#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2blu s THR 2 N 0.00 5.48 -0.21 0.00 -4.23 -1.26 -0.46 115.64 114.96 2blu s THR 2 Ca 0.00 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2blu s THR 2 Cb 0.00 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.49 2blu s THR 2 CO 0.00 0.60 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.24 2blu s PHE 3 N -0.91 2.40 -0.22 3.99 0.40 -0.38 -1.47 117.98 121.78 2blu s PHE 3 Ca 0.14 -1.65 -0.23 0.00 -0.60 0.00 0.00 56.93 54.60 2blu s PHE 3 Cb -0.12 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2blu s PHE 3 CO 0.03 -0.75 0.74 -2.00 0.70 0.00 0.00 175.22 173.94 2blu s GLU 4 N 1.40 4.20 -0.24 0.44 2.12 -0.28 -1.04 118.70 125.30 2blu s GLU 4 Ca -0.03 0.79 -0.06 0.00 0.36 0.00 0.00 54.97 56.03 2blu s GLU 4 Cb -0.17 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2blu s GLU 4 CO -0.07 -0.38 0.04 0.42 -0.54 0.00 0.00 175.26 174.72 2blu s ILE 5 N 2.38 4.05 -0.12 -3.70 1.01 0.57 -0.67 121.20 124.71 2blu s ILE 5 Ca 0.32 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2blu s ILE 5 Cb -0.16 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.45 2blu s ILE 5 CO 0.09 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 2blu s VAL 6 N 1.53 1.88 -0.54 2.92 1.01 0.33 -0.62 120.40 126.91 2blu s VAL 6 Ca 0.06 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2blu s VAL 6 Cb -0.15 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.68 2blu s VAL 6 CO 0.02 0.52 0.53 0.21 0.00 0.00 0.00 175.10 176.38 2blu s ASN 7 N 0.73 6.18 0.00 3.32 2.47 -0.39 -0.81 114.94 126.45 2blu s ASN 7 Ca -0.10 -1.59 0.25 0.00 0.42 0.00 0.00 52.86 51.83 2blu s ASN 7 Cb -0.16 -2.23 0.67 0.00 -1.45 0.00 0.00 41.25 38.08 2blu s ASN 7 CO 0.01 -0.88 1.53 -1.14 -3.72 0.00 0.00 177.10 172.90 2blu n ARG 8 N 5.53 1.97 -1.39 0.43 0.63 -0.30 0.38 116.66 123.90 2blu n ARG 8 Ca -0.12 -1.43 -0.33 0.00 -0.92 0.00 0.00 57.85 55.05 2blu n ARG 8 Cb 0.41 -1.46 0.09 0.00 0.45 0.00 0.00 32.46 31.95 2blu n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2blu n SER 10 N -3.01 0.00 -4.52 0.00 3.41 -1.26 -4.34 113.62 103.90 2blu n SER 10 Ca 0.11 0.30 -0.27 0.00 -0.26 0.00 0.00 58.87 58.75 2blu n SER 10 Cb 0.52 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2blu n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2blu s TYR 11 N -2.85 2.51 0.41 7.33 -0.85 -1.26 -4.80 117.35 117.85 2blu s TYR 11 Ca 0.17 -0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 56.19 2blu s TYR 11 Cb 0.17 -1.22 -0.08 0.00 0.38 0.00 0.00 41.96 41.20 2blu s TYR 11 CO 0.45 0.52 1.30 0.99 -1.52 0.00 0.00 175.55 177.29 2blu s THR 12 N -1.76 2.61 0.19 -3.49 2.01 -1.26 -4.32 115.64 109.61 2blu s THR 12 Ca 0.24 0.54 0.08 0.00 0.31 0.00 0.00 61.69 62.85 2blu s THR 12 Cb -0.08 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2blu s THR 12 CO 0.14 0.07 -0.15 0.68 -0.69 0.00 0.00 174.62 174.67 2blu s VAL 13 N -1.28 1.72 -0.38 3.82 -7.23 -0.76 -4.66 120.40 111.63 2blu s VAL 13 Ca 0.58 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 2blu s VAL 13 Cb -0.38 -1.95 0.09 0.00 0.56 0.00 0.00 36.38 34.69 2blu s VAL 13 CO 0.48 -0.52 0.16 0.26 -0.31 0.00 0.00 175.10 175.18 2blu s TRP 14 N -2.69 3.45 0.68 2.82 0.51 -0.20 -0.30 118.94 123.21 2blu s TRP 14 Ca 0.20 -2.07 -0.16 0.00 -2.12 0.00 0.00 56.10 51.95 2blu s TRP 14 Cb -0.02 -2.88 0.01 0.00 -0.81 0.00 0.00 33.47 29.77 2blu s TRP 14 CO 0.06 -0.90 1.17 0.00 -0.51 0.00 0.00 176.95 176.78 2blu s ALA 15 N 1.23 2.32 0.01 0.98 0.00 -0.19 -1.05 121.76 125.07 2blu s ALA 15 Ca 0.04 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 2blu s ALA 15 Cb -0.22 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2blu s ALA 15 CO -0.02 -1.53 0.02 0.00 0.00 0.00 0.00 175.76 174.23 2blu s ALA 16 N -2.01 -0.01 -0.14 0.00 0.00 -0.12 -1.83 121.76 117.64 2blu s ALA 16 Ca 0.73 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2blu s ALA 16 Cb -0.27 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.02 2blu s ALA 16 CO 0.41 -0.14 0.31 0.00 0.00 0.00 0.00 175.76 176.34 2blu s ALA 17 N -1.17 -0.75 0.09 0.00 0.00 -0.34 -1.84 121.76 117.75 2blu s ALA 17 Ca -0.13 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2blu s ALA 17 Cb -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.08 2blu s ALA 17 CO -0.00 -0.53 0.38 0.45 0.00 0.00 0.00 175.76 176.06 2blu s SER 18 N 2.09 -0.21 -0.13 0.00 0.15 -0.68 -1.43 113.70 113.49 2blu s SER 18 Ca -0.03 -0.24 0.15 0.00 0.70 0.00 0.00 55.95 56.53 2blu s SER 18 Cb -0.11 0.44 0.41 0.00 -1.71 0.00 0.00 66.02 65.05 2blu s SER 18 CO -0.10 -0.77 1.31 2.29 1.20 0.00 0.00 173.24 177.18 2blu n LYS 19 N 0.08 2.58 0.00 5.44 2.85 -0.45 -1.00 118.16 127.66 2blu n LYS 19 Ca -0.17 -2.59 0.00 0.00 -1.05 0.00 0.00 58.31 