#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrs n LEU 2 N 0.00 0.14 -0.83 0.99 7.94 -1.26 0.82 117.00 124.81 1vrs n LEU 2 Ca 0.00 0.47 0.13 0.00 -1.11 0.00 0.00 56.01 55.50 1vrs n LEU 2 Cb 0.00 -0.47 0.22 0.00 0.53 0.00 0.00 43.42 43.70 1vrs n LEU 2 CO 0.00 -0.52 0.70 0.49 -1.11 0.00 0.00 177.39 176.95 1vrs n PHE 3 N -1.64 0.00 -1.64 1.96 3.72 -1.26 -4.55 117.46 114.05 1vrs n PHE 3 Ca -0.00 -0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1vrs n PHE 3 Cb 0.14 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1vrs n PHE 3 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1vrs n ASP 4 N 1.02 8.19 -3.52 4.37 8.00 0.24 -4.86 116.55 130.00 1vrs n ASP 4 Ca 0.15 -2.87 -0.15 0.00 0.71 0.00 0.00 54.79 52.64 1vrs n ASP 4 Cb 0.53 -1.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.14 1vrs n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vrs s ALA 5 N 0.33 -1.80 0.68 2.24 0.00 -1.26 -5.09 121.76 116.87 1vrs s ALA 5 Ca 0.62 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.73 1vrs s ALA 5 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1vrs s ALA 5 CO -0.08 -0.43 1.06 -2.14 0.00 0.00 0.00 175.76 174.17 1vrs s PRO 6 N -1.64 3.06 0.00 0.00 0.02 -1.26 -3.49 135.00 131.69 1vrs s PRO 6 Ca -0.06 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.73 1vrs s PRO 6 Cb -0.00 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1vrs s PRO 6 CO 0.03 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 1vrs n GLY 7 N -2.42 1.35 3.36 0.52 0.00 -1.26 -4.98 105.19 101.77 1vrs n GLY 7 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1vrs n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vrs s ARG 8 N -0.12 2.32 -0.04 1.61 0.52 -1.23 -5.12 118.95 116.90 1vrs s ARG 8 Ca 0.00 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1vrs s ARG 8 Cb 0.00 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 1vrs s ARG 8 CO 0.00 0.55 -0.22 0.45 0.02 0.00 0.00 175.30 176.10 1vrs s SER 9 N -0.58 2.68 0.07 0.23 0.15 -1.26 -4.91 113.70 110.08 1vrs s SER 9 Ca 0.09 -0.43 0.22 0.00 0.70 0.00 0.00 55.95 56.53 1vrs s SER 9 Cb -0.11 -0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 63.53 1vrs s SER 9 CO 0.00 0.23 0.88 1.67 1.20 0.00 0.00 173.24 177.22 1vrs n GLN 10 N 2.87 0.48 -3.96 5.44 7.27 -1.26 -4.96 117.38 123.25 1vrs n GLN 10 Ca -0.17 -0.02 -0.33 0.00 0.07 0.00 0.00 57.00 56.56 1vrs n GLN 10 Cb 0.52 -1.64 -0.05 0.00 2.41 0.00 0.00 30.24 31.48 1vrs n GLN 10 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1vrs s PHE 11 N -3.33 3.46 0.49 3.69 0.08 -1.26 -5.12 117.98 116.00 1vrs s PHE 11 Ca -0.01 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.34 1vrs s PHE 11 Cb 0.13 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1vrs s PHE 11 CO 0.83 0.61 0.71 0.14 -0.10 0.00 0.00 175.22 177.40 1vrs s VAL 12 N -1.34 3.40 0.60 -0.44 -7.23 -1.26 -5.05 120.40 109.08 1vrs s VAL 12 Ca 0.28 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.66 1vrs s VAL 12 Cb -0.13 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1vrs s VAL 12 CO 0.20 -0.18 1.25 -2.65 -0.31 0.00 0.00 175.10 173.41 1vrs n PRO 13 N -2.18 1.27 -0.26 4.82 -0.02 -1.26 -4.70 135.00 132.68 1vrs n PRO 13 Ca 0.04 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1vrs n PRO 13 Cb 0.59 -2.47 0.17 0.00 -0.02 0.00 0.00 33.50 31.77 1vrs n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vrs h ALA 14 N 0.84 0.84 0.00 3.55 0.00 -1.96 0.29 119.26 122.81 1vrs h ALA 14 Ca -0.50 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1vrs h ALA 14 Cb 1.33 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1vrs h ALA 14 CO 0.54 -0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1vrs n ASP 15 N -5.30 0.00 -0.05 0.00 9.92 -1.26 -0.91 116.55 118.95 1vrs n ASP 15 Ca 0.14 -0.25 0.01 0.00 -0.53 0.00 0.00 54.79 54.17 1vrs n ASP 15 Cb 0.48 -0.17 -0.15 0.00 -0.64 0.00 0.00 41.12 40.64 1vrs n ASP 15 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1vrs n GLN 16 N -1.17 0.75 0.07 -1.24 7.27 0.90 -3.86 117.38 120.11 1vrs n GLN 16 Ca 0.12 -0.10 -0.19 0.00 0.07 0.00 0.00 57.00 56.90 1vrs n GLN 16 Cb 0.12 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 31.14 1vrs n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1vrs h ALA 17 N 1.43 0.21 -2.99 1.69 0.00 -0.55 -3.41 119.26 115.64 1vrs h ALA 17 