.26 -0.08 113.70 114.50 3hei s SER 125 Ca 0.31 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 57.05 3hei s SER 125 Cb -0.08 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 3hei s SER 125 CO 0.22 0.12 -0.08 -0.31 0.41 0.00 0.00 173.24 173.60 3hei s TYR 126 N -1.59 0.97 -0.02 2.43 2.02 0.15 -4.97 117.35 116.35 3hei s TYR 126 Ca 0.24 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3hei s TYR 126 Cb -0.09 -0.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 3hei s TYR 126 CO 0.14 -0.06 -0.03 0.71 -1.57 0.00 0.00 175.55 174.75 3hei s TYR 127 N -2.93 0.39 -0.01 2.71 1.51 -1.25 -0.30 117.35 117.48 3hei s TYR 127 Ca 0.08 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 3hei s TYR 127 Cb 0.00 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 3hei s TYR 127 CO -0.02 -0.07 -0.23 0.71 -1.11 0.00 0.00 175.55 174.82 3hei s TYR 128 N 0.44 2.41 0.16 2.71 2.02 -0.07 -1.22 117.35 123.81 3hei s TYR 128 Ca -0.05 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3hei s TYR 128 Cb -0.08 -1.50 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 3hei s TYR 128 CO -0.01 0.05 -0.02 0.96 -1.57 0.00 0.00 175.55 174.97 3hei s ILE 129 N -0.69 0.76 0.23 2.71 -4.36 -0.78 -0.26 121.20 118.80 3hei s ILE 129 Ca 0.11 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.59 3hei s ILE 129 Cb -0.10 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 3hei s ILE 129 CO 0.00 -0.56 -0.12 -0.94 0.24 0.00 0.00 174.94 173.57 3hei s SER 130 N -3.16 2.61 0.03 4.36 1.04 -0.88 -0.73 113.70 116.97 3hei s SER 130 Ca 0.22 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.62 3hei s SER 130 Cb 0.06 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 3hei s SER 130 CO 0.03 -0.23 -0.16 -0.54 0.98 0.00 0.00 173.24 173.32 3hei s LYS 131 N -3.67 1.12 0.44 4.02 -0.14 -0.69 -4.67 119.74 116.15 3hei s LYS 131 Ca 0.25 -0.76 -0.23 0.00 -1.36 0.00 0.00 55.97 53.87 3hei s LYS 131 Cb 0.01 -1.15 -0.08 0.00 -1.68 0.00 0.00 37.83 34.93 3hei s LYS 131 CO 0.08 0.29 1.09 -1.25 -0.76 0.00 0.00 175.35 174.81 3hei s PRO 132 N -0.98 3.93 -0.01 -1.68 0.04 -1.26 -0.43 135.00 134.62 3hei s PRO 132 Ca 0.04 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 3hei s PRO 132 Cb -0.08 -2.40 -0.33 0.00 0.04 0.00 0.00 34.50 31.74 3hei s PRO 132 CO 0.01 -0.36 0.96 0.82 0.04 0.00 0.00 177.00 178.47 3hei h ILE 133 N 1.94 1.40 0.00 0.56 2.04 -1.60 -3.43 117.51 118.41 3hei h ILE 133 Ca -0.49 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 62.79 3hei h ILE 133 Cb 1.23 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 3hei h ILE 133 CO 0.61 0.75 -0.71 1.41 0.00 0.00 0.00 178.15 180.21 3hei n HIS 134 N -3.94 0.00 -1.73 1.37 8.25 -1.26 -5.08 115.22 112.82 3hei n HIS 134 Ca -0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.99 3hei n HIS 134 Cb 0.95 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.09 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 -1.56 3.02 0.04 -0.41 -0.21 -1.26 -5.01 119.66 114.27 3hei s GLN 135 Ca 0.00 1.08 -0.30 0.00 0.02 0.00 0.00 55.36 56.16 3hei s GLN 135 Cb 0.00 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.95 3hei s GLN 135 CO 0.00 -1.04 1.44 -1.58 -2.12 0.00 0.00 175.29 171.99 3hei s HIS 136 N -2.78 2.87 -0.90 0.91 5.65 -1.26 -4.72 115.29 115.05 3hei s HIS 136 Ca 0.61 0.77 -0.24 0.00 0.25 0.00 0.00 55.06 