54.50 2blu n LYS 19 Cb 0.62 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 2blu n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2blu n GLY 20 N -0.55 3.10 0.08 2.58 0.00 -1.26 -4.65 105.19 104.49 2blu n GLY 20 Ca 0.17 -0.93 0.01 0.00 0.00 0.00 0.00 46.02 45.27 2blu n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2blu n ASP 21 N 0.83 2.00 -3.55 1.61 5.75 -1.25 -4.33 116.55 117.61 2blu n ASP 21 Ca 0.00 -1.89 -0.10 0.00 -0.01 0.00 0.00 54.79 52.79 2blu n ASP 21 Cb 0.00 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 2blu n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2blu s ALA 22 N -0.90 -1.89 0.61 2.12 0.00 -0.70 -4.98 121.76 116.02 2blu s ALA 22 Ca 0.03 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 2blu s ALA 22 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2blu s ALA 22 CO 0.02 -0.47 1.21 0.00 0.00 0.00 0.00 175.76 176.51 2blu s ALA 23 N -1.95 2.49 -0.21 0.00 0.00 -1.25 -1.34 121.76 119.50 2blu s ALA 23 Ca 0.01 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 2blu s ALA 23 Cb -0.01 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2blu s ALA 23 CO -0.03 -1.26 0.14 -0.51 0.00 0.00 0.00 175.76 174.10 2blu s LEU 24 N -4.23 4.14 0.00 0.00 1.43 -0.52 -4.72 118.68 114.78 2blu s LEU 24 Ca 0.77 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2blu s LEU 24 Cb -0.30 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2blu s LEU 24 CO 0.35 0.14 0.00 -0.67 0.23 0.00 0.00 176.35 176.40 2blu n ASP 25 N 3.80 0.00 0.04 2.29 -0.08 -1.25 -0.97 116.55 120.38 2blu n ASP 25 Ca -0.16 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.22 2blu n ASP 25 Cb 0.52 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.39 2blu n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2blu n ALA 26 N 8.24 1.80 0.00 -1.67 0.00 -1.26 -4.91 120.51 122.71 2blu n ALA 26 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2blu n ALA 26 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2blu n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2blu n GLY 27 N 0.31 2.75 3.59 0.00 0.00 -0.14 -4.38 105.19 107.31 2blu n GLY 27 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2blu n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2blu s GLY 28 N -1.31 -0.30 -0.12 -0.02 0.00 -1.25 -1.20 107.32 103.11 2blu s GLY 28 Ca 0.00 1.57 -0.30 0.00 0.00 0.00 0.00 44.72 45.98 2blu s GLY 28 CO 0.00 0.53 0.91 -1.60 0.00 0.00 0.00 173.10 172.93 2blu s ARG 29 N -2.45 0.73 0.20 2.90 3.52 -0.76 -4.58 118.95 118.50 2blu s ARG 29 Ca 0.09 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 2blu s ARG 29 Cb -0.01 0.34 -0.08 0.00 -1.56 0.00 0.00 34.95 33.64 2blu s ARG 29 CO -0.05 -0.23 1.23 -1.14 -0.81 0.00 0.00 175.30 174.30 2blu s GLN 30 N -1.21 4.46 -0.27 5.12 0.74 -1.26 -1.02 119.66 126.22 2blu s GLN 30 Ca -0.04 1.94 -0.00 0.00 0.05 0.00 0.00 55.36 57.31 2blu s GLN 30 Cb -0.00 -3.21 0.08 0.00 1.10 0.00 0.00 33.01 30.98 2blu s GLN 30 CO 0.03 -0.12 0.05 -0.51 -0.55 0.00 0.00 175.29 174.19 2blu s LEU 31 N -0.37 2.38 0.98 3.68 1.02 0.59 -4.91 118.68 122.05 2blu s LEU 31 Ca 0.53 -1.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.13 2blu s LEU 31 Cb -0.34 -0.97 0.18 0.00 0.02 0.00 0.00 46.19 45.08 2blu s LEU 31 CO 0.38 -0.35 1.09 0.20 0.02 0.00 0.00 176.35 177.69 2blu s ASN 32 N 1.54 2.58 -0.07 2.29 0.01 -1.26 -1.83 114.94 118.19 2blu s ASN 32 Ca 0.04 1.75 -0.34 0.00 -0.71 0.00 0.00 52.86 53.61 2blu s ASN 32 Cb -0.18 -2.37 -0.12 0.00 0.41 0.00 0.00 41.25 39.00 2blu s ASN 32 CO -0.16 -3.24 1.87 -0.24 -1.51 0.00 0.00 177.10 173.82 2blu n SER 33 N -4.30 3.47 0.00 -1.22 2.88 -1.26 -1.18 113.62 112.01 2blu n SER 33 Ca 0.08 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2blu n SER 33 Cb 0.54 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2blu n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2blu n GLY 34 N 4.36 1.37 3.80 0.46 0.00 0.16 -5.04 105.19 110.29 2blu n GLY 34 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2blu n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2blu s GLU 35 N -0.74 3.53 -0.03 1.61 2.02 -0.33 -4.75 118.70 120.01 2blu s GLU 35 Ca 0.00 1.33 0.05 0.00 0.02 0.00 0.00 54.97 56.38 2blu s GLU 35 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 2blu s GLU 35 CO 0.00 -0.66 -0.19 -1.12 0.02 0.00 0.00 175.26 173.31 2blu s SER 36 N -2.29 2.36 -0.11 -0.19 0.01 -1.26 -1.26 113.70 110.96 2blu s SER 36 Ca 0.66 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2blu s SER 36 Cb -0.17 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.60 2blu s SER 36 CO 0.28 0.20 -0.05 0.86 0.41 0.00 0.00 173.24 174.94 2blu s TRP 37 N -0.21 1.30 -0.24 2.43 -0.00 0.21 -4.97 118.94 117.47 2blu s TRP 37 Ca 0.01 -0.63 -0.10 0.00 -0.00 0.00 