Ca -0.24 -1.09 -0.61 0.00 0.00 0.00 0.00 54.91 52.96 1vrs h ALA 17 Cb 1.52 0.30 -0.40 0.00 0.00 0.00 0.00 17.79 19.20 1vrs h ALA 17 CO 0.01 1.08 -0.73 -0.06 0.00 0.00 0.00 179.25 179.55 1vrs s PHE 18 N -2.61 2.18 -0.58 0.00 0.08 -0.09 -0.19 117.98 116.77 1vrs s PHE 18 Ca -0.10 -2.57 -0.28 0.00 0.12 0.00 0.00 56.93 54.10 1vrs s PHE 18 Cb 0.06 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1vrs s PHE 18 CO 0.86 -0.76 1.36 0.00 -0.10 0.00 0.00 175.22 176.58 1vrs s ALA 19 N 0.10 2.83 0.32 5.36 0.00 0.19 -4.50 121.76 126.08 1vrs s ALA 19 Ca 0.19 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1vrs s ALA 19 Cb -0.21 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.73 1vrs s ALA 19 CO -0.03 -2.92 0.70 0.12 0.00 0.00 0.00 175.76 173.63 1vrs s PHE 20 N 5.84 3.41 -0.04 0.00 5.36 -1.26 0.07 117.98 131.36 1vrs s PHE 20 Ca 0.49 1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 57.24 1vrs s PHE 20 Cb -0.10 -2.44 0.11 0.00 -0.34 0.00 0.00 43.02 40.25 1vrs s PHE 20 CO 0.24 0.09 1.05 0.34 -1.46 0.00 0.00 175.22 175.48 1vrs s ASP 21 N -2.53 -0.22 0.13 6.13 -1.08 0.29 -4.98 116.67 114.41 1vrs s ASP 21 Ca 0.52 -0.09 -0.10 0.00 -0.52 0.00 0.00 52.55 52.36 1vrs s ASP 21 Cb -0.10 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.65 1vrs s ASP 21 CO 0.22 -0.51 0.27 0.72 0.52 0.00 0.00 175.17 176.39 1vrs s PHE 22 N -2.84 0.20 -0.15 -5.34 -0.12 -1.26 0.04 117.98 108.52 1vrs s PHE 22 Ca 0.09 -0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 1vrs s PHE 22 Cb -0.00 -0.00 0.05 0.00 -0.63 0.00 0.00 43.02 42.44 1vrs s PHE 22 CO -0.05 -0.65 0.37 -0.65 -0.05 0.00 0.00 175.22 174.18 1vrs s GLN 23 N -3.90 0.37 0.14 1.99 -0.21 -0.81 -4.98 119.66 112.27 1vrs s GLN 23 Ca 0.10 0.65 0.11 0.00 0.02 0.00 0.00 55.36 56.24 1vrs s GLN 23 Cb 0.04 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 1vrs s GLN 23 CO -0.06 -0.13 -0.25 -1.14 -2.12 0.00 0.00 175.29 171.59 1vrs s GLN 24 N 1.00 1.39 -0.39 2.91 0.74 -1.26 -0.43 119.66 123.63 1vrs s GLN 24 Ca -0.07 -1.37 0.05 0.00 0.05 0.00 0.00 55.36 54.02 1vrs s GLN 24 Cb -0.07 -1.81 0.17 0.00 1.10 0.00 0.00 33.01 32.40 1vrs s GLN 24 CO -0.08 0.42 0.48 1.21 -0.55 0.00 0.00 175.29 176.77 1vrs s ASN 25 N -2.21 0.02 1.95 6.67 3.84 0.94 -5.00 114.94 121.15 1vrs s ASN 25 Ca 0.15 -1.24 0.00 0.00 0.21 0.00 0.00 52.86 51.98 1vrs s ASN 25 Cb -0.09 1.16 0.00 0.00 -0.55 0.00 0.00 41.25 41.76 1vrs s ASN 25 CO 0.07 -0.22 0.00 0.00 -2.79 0.00 0.00 177.10 174.16 1vrs n GLN 26 N 4.32 0.00 0.00 0.43 3.00 -1.26 -1.19 117.38 122.68 1vrs n GLN 26 Ca 0.11 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.20 1vrs n GLN 26 Cb 0.50 0.00 0.54 0.00 0.00 0.00 0.00 30.24 31.28 1vrs n GLN 26 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1vrs n HIS 27 N 13.90 0.00 -3.61 1.08 8.25 -1.26 -4.69 115.22 128.90 1vrs n HIS 27 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 1vrs n HIS 27 Cb 0.00 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 1vrs n HIS 27 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1vrs s ASP 28 N -2.31 5.71 -0.05 0.41 1.01 -0.33 0.57 116.67 121.67 1vrs s ASP 28 Ca 0.24 -0.63 0.05 0.00 0.71 0.00 0.00 52.55 52.92 1vrs s ASP 28 Cb 0.13 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 1vrs s ASP 28 CO 0.27 -0.26 -0.21 -0.22 0.21 0.00 0.00 175.17 174.96 1vrs s LEU 29 N 1.62 2.30 -0.27 1.23 2.96 0.32 -0.04 118.68 126.80 1vrs s LEU 29 Ca 0.04 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1vrs s LEU 29 Cb -0.18 -1.43 0.07 0.00 0.50 0.00 0.00 46.19 45.15 1vrs s LEU 29 CO 0.07 0.28 -0.08 0.21 -1.32 0.00 0.00 176.35 175.51 1vrs s ASN 30 N -0.36 4.47 -0.06 3.68 2.47 0.43 0.73 114.94 126.30 1vrs s ASN 30 Ca 0.03 -1.51 -0.18 0.00 0.42 0.00 0.00 52.86 51.61 1vrs s ASN 30 Cb -0.12 -1.54 -0.05 0.00 -1.45 0.00 0.00 41.25 38.09 1vrs s ASN 30 CO 0.02 -0.22 0.49 -0.76 -3.72 0.00 0.00 177.10 172.91 1vrs s LEU 31 N 1.08 4.36 -0.00 3.21 1.43 0.34 -1.92 118.68 127.19 1vrs s LEU 31 Ca -0.05 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1vrs s LEU 31 Cb -0.20 -2.73 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 1vrs s LEU 31 CO -0.06 0.11 -0.02 -0.89 0.23 0.00 0.00 176.35 175.72 1vrs s THR 32 N -0.02 0.20 -0.11 5.49 2.01 0.11 -0.00 115.64 123.31 1vrs s THR 32 Ca 0.27 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1vrs