56.44 3hei s HIS 136 Cb -0.15 -3.71 -0.04 0.00 -1.18 0.00 0.00 32.58 27.49 3hei s HIS 136 CO 0.48 -2.65 1.92 -2.00 -0.65 0.00 0.00 174.74 171.83 3hei s GLU 137 N 2.15 2.62 0.33 2.88 2.12 -1.26 -4.78 118.70 122.75 3hei s GLU 137 Ca 0.66 -0.33 0.06 0.00 0.36 0.00 0.00 54.97 55.72 3hei s GLU 137 Cb -0.34 -5.07 0.57 0.00 0.26 0.00 0.00 34.13 29.55 3hei s GLU 137 CO 0.28 -3.30 1.81 0.22 -0.54 0.00 0.00 175.26 173.73 3hei h ASP 138 N 11.25 0.36 -4.92 -1.70 1.82 -2.05 -3.48 116.42 117.70 3hei h ASP 138 Ca 0.10 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3hei h ASP 138 Cb 1.01 -0.10 -0.13 0.00 0.68 0.00 0.00 39.33 40.79 3hei h ASP 138 CO 1.22 0.57 0.26 0.00 -1.61 0.00 0.00 179.24 179.69 3hei s ARG 139 N -4.59 1.17 -0.23 0.28 1.70 -1.26 -5.15 118.95 110.87 3hei s ARG 139 Ca -0.06 -0.36 -0.25 0.00 -0.47 0.00 0.00 55.73 54.59 3hei s ARG 139 Cb 0.15 0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 35.06 3hei s ARG 139 CO 0.76 -0.50 0.85 0.00 -1.08 0.00 0.00 175.30 175.33 3hei s LEU 141 N 2.78 3.98 0.23 0.00 1.43 -1.26 -4.76 118.68 121.08 3hei s LEU 141 Ca 0.36 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.33 3hei s LEU 141 Cb -0.15 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3hei s LEU 141 CO 0.08 0.06 0.59 0.00 0.23 0.00 0.00 176.35 177.30 3hei s ARG 142 N 1.10 1.54 -0.11 1.70 1.70 -1.26 -2.07 118.95 121.54 3hei s ARG 142 Ca 0.07 -0.94 -0.06 0.00 -0.47 0.00 0.00 55.73 54.33 3hei s ARG 142 Cb -0.14 0.55 0.05 0.00 -0.57 0.00 0.00 34.95 34.84 3hei s ARG 142 CO 0.05 -0.67 0.26 -1.17 -1.08 0.00 0.00 175.30 172.69 3hei s LEU 143 N -2.90 0.29 -0.17 -1.89 2.96 0.64 -4.54 118.68 113.07 3hei s LEU 143 Ca 0.11 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3hei s LEU 143 Cb -0.03 0.79 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 3hei s LEU 143 CO 0.02 -0.18 0.10 -0.75 -1.32 0.00 0.00 176.35 174.23 3hei s LYS 144 N 1.39 3.85 -0.16 1.98 2.20 -0.35 -0.89 119.74 127.76 3hei s LYS 144 Ca -0.08 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3hei s LYS 144 Cb -0.10 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3hei s LYS 144 CO -0.09 0.45 -0.16 0.08 -0.36 0.00 0.00 175.35 175.27 3hei s VAL 145 N -0.10 1.74 -0.19 4.02 1.01 0.59 -0.72 120.40 126.75 3hei s VAL 145 Ca 0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3hei s VAL 145 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3hei s VAL 145 CO 0.00 0.48 -0.01 -0.89 0.00 0.00 0.00 175.10 174.69 3hei s THR 146 N 1.42 3.91 -0.13 3.92 2.01 -0.06 0.33 115.64 127.04 3hei s THR 146 Ca 0.05 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.50 3hei s THR 146 Cb -0.13 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 3hei s THR 146 CO -0.11 0.44 0.65 -0.69 -0.69 0.00 0.00 174.62 174.21 3hei s VAL 147 N 0.93 5.05 0.60 3.82 1.01 0.88 -1.08 120.40 131.62 3hei s VAL 147 Ca 0.01 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.13 3hei s VAL 147 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3hei s VAL 147 CO 0.02 0.20 1.04 -1.59 0.00 0.00 0.00 175.10 174.76 3hei s LYS 148 N 1.27 3.39 0.00 2.72 -2.85 0.41 -0.47 119.74 124.21 3hei s LYS 148 Ca 0.33 1.05 0.29 0.00 -1.00 0.00 0.00 55.97 56.63 3hei s LYS 148 Cb -0.16 -2.05 1.20 0.00 -2.06 0.00 0.00 37.83 34.76 3hei s LYS 148 CO 0.14 -0.74 1.83 -0.89 0.10 0.00 0.00 175.35 175.79