0.00 56.10 55.39 2blu s TRP 37 Cb -0.10 -1.13 -0.05 0.00 -0.00 0.00 0.00 33.47 32.19 2blu s TRP 37 CO 0.01 -0.48 0.13 0.99 -0.00 0.00 0.00 176.95 177.61 2blu s THR 38 N 1.77 5.09 0.23 5.86 2.01 -1.26 -0.32 115.64 129.02 2blu s THR 38 Ca 0.05 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.22 2blu s THR 38 Cb -0.13 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2blu s THR 38 CO -0.07 0.35 0.02 0.27 -0.69 0.00 0.00 174.62 174.49 2blu s ILE 39 N 1.15 3.64 -0.18 1.82 -4.36 -0.21 -4.96 121.20 118.10 2blu s ILE 39 Ca 0.06 -1.68 -0.03 0.00 -0.26 0.00 0.00 60.65 58.74 2blu s ILE 39 Cb -0.14 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 2blu s ILE 39 CO 0.05 -0.27 -0.07 0.20 0.24 0.00 0.00 174.94 175.08 2blu s ASN 40 N -3.42 4.28 -0.15 4.36 -0.87 -1.26 -1.26 114.94 116.63 2blu s ASN 40 Ca 0.30 -0.32 -0.01 0.00 -1.57 0.00 0.00 52.86 51.25 2blu s ASN 40 Cb -0.08 -1.70 -0.01 0.00 -0.02 0.00 0.00 41.25 39.44 2blu s ASN 40 CO 0.20 0.08 -0.11 -0.69 -2.57 0.00 0.00 177.10 174.01 2blu s VAL 41 N 0.89 3.15 0.32 1.60 1.01 0.39 -3.79 120.40 123.98 2blu s VAL 41 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2blu s VAL 41 Cb -0.15 -2.35 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 2blu s VAL 41 CO 0.01 0.50 1.48 1.21 0.00 0.00 0.00 175.10 178.30 2blu n GLU 42 N 3.79 2.49 -1.63 2.72 2.13 -1.26 -0.53 120.64 128.35 2blu n GLU 42 Ca -0.18 0.88 -0.38 0.00 0.66 0.00 0.00 57.16 58.14 2blu n GLU 42 Cb 0.52 -2.59 0.06 0.00 0.27 0.00 0.00 31.44 29.69 2blu n GLU 42 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2blu n PRO 43 N 1.36 0.92 -0.89 5.31 -0.02 -1.26 -2.43 135.00 137.99 2blu n PRO 43 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2blu n PRO 43 Cb 0.36 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2blu n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2blu n GLY 44 N 1.23 1.00 3.69 -1.23 0.00 -1.19 -4.99 105.19 103.69 2blu n GLY 44 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2blu n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2blu s THR 45 N -3.80 2.85 -0.14 2.61 2.01 -1.02 -4.70 115.64 113.45 2blu s THR 45 Ca 0.00 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 2blu s THR 45 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2blu s THR 45 CO 0.00 -0.00 -0.08 0.21 -0.69 0.00 0.00 174.62 174.06 2blu s ASN 46 N 2.72 4.45 -0.70 3.53 3.84 -1.26 -0.52 114.94 127.01 2blu s ASN 46 Ca 0.78 -0.21 -0.05 0.00 0.21 0.00 0.00 52.86 53.59 2blu s ASN 46 Cb -0.42 -1.69 0.01 0.00 -0.55 0.00 0.00 41.25 38.60 2blu s ASN 46 CO 0.35 0.18 0.61 0.61 -2.79 0.00 0.00 177.10 176.05 2blu n GLY 47 N 3.48 0.18 3.85 1.21 0.00 -1.16 -4.96 105.19 107.79 2blu n GLY 47 Ca -0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2blu n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2blu s GLY 48 N -3.16 2.14 -0.00 -0.02 0.00 -0.19 -4.56 107.32 101.53 2blu s GLY 48 Ca 0.30 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.06 2blu s GLY 48 CO 0.37 0.30 0.04 0.54 0.00 0.00 0.00 173.10 174.35 2blu s LYS 49 N -3.61 0.23 -0.02 2.90 1.02 -0.17 -1.38 119.74 118.70 2blu s LYS 49 Ca 0.56 -0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.35 2blu s LYS 49 Cb -0.10 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 2blu s LYS 49 CO 0.25 -0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.86 2blu s ILE 50 N -0.77 1.61 0.16 2.17 1.01 -0.15 -1.68 121.20 123.55 2blu s ILE 50 Ca -0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 2blu s ILE 50 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2blu s ILE 50 CO -0.00 0.46 0.34 -1.66 0.00 0.00 0.00 174.94 174.08 2blu s TRP 51 N -0.34 0.21 0.11 3.97 -2.14 -0.77 -1.29 118.94 118.69 2blu s TRP 51 Ca 0.04 -0.57 -0.04 0.00 2.66 0.00 0.00 56.10 58.19 2blu s TRP 51 Cb -0.09 0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.30 2blu s TRP 51 CO 0.00 -0.75 0.32 0.00 -2.66 0.00 0.00 176.95 173.86 2blu s ALA 52 N -3.93 3.85 -0.00 2.67 0.00 -1.26 -0.94 121.76 122.15 2blu s ALA 52 Ca 0.13 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2blu s ALA 52 Cb 0.02 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2blu s ALA 52 CO -0.02 0.71 -0.26 1.03 0.00 0.00 0.00 175.76 177.21 2blu s ARG 53 N -2.50 2.02 0.21 0.00 0.52 -0.22 -4.63 118.95 114.36 2blu s ARG 53 Ca 0.38 -0.98 0.10 0.00 -0.52 0.00 0.00 55.73 54.72 2blu s ARG 53 Cb -0.13 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2blu s ARG 53 CO 0.24 0.55 -0.16 0.95 0.02 0.00 0.00 175.30 176.90 2blu s THR 54 N -0.66 2.77 -1.17 0.02 -4.23 -1.15 -1.03 115.64 110.19 2blu s THR 54 Ca 0.10 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.52 2blu s THR 54 Cb -0.10 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 2blu s THR 54 CO -0.00 -0.19 