s THR 32 Cb -0.16 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.19 1vrs s THR 32 CO 0.13 0.06 -0.11 0.26 -0.69 0.00 0.00 174.62 174.27 1vrs s TRP 33 N -0.01 1.70 -0.44 4.92 0.51 -0.64 -0.55 118.94 124.43 1vrs s TRP 33 Ca 0.00 -0.83 -0.21 0.00 -2.12 0.00 0.00 56.10 52.95 1vrs s TRP 33 Cb -0.02 -1.31 0.02 0.00 -0.81 0.00 0.00 33.47 31.36 1vrs s TRP 33 CO -0.00 -0.50 0.65 -0.65 -0.51 0.00 0.00 176.95 175.94 1vrs s GLN 34 N 1.35 3.29 -0.43 4.98 -0.21 0.11 -1.78 119.66 126.98 1vrs s GLN 34 Ca -0.01 -0.35 -0.17 0.00 0.02 0.00 0.00 55.36 54.86 1vrs s GLN 34 Cb -0.14 -3.95 0.02 0.00 1.00 0.00 0.00 33.01 29.95 1vrs s GLN 34 CO -0.05 -1.01 0.43 0.42 -2.12 0.00 0.00 175.29 172.95 1vrs s ILE 35 N 2.84 5.11 0.34 1.08 1.01 0.77 -0.63 121.20 131.70 1vrs s ILE 35 Ca 0.23 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 1vrs s ILE 35 Cb -0.14 -4.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1vrs s ILE 35 CO 0.19 -0.43 1.25 1.17 0.00 0.00 0.00 174.94 177.12 1vrs n LYS 36 N 5.55 2.01 -1.67 2.79 4.81 0.74 -3.56 118.16 128.83 1vrs n LYS 36 Ca -0.08 0.71 -0.48 0.00 -0.87 0.00 0.00 58.31 57.58 1vrs n LYS 36 Cb 0.47 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 33.21 1vrs n LYS 36 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1vrs n ASP 37 N 0.82 3.01 0.00 3.14 -0.08 -1.26 -1.01 116.55 121.16 1vrs n ASP 37 Ca 0.05 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 1vrs n ASP 37 Cb 0.36 -1.36 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1vrs n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1vrs n GLY 38 N 3.71 0.30 3.54 0.27 0.00 -1.26 -5.06 105.19 106.68 1vrs n GLY 38 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1vrs n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vrs s TYR 39 N -2.00 2.30 0.08 1.61 1.51 -0.18 -0.55 117.35 120.12 1vrs s TYR 39 Ca 0.00 -0.66 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 1vrs s TYR 39 Cb 0.00 -1.46 0.07 0.00 -0.11 0.00 0.00 41.96 40.46 1vrs s TYR 39 CO 0.00 0.40 0.64 1.52 -1.11 0.00 0.00 175.55 177.00 1vrs s TYR 40 N -2.82 -0.58 0.03 2.71 -0.85 -0.43 -4.64 117.35 110.77 1vrs s TYR 40 Ca 0.33 0.63 0.01 0.00 -0.52 0.00 0.00 57.07 57.52 1vrs s TYR 40 Cb 0.06 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1vrs s TYR 40 CO 0.16 -0.75 0.08 -0.51 -1.52 0.00 0.00 175.55 173.00 1vrs s LEU 41 N -2.15 3.84 -0.32 -3.49 1.43 -0.76 -1.43 118.68 115.80 1vrs s LEU 41 Ca -0.03 0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 1vrs s LEU 41 Cb -0.01 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1vrs s LEU 41 CO -0.04 0.23 0.76 -0.31 0.23 0.00 0.00 176.35 177.22 1vrs s TYR 42 N -1.26 3.18 0.25 0.29 2.02 -0.14 -1.23 117.35 120.45 1vrs s TYR 42 Ca 0.25 0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 57.61 1vrs s TYR 42 Cb -0.12 -3.24 0.39 0.00 -0.40 0.00 0.00 41.96 38.59 1vrs s TYR 42 CO 0.17 -0.61 1.84 -0.09 -1.57 0.00 0.00 175.55 175.29 1vrs h ARG 43 N 8.24 0.90 0.00 -0.62 2.43 -1.64 -1.42 114.38 122.27 1vrs h ARG 43 Ca -0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1vrs h ARG 43 Cb 1.10 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1vrs h ARG 43 CO 0.88 0.59 0.00 0.36 -1.51 0.00 0.00 179.97 180.29 1vrs n LYS 44 N -4.65 0.61 0.00 0.20 -0.00 -1.26 -2.64 118.16 110.42 1vrs n LYS 44 Ca 0.14 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.54 1vrs n LYS 44 Cb 0.24 -1.45 -0.03 0.00 -0.00 0.00 0.00 35.03 33.78 1vrs n LYS 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1vrs n GLN 45 N -0.95 1.38 -2.59 -1.58 1.13 -0.54 -4.97 117.38 109.26 1vrs n GLN 45 Ca 0.13 -0.65 -0.41 0.00 -1.94 0.00 0.00 57.00 54.14 1vrs n GLN 45 Cb 0.06 -1.36 -0.05 0.00 0.11 0.00 0.00 30.24 29.01 1vrs n GLN 45 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1vrs s ILE 46 N -2.30 3.88 -0.11 5.09 1.01 -1.08 -4.06 121.20 123.64 1vrs s ILE 46 Ca 0.13 1.75 -0.04 0.00 0.00 0.00 0.00 60.65 62.49 1vrs s ILE 46 Cb 0.15 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.56 1vrs s ILE 46 CO 0.55 0.36 0.22 -0.60 0.00 0.00 0.00 174.94 175.46 1vrs s ARG 47 N -0.82 0.10 -0.25 2.79 6.06 0.30 -4.99 118.95 122.14 1vrs s ARG 47 Ca 0.46 0.65 -0.02 0.00 -2.50 0.00 0.00 55.73 54.31 1vrs s ARG 47 Cb -0.29 -0.14 0.02 0.00 0.06 0.00 0.00 34.95 34.61 1vrs s ARG 47 CO 0.35 -0.28 -0.04 0.42 -2.50 0.00 0.00 175.30 173.25 1vrs s ILE 48 N 2.26 3.02 -0.12 4.11 1.01 -1.26 -0.90 121.20 129.32 1vrs s ILE 48 Ca 0.01 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1vrs s ILE 48 Cb -0.12 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.83 1vrs s ILE 48 CO -0.07 0.18 -0.16 -0.89 0.00 0.00 0.00 174.94 174.00 1vrs s THR 49 N 1.35 1.60 0.28 2.92 2.01 -0.35 -4.97 115.64 118.48 1vrs s THR 49 Ca 0.00 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1vrs s THR 49 Cb -0.17 -1.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.80 1vrs s THR 49 CO -0.04 0.46 0.73 -2.16 -0.69 0.00 0.00 174.62 172.93 1vrs s PRO 50 N 1.07 4.10 -0.26 4.92 0.04 -1.26 -0.05 135.00 143.55 1vrs s PRO 50 Ca -0.04 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1vrs s PRO 50 Cb -0.15 -2.60 0.08 0.00 0.04 0.00 0.00 34.50 31.87 1vrs s PRO 50 CO -0.04 0.25 0.02 -1.21 0.04 0.00 0.00 177.00 176.06 1vrs s GLU 51 N -2.59 1.15 -0.93 4.56 0.41 0.62 -4.73 118.70 117.18 1vrs s GLU 51 Ca 0.50 -1.02 -0.05 0.00 -0.41 0.00 0.00 54.97 53.99 1vrs s GLU 51 Cb -0.13 -2.39 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 1vrs s GLU 51 CO 0.19 -0.77 0.81 0.72 -0.49 0.00 0.00 175.26 175.72 1vrs n HIS 52 N 4.74 -1.95 -3.62 1.61 8.25 -1.26 -1.07 115.22 121.92 1vrs n HIS 52 Ca -0.06 0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 57.98 1vrs n HIS 52 Cb 0.44 -3.89 -0.05 0.00 1.12 0.00 0.00 29.99 27.61 1vrs n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vrs s ALA 53 N -3.23 -1.08 -0.18 -1.41 0.00 -1.26 -1.20 121.76 113.40 1vrs s ALA 53 Ca 0.35 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1vrs s ALA 53 Cb -0.15 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1vrs s ALA 53 CO 0.51 -0.54 -0.15 0.15 0.00 0.00 0.00 175.76 175.73 1vrs s LYS 54 N -2.96 2.48 0.14 0.00 1.02 0.21 -4.83 119.74 115.79 1vrs s LYS 54 Ca -0.02 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.30 1vrs s LYS 54 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1vrs s LYS 54 CO -0.06 -0.29 -0.15 0.96 -0.92 0.00 0.00 175.35 174.90 1vrs s ILE 55 N 1.38 2.98 0.46 2.17 -4.36 -1.26 -0.56 121.20 122.01 1vrs s ILE 55 Ca 0.03 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.66 1vrs s ILE 55 Cb -0.14 -2.41 -0.09 0.00 1.25 0.00 0.00 42.46 41.08 1vrs s ILE 55 CO -0.11 0.03 1.05 0.00 0.24 0.00 0.00 174.94 176.15 1vrs s ALA 56 N -1.34 2.93 0.15 2.27 0.00 -0.62 -4.93 121.76 120.22 1vrs s ALA 56 Ca 0.20 0.65 -0.34 0.00 0.00 0.00 0.00 51.96 52.47 1vrs s ALA 56 Cb -0.10 -3.26 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 1vrs s ALA 56 CO 0.12 -0.30 1.29 -0.25 0.00 0.00 0.00 175.76 176.61 1vrs n ASP 57 N -0.70 1.74 -4.68 0.00 8.00 -1.26 -4.62 116.55 115.02 1vrs n ASP 57 Ca 0.08 1.13 -0.38 0.00 0.71 0.00 0.00 54.79 56.33 1vrs n ASP 57 Cb 0.51 -1.25 -0.07 0.00 -0.02 0.00 0.00 41.12 40.30 1vrs n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vrs s VAL 58 N 0.16 5.19 -0.24 2.53 1.01 -1.26 -4.97 120.40 122.83 1vrs s VAL 58 Ca 0.77 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 1vrs s VAL 58 Cb -0.85 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1vrs s VAL 58 CO 0.49 0.26 0.25 -1.58 0.00 0.00 0.00 175.10 174.52 1vrs s GLN 59 N 1.20 4.07 -0.04 2.72 2.00 -1.26 -5.06 119.66 123.28 1vrs s GLN 59 Ca 0.21 -0.12 -0.25 0.00 -2.00 0.00 0.00 55.36 53.21 1vrs s GLN 59 Cb -0.15 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.05 1vrs s GLN 59 CO 0.08 -0.04 0.75 -0.51 -0.50 0.00 0.00 175.29 175.07 1vrs s LEU 60 N 1.35 4.35 0.95 3.68 1.43 -1.26 -4.92 118.68 124.26 1vrs s LEU 60 Ca 0.11 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1vrs s LEU 60 Cb -0.14 -3.18 0.16 0.00 0.03 0.00 0.00 46.19 43.06 1vrs s LEU 60 CO 0.07 -0.11 1.11 -2.16 0.23 0.00 0.00 176.35 175.49 1vrs s PRO 61 N 0.69 0.76 -0.26 1.29 0.04 -1.26 -4.96 135.00 131.29 1vrs s PRO 61 Ca 0.40 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1vrs s PRO 61 Cb -0.19 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1vrs s PRO 61 CO 0.20 -2.73 1.19 -1.14 0.04 0.00 0.00 177.00 174.56 1vrs s GLN 62 N -4.66 4.09 0.00 4.56 2.00 -1.26 -5.03 119.66 119.37 1vrs s GLN 62 Ca 0.66 1.32 0.00 0.00 -2.00 0.00 0.00 55.36 55.34 1vrs s GLN 62 Cb -0.22 -3.77 0.00 0.00 0.80 0.00 0.00 33.01 29.82 1vrs s GLN 62 CO 0.59 -0.88 0.00 0.41 -0.50 0.00 0.00 175.29 174.92 1vrs n GLY 63 N 3.85 2.98 3.95 2.59 0.00 -1.26 -5.10 105.19 112.19 1vrs n GLY 63 Ca 0.13 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 1vrs n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vrs s VAL 64 N 1.23 3.88 -0.15 1.61 -7.23 -0.33 -4.83 120.40 114.58 1vrs s VAL 64 Ca 0.00 -1.