0.78 0.47 -0.54 0.00 0.00 174.62 175.14 2blu n ASP 55 N -0.08 -4.59 -4.93 3.99 8.00 -1.26 -1.53 116.55 116.14 2blu n ASP 55 Ca -0.10 -0.93 -0.28 0.00 0.71 0.00 0.00 54.79 54.18 2blu n ASP 55 Cb 0.57 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.85 2blu n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2blu s TYR 57 N -1.65 0.86 -0.01 0.00 1.51 -0.05 -4.98 117.35 113.03 2blu s TYR 57 Ca 0.35 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 2blu s TYR 57 Cb -0.12 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 2blu s TYR 57 CO 0.28 -0.27 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.24 2blu s PHE 58 N 1.28 1.34 1.04 2.71 0.08 -1.26 -1.48 117.98 121.70 2blu s PHE 58 Ca -0.05 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.56 2blu s PHE 58 Cb -0.14 -0.87 0.24 0.00 -0.57 0.00 0.00 43.02 41.69 2blu s PHE 58 CO -0.02 -0.03 1.29 -0.40 -0.10 0.00 0.00 175.22 175.96 2blu n ASP 59 N 2.75 -0.35 0.32 1.36 5.68 -0.18 -4.88 116.55 121.26 2blu n ASP 59 Ca -0.15 -1.42 0.21 0.00 -0.50 0.00 0.00 54.79 52.94 2blu n ASP 59 Cb 0.55 -1.02 1.10 0.00 -1.14 0.00 0.00 41.12 40.60 2blu n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2blu h ASP 60 N -1.96 0.00 0.08 -1.12 3.32 -2.02 -0.30 116.42 114.42 2blu h ASP 60 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2blu h ASP 60 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2blu h ASP 60 CO 0.30 0.00 -0.10 -1.54 -1.72 0.00 0.00 179.24 176.18 2blu n SER 61 N -3.12 1.35 0.00 6.45 3.41 -1.26 -4.94 113.62 115.51 2blu n SER 61 Ca -0.02 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2blu n SER 61 Cb 0.12 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2blu n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2blu n GLY 62 N 1.24 0.70 3.39 5.00 0.00 -0.12 -4.97 105.19 110.43 2blu n GLY 62 Ca 0.16 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2blu n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2blu s SER 63 N -2.73 3.62 0.00 1.61 0.01 -1.26 -1.00 113.70 113.96 2blu s SER 63 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2blu s SER 63 Cb 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2blu s SER 63 CO 0.00 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2blu n GLY 64 N 2.58 -0.66 3.49 3.44 0.00 0.17 -1.01 105.19 113.20 2blu n GLY 64 Ca -0.17 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2blu n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2blu s ILE 65 N -0.75 0.01 0.13 -0.61 2.07 -0.55 -4.34 121.20 117.16 2blu s ILE 65 Ca 0.00 -0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2blu s ILE 65 Cb 0.00 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2blu s ILE 65 CO 0.00 -0.04 -0.21 0.00 -1.91 0.00 0.00 174.94 172.78 2blu h LYS 67 N 3.74 0.00 -5.28 0.00 1.57 -1.06 -3.39 116.57 112.15 2blu h LYS 67 Ca -0.46 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.86 2blu h LYS 67 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.23 2blu h LYS 67 CO 0.43 0.67 -0.80 0.95 -0.57 0.00 0.00 179.45 180.13 2blu s THR 68 N -3.24 1.10 -0.25 -0.16 -4.23 -1.19 -4.69 115.64 102.98 2blu s THR 68 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2blu s THR 68 Cb 0.11 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2blu s THR 68 CO 0.76 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.62 2blu n GLY 69 N 2.37 0.53 3.76 3.99 0.00 -0.31 -2.94 105.19 112.58 2blu n GLY 69 Ca -0.16 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2blu n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2blu n ASP 70 N 0.09 3.76 -4.00 1.61 -0.08 -1.26 -3.82 116.55 112.85 2blu n ASP 70 Ca -0.02 1.20 -0.32 0.00 -1.51 0.00 0.00 54.79 54.14 2blu n ASP 70 Cb 0.18 -1.60 -0.09 0.00 2.34 0.00 0.00 41.12 41.95 2blu n ASP 70 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2blu n GLY 72 N 2.20 0.98 2.24 0.00 0.00 -1.26 -2.35 105.19 107.00 2blu n GLY 72 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2blu n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blu n GLY 73 N -0.85 0.50 3.89 -0.02 0.00 -1.26 -4.94 105.19 102.50 2blu n GLY 73 Ca -0.19 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2blu n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2blu s LEU 74 N -0.38 4.38 0.06 0.99 1.43 -0.99 0.45 118.68 124.63 2blu s LEU 74 Ca 0.00 0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 2blu s LEU 74 Cb 0.00 -2.43 -0.13 0.00 0.03 0.00 0.00 46.19 43.67 2blu s LEU 74 CO 0.00 0.32 1.54 0.25 0.23 0.00 0.00 176.35 178.69 2blu h LEU 75 N 4.36 0.18 -7.93 1.79 5.85 -1.41 -3.39 115.31 114.76 2blu h LEU 75 Ca -0.52 -0.25 -0.73 0.00 0.84 0.00 0.00 57.88 57.22 2blu h LEU 75 Cb 1.21 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.98 2blu h LEU 75 CO 0.64 0.38 0.45 -0.13 -0.34 0.00 0.00 178.44 179.44 2blu s ARG 76 N -5.22 3.55 0.24 1.25 0.52 -1.26 -3.87 118.95 114.16 2blu s ARG 76 Ca -0.14 -2.02 -0.31 0.00 -0.52 0.00 0.00 55.73 52.74 2blu s ARG 76 Cb 0.06 -4.64 -0.11 0.00 0.52 0.00 0.00 34.95 30.78 2blu s ARG 76 CO 0.70 -1.54 1.55 0.00 0.02 0.00 0.00 175.30 176.02 2blu n LYS 78 N 2.80 1.59 -4.39 0.00 5.02 -1.26 -3.95 118.16 117.96 2blu n LYS 78 Ca 0.10 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 2blu n LYS 78 Cb 0.38 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 2blu n LYS 78 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2blu s ARG 79 N -2.55 1.58 0.78 1.97 1.81 -1.26 -1.71 118.95 119.56 2blu s ARG 79 Ca -0.00 -1.88 -0.11 0.00 -1.72 0.00 0.00 55.73 52.02 2blu s ARG 79 Cb 0.09 -0.49 0.06 0.00 -0.45 0.00 0.00 34.95 34.16 2blu s ARG 79 CO 0.52 -0.30 1.09 -0.06 -0.68 0.00 0.00 175.30 175.87 2blu s PHE 80 N -3.52 2.63 0.35 -0.53 0.08 -1.26 -4.84 117.98 110.88 2blu s PHE 80 Ca 0.35 1.48 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 2blu s PHE 80 Cb 0.07 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 2blu s PHE 80 CO 0.15 -1.80 0.57 0.20 -0.10 0.00 0.00 175.22 174.24 2blu s GLY 81 N -3.47 1.45 0.02 4.36 0.00 -1.26 -4.60 107.32 103.82 2blu s GLY 81 Ca 0.61 -0.81 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 2blu s GLY 81 CO 0.56 -0.73 1.25 -1.60 0.00 0.00 0.00 173.10 172.58 2blu s ARG 82 N -4.21 4.38 0.80 2.90 3.52 0.54 -4.85 118.95 122.03 2blu s ARG 82 Ca 0.41 1.80 -0.14 0.00 -0.13 0.00 0.00 55.73 57.68 2blu s ARG 82 Cb -0.10 -3.43 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 2blu s ARG 82 CO 0.36 -0.37 1.09 -2.30 -0.81 0.00 0.00 175.30 173.27 2blu n PRO 83 N 4.50 0.19 -2.99 5.12 -0.02 -1.26 -1.17 135.00 139.37 2blu n PRO 83 Ca 0.10 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.32 2blu n PRO 83 Cb 0.46 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 2blu n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2blu s PRO 84 N -3.92 4.50 -0.11 0.52 0.04 -1.26 -4.67 135.00 130.09 2blu s PRO 84 Ca 0.72 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.79 2blu s PRO 84 Cb -0.30 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 30.96 2blu s PRO 84 CO 0.52 0.35 0.16 0.95 0.04 0.00 0.00 177.00 179.02 2blu s THR 85 N -0.29 -0.25 0.22 1.26 -4.23 -0.46 -4.02 115.64 107.87 2blu s THR 85 Ca 0.38 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 2blu s THR 85 Cb -0.21 -0.39 -0.10 0.00 1.34 0.00 0.00 72.50 73.14 2blu s THR 85 CO 0.23 0.04 1.43 -0.89 -0.54 0.00 0.00 174.62 174.90 2blu s THR 86 N 2.28 2.78 -0.14 3.99 2.01 -1.19 -4.33 115.64 121.05 2blu s THR 86 Ca 0.04 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2blu s THR 86 Cb -0.13 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.98 2blu s THR 86 CO -0.07 0.09 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.00 2blu s LEU 87 N -0.02 2.31 -0.27 4.42 1.43 -0.77 -4.52 118.68 121.26 2blu s LEU 87 Ca 0.61 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 2blu s LEU 87 Cb -0.41 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2blu s LEU 87 CO 0.40 0.11 0.53 0.00 0.23 0.00 0.00 176.35 177.62 2blu s ALA 88 N 0.65 3.57 -0.01 4.21 0.00 -0.41 -1.14 121.76 128.64 2blu s ALA 88 Ca -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.30 2blu s ALA 88 Cb -0.16 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2blu s ALA 88 CO 0.02 -0.83 -0.24 -1.21 0.00 0.00 0.00 175.76 173.49 2blu s GLU 89 N 2.37 1.96 -0.12 0.00 2.02 -0.12 -0.98 118.70 123.83 2blu s GLU 89 Ca 0.22 -0.89 -0.23 0.00 0.02 0.00 0.00 54.97 54.09 2blu s GLU 89 Cb -0.15 -1.91 0.05 0.00 0.10 0.00 0.00 34.13 32.22 2blu s GLU 89 CO 0.10 0.52 0.55 -0.59 0.02 0.00 0.00 175.26 175.86 2blu s PHE 90 N -0.59 -0.55 -0.08 1.61 -0.71 -0.48 -1.40 117.98 115.79 2blu s PHE 90 Ca 0.09 1.14 0.01 0.00 -1.04 0.00 0.00 56.93 57.13 2blu s PHE 90 Cb -0.09 0.26 0.02 0.00 -1.21 0.00 0.00 43.02 41.99 2blu s PHE 90 CO -0.01 -0.42 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.24 2blu s SER 91 N -0.54 1.74 -0.03 1.98 0.01 -0.48 -1.03 113.70 115.36 2blu s SER 91 Ca -0.07 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.94 2blu s SER 91 Cb -0.03 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 2blu s SER 91 CO 0.05 -0.03 -0.02 -0.76 0.41 0.00 0.00 173.24 172.88 2blu s LEU 92 N 1.03 3.41 -1.32 2.44 1.43 0.32 -0.90 118.68 125.09 2blu s LEU 92 Ca -0.08 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2blu s LEU 92 Cb -0.15 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2blu s LEU 92 CO -0.00 0.31 0.79 0.59 0.23 0.00 0.00 176.35 178.27 2blu n ASN 93 N 1.71 -1.86 -4.35 2.29 3.02 -0.97 -3.17 115.26 111.94 2blu n ASN 93 Ca -0.16 -0.78 -0.45 0.00 -0.03 