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1vrs s VAL 64 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1vrs s VAL 64 CO 0.00 -0.16 0.09 0.26 -0.31 0.00 0.00 175.10 174.98 1vrs s TRP 65 N -2.22 3.38 0.07 2.82 0.52 -1.26 0.38 118.94 122.63 1vrs s TRP 65 Ca 0.44 0.29 0.05 0.00 0.02 0.00 0.00 56.10 56.90 1vrs s TRP 65 Cb -0.08 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 1vrs s TRP 65 CO 0.30 0.43 -0.02 -1.58 0.02 0.00 0.00 176.95 176.09 1vrs s HIS 66 N -0.30 2.95 -0.02 -1.98 5.65 0.96 -4.92 115.29 117.62 1vrs s HIS 66 Ca 0.10 -0.03 0.05 0.00 0.25 0.00 0.00 55.06 55.42 1vrs s HIS 66 Cb -0.12 -1.55 -0.01 0.00 -1.18 0.00 0.00 32.58 29.72 1vrs s HIS 66 CO 0.01 0.45 -0.15 -2.00 -0.65 0.00 0.00 174.74 172.41 1vrs s GLU 67 N -2.07 1.30 -0.03 2.88 2.12 -1.25 -0.63 118.70 121.02 1vrs s GLU 67 Ca 0.23 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.03 1vrs s GLU 67 Cb -0.11 -1.23 0.01 0.00 0.26 0.00 0.00 34.13 33.06 1vrs s GLU 67 CO 0.15 0.31 -0.06 0.16 -0.54 0.00 0.00 175.26 175.28 1vrs s ASP 68 N -0.27 0.93 0.01 -1.70 1.47 0.80 -4.97 116.67 112.93 1vrs s ASP 68 Ca 0.04 -0.14 -0.02 0.00 1.18 0.00 0.00 52.55 53.62 1vrs s ASP 68 Cb -0.07 -0.36 -0.00 0.00 -0.34 0.00 0.00 42.92 42.15 1vrs s ASP 68 CO -0.00 -0.01 0.41 -1.84 0.68 0.00 0.00 175.17 174.41 1vrs n GLU 69 N 3.69 -0.03 0.00 2.11 0.28 -1.26 -2.02 120.64 123.42 1vrs n GLU 69 Ca -0.22 0.41 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1vrs n GLU 69 Cb 0.53 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 32.78 1vrs n GLU 69 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1vrs n PHE 70 N -2.71 0.00 -0.00 -1.84 3.01 -1.26 -4.48 117.46 110.18 1vrs n PHE 70 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1vrs n PHE 70 Cb 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1vrs n PHE 70 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1vrs n TYR 71 N 0.00 -0.00 0.00 1.38 4.02 -1.23 -4.99 117.16 116.34 1vrs n TYR 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1vrs n TYR 71 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 1vrs n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vrs n GLY 72 N -1.00 0.65 3.80 2.72 0.00 -0.86 -4.97 105.19 105.53 1vrs n GLY 72 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1vrs n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vrs s LYS 73 N 0.00 3.09 -0.13 1.61 0.00 -1.26 -0.14 119.74 122.91 1vrs s LYS 73 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 55.97 55.33 1vrs s LYS 73 Cb 0.00 -2.87 0.04 0.00 0.00 0.00 0.00 37.83 35.00 1vrs s LYS 73 CO 0.00 0.63 0.38 -1.12 0.00 0.00 0.00 175.35 175.24 1vrs s SER 74 N -1.90 -0.38 -0.08 0.03 0.01 0.20 -4.96 113.70 106.62 1vrs s SER 74 Ca 0.25 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 57.96 1vrs s SER 74 Cb -0.12 0.74 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1vrs s SER 74 CO 0.16 -0.16 0.83 -0.70 0.41 0.00 0.00 173.24 173.78 1vrs s GLU 75 N 0.06 4.43 0.25 12.44 2.12 -1.26 -0.03 118.70 136.71 1vrs s GLU 75 Ca -0.01 1.10 0.03 0.00 0.36 0.00 0.00 54.97 56.45 1vrs s GLU 75 Cb -0.03 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1vrs s GLU 75 CO 0.01 -0.11 0.02 0.96 -0.54 0.00 0.00 175.26 175.60 1vrs s ILE 76 N 1.33 1.01 -0.02 -3.70 -4.36 0.16 -1.64 121.20 113.97 1vrs s ILE 76 Ca 0.42 -2.02 0.08 0.00 -0.26 0.00 0.00 60.65 58.87 1vrs s ILE 76 Cb -0.18 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1vrs s ILE 76 CO 0.19 -0.22 -0.26 -0.31 0.24 0.00 0.00 174.94 174.58 1vrs s TYR 77 N -3.43 2.33 0.23 1.37 2.02 -0.37 -1.19 117.35 118.31 1vrs s TYR 77 Ca 0.31 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1vrs s TYR 77 Cb 0.06 -1.