0.00 0.00 54.58 53.16 2blu n ASN 93 Cb 0.53 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.42 2blu n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2blu s GLN 94 N -5.98 2.99 -1.53 3.52 -1.52 0.70 -4.46 119.66 113.39 2blu s GLN 94 Ca 0.10 -1.51 -0.08 0.00 -1.95 0.00 0.00 55.36 51.92 2blu s GLN 94 Cb -0.05 -4.22 0.07 0.00 -0.22 0.00 0.00 33.01 28.59 2blu s GLN 94 CO 0.80 -1.21 0.61 0.66 -0.25 0.00 0.00 175.29 175.90 2blu n TYR 95 N 5.33 -1.76 -0.08 0.91 4.01 -1.26 -2.27 117.16 122.05 2blu n TYR 95 Ca -0.13 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 2blu n TYR 95 Cb 0.42 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 35.96 2blu n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2blu n GLY 96 N -1.74 0.73 3.25 2.72 0.00 -1.26 -5.04 105.19 103.85 2blu n GLY 96 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2blu n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2blu s LYS 97 N -0.74 1.07 0.13 1.61 -0.14 -0.96 -2.22 119.74 118.49 2blu s LYS 97 Ca 0.00 -1.46 0.05 0.00 -1.36 0.00 0.00 55.97 53.20 2blu s LYS 97 Cb 0.00 -0.64 -0.04 0.00 -1.68 0.00 0.00 37.83 35.47 2blu s LYS 97 CO 0.00 0.08 0.09 -0.51 -0.76 0.00 0.00 175.35 174.25 2blu s ASP 98 N -3.18 5.38 -0.06 2.83 1.01 0.11 -0.22 116.67 122.54 2blu s ASP 98 Ca 0.17 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.31 2blu s ASP 98 Cb 0.02 -1.38 0.02 0.00 1.01 0.00 0.00 42.92 42.60 2blu s ASP 98 CO 0.01 0.11 -0.06 -0.31 0.21 0.00 0.00 175.17 175.13 2blu s TYR 99 N -1.60 0.99 0.09 4.23 2.02 -0.08 -0.48 117.35 122.51 2blu s TYR 99 Ca 0.29 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 2blu s TYR 99 Cb -0.11 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 2blu s TYR 99 CO 0.22 -0.27 -0.15 0.96 -1.57 0.00 0.00 175.55 174.73 2blu s ILE 100 N 1.11 1.25 0.27 2.71 -4.36 -0.61 -1.38 121.20 120.19 2blu s ILE 100 Ca -0.07 -1.42 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 2blu s ILE 100 Cb -0.14 -1.24 0.02 0.00 1.25 0.00 0.00 42.46 42.35 2blu s ILE 100 CO -0.01 -0.23 0.66 1.51 0.24 0.00 0.00 174.94 177.11 2blu s ASP 101 N -1.90 -0.24 -0.01 4.36 1.47 -0.49 -0.61 116.67 119.25 2blu s ASP 101 Ca 0.01 -0.65 0.05 0.00 1.18 0.00 0.00 52.55 53.14 2blu s ASP 101 Cb -0.09 0.69 -0.03 0.00 -0.34 0.00 0.00 42.92 43.15 2blu s ASP 101 CO 0.03 -1.28 -0.14 -0.63 0.68 0.00 0.00 175.17 173.83 2blu s ILE 102 N -3.93 3.09 -0.01 2.11 1.01 -1.26 -0.94 121.20 121.26 2blu s ILE 102 Ca 0.13 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2blu s ILE 102 Cb -0.05 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2blu s ILE 102 CO 0.06 0.49 -0.14 -0.55 0.00 0.00 0.00 174.94 174.80 2blu s SER 103 N -1.05 1.68 -0.06 3.58 0.15 -0.29 -1.28 113.70 116.44 2blu s SER 103 Ca 0.13 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.67 2blu s SER 103 Cb -0.11 -0.22 0.47 0.00 -1.71 0.00 0.00 66.02 64.45 2blu s SER 103 CO 0.03 0.17 1.40 0.59 1.20 0.00 0.00 173.24 176.63 2blu n ASN 104 N 2.79 3.61 0.15 5.45 5.03 0.40 -1.84 115.26 130.86 2blu n ASN 104 Ca -0.15 -2.29 0.08 0.00 0.87 0.00 0.00 54.58 53.09 2blu n ASN 104 Cb 0.55 -0.39 0.58 0.00 -1.02 0.00 0.00 39.78 39.49 2blu n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2blu h ILE 105 N 2.66 1.01 -0.70 2.41 2.04 -1.81 -0.75 117.51 122.37 2blu h ILE 105 Ca 0.00 -0.06 -0.30 0.00 1.00 0.00 0.00 64.86 65.50 2blu h ILE 105 Cb 1.05 0.82 -0.18 0.00 -0.74 0.00 0.00 36.82 37.77 2blu h ILE 105 CO 0.09 0.03 0.30 0.29 0.00 0.00 0.00 178.15 178.87 2blu n LYS 106 N -4.51 2.68 0.00 2.37 4.76 -1.26 -4.71 118.16 117.49 2blu n LYS 106 Ca 0.00 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 2blu n LYS 106 Cb 0.13 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.24 2blu n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2blu n GLY 107 N -0.77 -2.12 2.84 0.72 0.00 -0.29 -1.35 105.19 104.22 2blu n GLY 107 Ca 0.44 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 2blu n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2blu s PHE 108 N -0.10 0.23 0.00 1.61 2.19 -0.35 -3.16 117.98 118.41 2blu s PHE 108 Ca 0.00 0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.27 2blu s PHE 108 Cb 0.00 -0.29 0.00 0.00 -1.31 0.00 0.00 43.02 41.42 2blu s PHE 108 CO 0.00 -0.08 0.00 0.27 1.83 0.00 0.00 175.22 177.24 2blu n ASN 109 N 3.79 0.55 -4.07 6.13 2.04 -1.26 -0.69 115.26 121.75 2blu n ASN 109 Ca -0.23 0.00 -0.21 0.00 -0.44 0.00 0.00 54.58 53.70 2blu n ASN 109 Cb 0.53 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.63 2blu n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 2blu s VAL 110 N -1.98 0.98 0.79 3.53 1.01 -1.26 -4.84 120.40 118.63 2blu s VAL 110 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 2blu s VAL 110 Cb 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.62 2blu s VAL 110 CO 0.00 0.28 1.10 -2.16 0.00 0.00 0.00 175.10 174.32 2blu s PRO 111 N -0.19 2.12 -0.20 2.72 0.04 -1.26 -4.65 135.00 133.57 2blu s PRO 111 Ca 0.03 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 2blu s PRO 111 Cb -0.06 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2blu s PRO 111 CO -0.00 -1.75 0.53 1.41 0.04 0.00 0.00 177.00 177.22 2blu s MET 112 N -4.88 0.60 -0.03 4.56 1.75 -0.11 -0.96 119.30 120.22 2blu s MET 112 Ca 0.62 0.78 0.07 0.00 -1.25 0.00 0.00 55.69 55.90 2blu s MET 112 Cb -0.18 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 2blu s MET 112 CO 0.56 -0.09 -0.23 1.21 -0.65 0.00 0.00 175.02 175.83 2blu s ASN 113 N 0.52 3.33 -0.26 1.11 2.47 -0.04 -0.71 114.94 121.36 2blu s ASN 113 Ca -0.02 -0.39 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 2blu s ASN 113 Cb -0.04 -0.51 0.08 0.00 -1.45 0.00 0.00 41.25 39.33 2blu s ASN 113 CO -0.03 0.32 0.06 0.12 -3.72 0.00 0.00 177.10 173.86 2blu s PHE 114 N -0.62 1.44 0.07 0.43 5.36 0.18 -0.71 117.98 124.13 2blu s PHE 114 Ca 0.10 -1.37 0.05 0.00 -0.96 0.00 0.00 56.93 54.74 2blu s PHE 114 Cb -0.10 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.14 2blu s PHE 114 CO -0.00 -0.77 -0.13 -1.12 -1.46 0.00 0.00 175.22 171.73 2blu s SER 115 N 1.71 1.57 0.52 6.13 0.01 -0.59 -1.19 113.70 121.86 2blu s SER 115 Ca 0.04 -0.60 -0.20 0.00 1.31 0.00 0.00 55.95 56.50 2blu s SER 115 Cb -0.17 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.95 2blu s SER 115 CO -0.18 -0.09 1.14 -2.16 0.41 0.00 0.00 173.24 172.36 2blu s PRO 116 N -1.68 3.48 0.00 12.44 0.04 -1.26 -0.52 135.00 147.50 2blu s PRO 116 Ca -0.03 1.65 0.20 0.00 0.04 0.00 0.00 61.00 62.86 2blu s PRO 116 Cb -0.10 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 32.45 2blu s PRO 116 CO 0.02 -0.75 1.10 0.25 0.04 0.00 0.00 177.00 177.66 2blu n THR 117 N -1.06 0.00 -4.70 1.26 -2.24 0.28 -4.75 114.28 103.07 2blu n THR 117 Ca 0.10 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 61.10 2blu n THR 117 Cb 0.50 1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 70.03 2blu n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2blu s THR 118 N -1.70 1.45 0.63 4.28 -4.23 -1.25 -4.97 115.64 109.85 2blu s THR 118 Ca 0.22 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 2blu s THR 118 Cb 0.16 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2blu s THR 118 CO 0.28 0.00 1.04 -0.13 -0.54 0.00 0.00 174.62 175.26 2blu s ARG 119 N -3.83 3.48 0.00 3.99 0.52 -1.26 -4.64 118.95 117.21 2blu s ARG 119 Ca 0.16 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 2blu s ARG 119 Cb 0.04 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2blu s ARG 119 CO 0.08 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.16 2blu n GLY 120 N -2.73 0.86 3.76 -3.53 0.00 -1.26 -4.63 105.19 97.66 2blu n GLY 120 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2blu n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2blu s ARG 122 N -3.31 2.99 0.66 0.00 1.70 -1.26 -4.79 118.95 114.94 2blu s ARG 122 Ca 0.12 -1.12 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2blu s ARG 122 Cb -0.02 -2.77 0.09 0.00 -0.57 0.00 0.00 34.95 31.69 2blu s ARG 122 CO 0.03 -0.05 0.92 0.20 -1.08 0.00 0.00 175.30 175.31 2blu s GLY 123 N -4.22 1.78 0.11 3.88 0.00 -1.26 -4.58 107.32 103.02 2blu s GLY 123 Ca 0.48 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.66 2blu s GLY 123 CO 0.31 -1.14 -0.16 -1.34 0.00 0.00 0.00 173.10 170.78 2blu s VAL 124 N -3.00 1.41 -0.10 1.40 -7.23 -0.33 -4.98 120.40 107.56 2blu s VAL 124 Ca 0.63 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.11 2blu s VAL 124 Cb -0.07 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.46 2blu s VAL 124 CO 0.42 -0.27 0.30 -0.60 -0.31 0.00 0.00 175.10 174.65 2blu s ARG 125 N -2.23 0.40 -0.35 4.82 3.52 -1.26 -0.64 118.95 123.20 2blu s ARG 125 Ca 0.06 0.32 -0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2blu s ARG 125 Cb -0.08 0.19 0.12 0.00 -1.56 0.00 0.00 34.95 33.63 2blu s ARG 125 CO 0.03 -0.06 0.18 0.00 -0.81 0.00 0.00 175.30 174.64 2blu n ALA 127 N 4.32 2.03 -1.10 0.00 0.00 -1.26 -0.93 120.51 123.57 2blu n ALA 127 Ca 0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 2blu n ALA 127 Cb 0.38 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.98 2blu n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2blu s ALA 128 N -0.53 1.35 -1.41 0.00 0.00 -1.26 -4.90 121.76 115.01 2blu s ALA 128 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2blu s ALA 128 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.97 2blu s ALA 128 CO 0.00 -2.53 2.31 -3.47 0.00 0.00 0.00 175.76 172.07 2blu n ASP 129 N -4.01 6.24 -0.27 0.00 2.03 -1.26 -4.71 116.55 114.56 2blu n ASP 