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1vrs s TYR 77 CO 0.11 -0.05 -0.08 1.03 -1.57 0.00 0.00 175.55 174.99 1vrs s ARG 78 N -0.59 1.37 0.00 -0.62 0.52 -1.26 -1.82 118.95 116.54 1vrs s ARG 78 Ca 0.09 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 1vrs s ARG 78 Cb -0.10 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1vrs s ARG 78 CO -0.01 0.06 0.00 -0.25 0.02 0.00 0.00 175.30 175.12 1vrs n ASP 79 N -0.43 0.00 -3.75 0.23 8.00 -1.23 -4.65 116.55 114.71 1vrs n ASP 79 Ca -0.07 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.31 1vrs n ASP 79 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.65 1vrs n ASP 79 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1vrs s ARG 80 N 0.00 0.80 -0.10 -1.24 3.52 -1.26 -0.16 118.95 120.50 1vrs s ARG 80 Ca 0.00 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1vrs s ARG 80 Cb 0.00 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.77 1vrs s ARG 80 CO 0.00 -0.25 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.03 1vrs s LEU 81 N -1.95 0.96 -0.18 -0.88 2.96 -0.73 -4.95 118.68 113.90 1vrs s LEU 81 Ca -0.06 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1vrs s LEU 81 Cb -0.01 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 1vrs s LEU 81 CO -0.02 -0.17 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.87 1vrs s THR 82 N 1.82 3.24 -0.30 3.68 2.01 -1.26 -1.61 115.64 123.22 1vrs s THR 82 Ca 0.04 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1vrs s THR 82 Cb -0.13 -2.43 0.09 0.00 0.01 0.00 0.00 72.50 70.05 1vrs s THR 82 CO -0.07 0.47 0.05 -0.22 -0.69 0.00 0.00 174.62 174.16 1vrs s LEU 83 N 1.00 3.01 0.04 4.42 2.96 1.00 -4.89 118.68 126.21 1vrs s LEU 83 Ca -0.01 -1.68 -0.30 0.00 -0.22 0.00 0.00 54.13 51.93 1vrs s LEU 83 Cb -0.15 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1vrs s LEU 83 CO -0.00 -0.37 0.98 -2.16 -1.32 0.00 0.00 176.35 173.48 1vrs s PRO 84 N 1.37 4.60 -0.04 0.98 0.04 -1.26 -0.50 135.00 140.19 1vrs s PRO 84 Ca 0.07 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.61 1vrs s PRO 84 Cb -0.18 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1vrs s PRO 84 CO -0.16 0.03 -0.22 0.08 0.04 0.00 0.00 177.00 176.77 1vrs s VAL 85 N 0.68 1.75 -0.25 -0.36 1.01 0.22 -4.82 120.40 118.63 1vrs s VAL 85 Ca 0.51 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1vrs s VAL 85 Cb -0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1vrs s VAL 85 CO 0.29 0.49 0.13 -0.89 0.00 0.00 0.00 175.10 175.12 1vrs s THR 86 N -0.23 4.94 -0.41 3.92 2.01 -1.26 -0.52 115.64 124.09 1vrs s THR 86 Ca 0.01 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 1vrs s THR 86 Cb -0.11 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1vrs s THR 86 CO 0.02 0.32 0.30 -0.63 -0.69 0.00 0.00 174.62 173.94 1vrs s ILE 87 N 1.45 5.21 -0.10 1.82 1.01 0.19 -1.60 121.20 129.19 1vrs s ILE 87 Ca 0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1vrs s ILE 87 Cb -0.15 -3.93 -0.25 0.00 0.01 0.00 0.00 42.46 38.15 1vrs s ILE 87 CO 0.06 -0.34 0.91 0.78 0.00 0.00 0.00 174.94 176.36 1vrs h ASN 88 N 8.63 0.05 -4.57 3.58 2.35 -1.11 -3.38 115.58 121.13 1vrs h ASN 88 Ca -0.27 -0.86 -0.18 0.00 -0.55 0.00 0.00 56.30 54.44 1vrs h ASN 88 Cb 1.12 -0.02 -0.23 0.00 0.05 0.00 0.00 38.32 39.24 1vrs h ASN 88 CO 0.74 0.91 -0.65 -1.58 -1.65 0.00 0.00 177.43 175.19 1vrs s GLN 89 N -2.77 0.25 -0.29 0.81 -0.44 -1.02 -4.07 119.66 112.13 1vrs s GLN 89 Ca -0.18 -0.35 -0.10 0.00 -2.50 0.00 0.00 55.36 52.23 1vrs s GLN 89 Cb -0.01 0.10 0.13 0.00 -1.64 0.00 0.00 33.01 31.58 1vrs s GLN 89 CO 0.70 -0.05 0.63 0.00 0.50 0.00 0.00 175.29 177.07 1vrs s ALA 90 N -0.96 -1.96 0.95 1.58 0.00 0.68 0.64 121.76 122.70 1vrs s ALA 90 Ca -0.11 2.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.99 1vrs s ALA 90 Cb -0.06 -1.73 0.16 0.00 0.00 0.00 0.00 23.12 21.49 1vrs s ALA 90 CO -0.00 -0.91 1.11 -1.12 0.00 0.00 0.00 175.76 174.83 1vrs s SER 91 N 2.87 3.05 -0.04 0.00 0.01 -0.34 -0.38 113.70 118.86 1vrs s SER 91 Ca -0.06 1.15 -0.30 0.00 1.31 0.00 0.00 55.95 58.05 1vrs s SER 91 Cb -0.12 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 1vrs s SER 91 CO -0.18 -2.86 1.52 0.00 0.41 0.00 0.00 173.24 172.12 1vrs s ALA 92 N -3.07 3.62 0.00 1.44 0.00 -1.26 -1.43 121.76 121.07 1vrs s ALA 92 Ca 0.64 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1vrs s ALA 92 Cb -0.17 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1vrs s ALA 92 CO 0.56 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1vrs n GLY 93 N 3.89 0.78 3.77 0.00 0.00 -1.26 -5.05 105.19 107.32 1vrs n GLY 93 Ca 0.15 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1vrs n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vrs s ALA 94 N -2.00 2.66 0.08 4.61 0.00 -0.51 -4.89 121.76 121.71 1vrs s ALA 94 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1vrs s ALA 94 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1vrs s ALA 94 CO 0.00 -0.90 -0.06 0.95 0.00 0.00 0.00 175.76 175.74 1vrs s THR 95 N -1.69 0.58 -0.18 0.00 -4.23 -0.23 -0.77 115.64 109.12 1vrs s THR 95 Ca 0.74 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1vrs s THR 95 Cb -0.27 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.24 1vrs s THR 95 CO 0.30 -0.74 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.28 1vrs s LEU 96 N -2.59 2.53 -0.45 4.79 2.96 0.13 -0.28 118.68 125.77 1vrs s LEU 96 Ca 0.05 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.29 1vrs s LEU 96 Cb 0.01 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.14 1vrs s LEU 96 CO -0.04 0.05 0.55 -0.89 -1.32 0.00 0.00 176.35 174.69 1vrs s THR 97 N 1.05 4.96 -0.27 3.68 2.01 0.92 0.92 115.64 128.91 1vrs s THR 97 Ca -0.01 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1vrs s THR 97 Cb -0.15 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.20 1vrs s THR 97 CO -0.03 -0.58 0.04 -0.69 -0.69 0.00 0.00 174.62 172.67 1vrs s VAL 98 N 2.46 3.82 -0.04 3.82 1.01 1.00 -1.22 120.40 131.25 1vrs s VAL 98 Ca 0.16 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1vrs s VAL 98 Cb -0.17 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1vrs s VAL 98 CO 0.15 0.20 -0.18 -0.89 0.00 0.00 0.00 175.10 174.38 1vrs s THR 99 N 1.50 2.74 0.24 3.92 2.01 -0.07 0.30 115.64 126.28 1vrs s THR 99 Ca 0.04 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 1vrs s THR 99 Cb -0.16 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1vrs s THR 99 CO 0.01 0.59 0.50 -0.72 -0.69 0.00 0.00 174.62 174.31 1vrs s TYR 100 N -0.67 0.23 -0.15 4.92 1.13 -0.26 -0.54 117.35 122.01 1vrs s TYR 100 Ca 0.10 -0.60 -0.15 0.00 -1.41 0.00 0.00 57.07 55.02 1vrs s TYR 100 Cb -0.11 0.27 0.04 0.00 -1.10 0.00 0.00 41.96 41.06 1vrs s TYR 100 CO 0.00 -1.00 0.41 -1.14 -2.51 0.00 0.00 175.55 171.32 1vrs s GLN 101 N -3.98 0.49 0.31 -3.49 0.74 -1.26 -0.48 119.66 111.99 1vrs s GLN 101 Ca 0.19 0.56 0.05 0.00 0.05 0.00 0.00 55.36 56.21 1vrs s GLN 101 Cb -0.01 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 1vrs s GLN 101 CO 0.07 -0.06 0.22 0.20 -0.55 0.00 0.00 175.29 175.17 1vrs s GLY 102 N 0.18 2.16 0.27 2.59 0.00 -1.26 -0.97 107.32 110.29 1vrs s GLY 102 Ca -0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 1vrs s GLY 102 CO 0.01 -1.50 0.35 -0.56 0.00 0.00 0.00 173.10 171.40 1vrs s SER 103 N -3.35 0.49 -0.03 1.64 0.01 -0.51 -1.42 113.70 110.53 1vrs s SER 103 Ca 0.38 -1.33 0.05 0.00 1.31 0.00 0.00 55.95 56.36 1vrs s SER 103 Cb 0.04 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 1vrs s SER 103 CO 0.23 -1.09 -0.16 0.00 0.41 0.00 0.00 173.24 172.62 1vrs s ALA 104 N -3.70 2.60 0.34 1.44 0.00 0.90 -1.31 121.76 122.03 1vrs s ALA 104 Ca 0.32 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1vrs s ALA 104 Cb 0.02 -0.89 0.80 0.00 0.00 0.00 0.00 23.12 23.05 1vrs s ALA 104 CO 0.15 0.56 1.84 -0.44 0.00 0.00 0.00 175.76 177.88 1vrs h ASP 105 N 5.22 0.69 0.00 0.00 3.32 -1.14 -1.05 116.42 123.46 1vrs h ASP 105 Ca -0.46 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1vrs h ASP 105 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1vrs h ASP 105 CO 0.50 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 1vrs n ALA 106 N -2.41 2.16 -0.23 3.45 0.00 -1.26 -4.84 120.51 117.37 1vrs n ALA 106 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1vrs n ALA 106 Cb 0.50 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1vrs n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vrs n GLY 107 N 0.14 0.75 2.88 0.00 0.00 -0.41 -5.13 105.19 103.42 1vrs n GLY 107 Ca 0.09 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1vrs n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vrs s PHE 108 N -1.80 -0.12 -0.22 1.61 5.36 -1.15 -4.98 117.98 116.68 1vrs s PHE 108 Ca 0.00 0.41 -0.05 0.00 -0.96 0.00 0.00 56.93 56.32 1vrs s PHE 108 Cb 0.00 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.53 1vrs s PHE 108 CO 0.00 -0.15 0.01 0.00 -1.46 0.00 0.00 175.22 173.61 1vrs s TYR 110 N 1.35 3.41 0.90 0.00 1.51 -0.51 -5.01 117.35 119.00 1vrs s TYR 110 Ca 0.04 1.18 -0.14 0.00 -1.01 0.00 0.00 57.07 57.15 1vrs s TYR 110 Cb -0.15 -2.53 0.14 0.00 -0.11 0.00 0.00 41.96 39.32 1vrs s TYR 110 CO 0.01 -0.02 1.21 -1.25 -1.11 0.00 0.00 175.55 174.39 1vrs s PRO 111 N -3.38 1.21 0.62 -1.71 0.04 -1.26 -4.43 135.00 126.08 1vrs s PRO 111 Ca 0.54 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 1vrs s PRO 111 Cb -0.10 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1vrs s PRO 111 CO 0.23 -2.09 1.24 -2.14 0.04 0.00 0.00 177.00 174.28 1vrs s PRO 112 N -5.59 2.77 0.03 0.56 0.02 -1.26 -4.64 135.00 126.88 1vrs s PRO 112 Ca 0.66 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.66 1vrs s PRO 112 Cb -0.10 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1vrs s PRO 112 CO 0.52 -1.39 -0.19 -1.21 -0.33 0.00 0.00 177.00 174.40 1vrs s GLU 113 N -3.38 1.32 -0.11 5.54 2.02 0.37 -4.97 118.70 119.49 1vrs s GLU 113 Ca 0.79 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.92 1vrs s GLU 113 Cb -0.33 -1.39 0.02 0.00 0.10 0.00 0.00 34.13 32.54 1vrs s GLU 113 CO 0.36 0.36 -0.07 0.99 0.02 0.00 0.00 175.26 176.92 1vrs s THR 114 N -0.74 0.96 -0.04 3.63 2.01 -1.26 -1.10 115.64 119.10 1vrs s THR 114 Ca 0.06 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1vrs s THR 114 Cb -0.08 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1vrs s THR 114 CO 0.01 0.35 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.72 1vrs s LYS 115 N 1.68 2.76 -0.32 4.92 -0.14 0.15 -4.94 119.74 123.84 1vrs s LYS 115 Ca 0.04 -0.58 -0.08 0.00 -1.36 0.00 0.00 55.97 53.99 1vrs s LYS 115 Cb -0.13 -2.63 0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1vrs s LYS 115 CO -0.07 0.65 0.12 0.99 -0.76 0.00 0.00 175.35 176.27 1vrs s THR 116 N -0.94 4.10 -0.26 2.17 2.01 -1.26 -0.00 115.64 121.46 1vrs s THR 116 Ca 0.16 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 1vrs s THR 116 Cb -0.11 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1vrs s THR 116 CO 0.05 -0.05 0.43 -0.69 -0.69 0.00 0.00 174.62 173.67 1vrs s VAL 117 N 1.50 5.14 -0.26 3.82 1.01 0.26 -4.89 120.40 126.98 1vrs s VAL 117 Ca 0.02 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1vrs s VAL 117 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1vrs s VAL 117 CO 0.04 0.14 1.19 -2.16 0.00 0.00 0.00 175.10 174.32 1vrs s PRO 118 N 2.05 4.09 0.15 2.72 0.04 -1.26 0.17 135.00 142.96 1vrs s PRO 118 Ca 0.18 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1vrs s PRO 118 Cb -0.16 -3.78 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 1vrs s PRO 118 CO 0.09 -0.87 0.57 -0.51 0.04 0.00 0.00 177.00 176.32 1vrs s LEU 119 N 3.77 4.36 0.30 -3.56 1.43 0.05 -4.95 118.68 120.08 1vrs s LEU 119 Ca 0.51 1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 1vrs s LEU 119 Cb -0.17 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1vrs s LEU 119 CO 0.16 0.11 0.80 -0.44 0.23 0.00 0.00 176.35 177.21 1vrs s SER 120 N -1.65 6.99 0.41 2.29 0.01 -1.26 -4.25 113.70 116.24 1vrs s SER 120 Ca 0.37 1.48 -0.26 0.00 1.31 0.00 0.00 55.95 58.85 1vrs s SER 120 Cb -0.16 -2.45 -0.10 0.00 0.21 0.00 0.00 66.02 63.53 1vrs s SER 120 CO 0.19 -0.12 1.34 1.21 0.41 0.00 0.00 173.24 176.27 1vrs n GLU 121 N 0.13 2.13 -3.52 12.44 2.13 -1.26 -4.81 120.64 127.87 1vrs n GLU 121 Ca 0.02 0.75 -0.17 0.00 0.66 0.00 0.00 57.16 58.43 1vrs n GLU 121 Cb 0.52 -2.47 -0.13 0.00 0.27 0.00 0.00 31.44 29.63 1vrs n GLU 121 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1vrs s VAL 122 N -1.17 -0.36 0.38 6.31 1.01 0.49 -4.94 120.40 122.11 1vrs s VAL 122 Ca 0.59 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 1vrs s VAL 122 Cb -0.50 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 1vrs s VAL 122 CO 0.59 -0.12 1.11 -0.69 0.00 0.00 0.00 175.10 176.00 1vrs s VAL 123 N 2.36 3.41 1.03 2.92 1.01 -1.26 -0.23 120.40 129.64 1vrs s VAL 123 Ca 0.06 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 1vrs s VAL 123 Cb -0.15 -3.67 0.20 0.00 0.00 0.00 0.00 36.38 32.76 1vrs s VAL 123 CO -0.11 0.12 1.12 0.00 0.00 0.00 0.00 175.10 176.23 1vrs s ALA 124 N -1.45 1.15 0.00 5.51 0.00 -1.26 -4.80 121.76 120.91 1vrs s ALA 124 Ca 0.55 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1vrs s ALA 124 Cb -0.28 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1vrs s ALA 124 CO 0.35 -2.87 0.00 -1.71 0.00 0.00 0.00 175.76 171.53