129 Ca 0.07 -2.94 -0.03 0.00 0.52 0.00 0.00 54.79 52.41 2blu n ASP 129 Cb 0.55 -1.51 0.15 0.00 -0.72 0.00 0.00 41.12 39.58 2blu n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2blu h ILE 130 N 3.38 1.24 -0.20 5.18 2.04 -1.97 -1.71 117.51 125.47 2blu h ILE 130 Ca 0.61 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2blu h ILE 130 Cb 0.48 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2blu h ILE 130 CO 1.69 0.27 0.05 0.58 0.00 0.00 0.00 178.15 180.74 2blu h VAL 131 N 1.13 1.20 -0.33 1.67 2.07 -1.89 -0.21 116.25 119.89 2blu h VAL 131 Ca 0.29 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2blu h VAL 131 Cb 0.03 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2blu h VAL 131 CO -0.05 0.20 0.05 1.23 0.02 0.00 0.00 177.57 179.03 2blu h GLY 132 N 0.14 0.53 -0.60 2.17 0.00 -1.90 -2.90 103.07 100.52 2blu h GLY 132 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2blu h GLY 132 CO 0.00 0.27 -0.21 -1.06 0.00 0.00 0.00 176.54 175.54 2blu n GLN 133 N -4.33 1.38 -1.61 4.80 1.13 -0.67 -5.00 117.38 113.09 2blu n GLN 133 Ca 0.02 -0.97 -0.48 0.00 -1.94 0.00 0.00 57.00 53.63 2blu n GLN 133 Cb 0.20 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 2blu n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2blu n PRO 135 N 1.92 1.81 -0.25 0.00 -0.02 -1.26 -4.81 135.00 132.38 2blu n PRO 135 Ca 0.14 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 2blu n PRO 135 Cb 0.26 -2.19 0.19 0.00 -0.02 0.00 0.00 33.50 31.75 2blu n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2blu h ALA 136 N 2.20 1.02 0.00 3.55 0.00 -1.98 -0.29 119.26 123.76 2blu h ALA 136 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2blu h ALA 136 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2blu h ALA 136 CO 0.61 -0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.42 2blu h LYS 137 N 0.32 0.00 -0.00 0.00 1.57 -2.02 -2.92 116.57 113.53 2blu h LYS 137 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2blu h LYS 137 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2blu h LYS 137 CO -0.48 0.00 -0.84 1.28 -0.57 0.00 0.00 179.45 178.84 2blu n LEU 138 N -2.70 0.85 -4.73 2.94 4.77 -0.15 -4.97 117.00 113.02 2blu n LEU 138 Ca 0.01 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 2blu n LEU 138 Cb 0.28 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2blu n LEU 138 CO 0.24 0.21 1.21 -0.54 -1.33 0.00 0.00 177.39 177.18 2blu s LYS 139 N -2.99 4.21 -0.22 3.23 1.02 -1.04 -0.41 119.74 123.53 2blu s LYS 139 Ca 0.09 2.40 -0.18 0.00 0.02 0.00 0.00 55.97 58.31 2blu s LYS 139 Cb 0.17 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2blu s LYS 139 CO 0.81 -0.57 0.49 0.00 -0.92 0.00 0.00 175.35 175.16 2blu s ALA 140 N 0.65 3.56 0.48 5.17 0.00 -0.69 -4.84 121.76 126.09 2blu s ALA 140 Ca 0.66 -0.51 0.21 0.00 0.00 0.00 0.00 51.96 52.33 2blu s ALA 140 Cb -0.44 -2.80 1.33 0.00 0.00 0.00 0.00 23.12 21.21 2blu s ALA 140 CO 0.37 -0.52 2.09 -1.35 0.00 0.00 0.00 175.76 176.35 2blu h PRO 141 N 7.65 0.00 0.00 0.00 0.11 -1.92 0.16 132.00 138.00 2blu h PRO 141 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2blu h PRO 141 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2blu h PRO 141 CO 0.72 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 2blu n GLY 142 N -1.06 -1.07 0.00 -0.55 0.00 -1.26 -4.99 105.19 96.26 2blu n GLY 142 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2blu n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blu n GLY 143 N 0.40 3.39 0.49 -0.02 0.00 0.56 -4.68 105.19 105.33 2blu n GLY 143 Ca 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2blu n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2blu n GLY 144 N -0.14 -3.21 2.95 -0.02 0.00 -1.26 -4.55 105.19 98.96 2blu n GLY 144 Ca 0.00 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2blu n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2blu s ASN 146 N 1.31 5.58 0.68 0.00 0.01 0.46 -1.21 114.94 121.77 2blu s ASN 146 Ca -0.03 1.98 -0.11 0.00 -0.71 0.00 0.00 52.86 53.99 2blu s ASN 146 Cb -0.19 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 38.91 2blu s ASN 146 CO -0.07 -1.31 1.05 1.51 -1.51 0.00 0.00 177.10 176.77 2blu s ASP 147 N -2.37 5.59 0.39 -1.22 -4.77 -1.26 -4.82 116.67 108.20 2blu s ASP 147 Ca 0.67 1.57 0.18 0.00 -3.30 0.00 0.00 52.55 51.68 2blu s ASP 147 Cb -0.20 -2.49 0.78 0.00 -1.09 0.00 0.00 42.92 39.92 2blu s ASP 147 CO 0.34 -1.30 1.80 0.00 0.70 0.00 0.00 175.17 176.70 2blu h ALA 148 N -0.61 1.13 0.08 2.11 0.00 -1.92 -2.71 119.26 117.34 2blu h ALA 148 Ca -0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2blu h ALA 148 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2blu h ALA 148 CO 0.58 0.45 -0.04 0.00 0.00 0.00 0.00 179.25 180.24 2blu h THR 150 N -0.23 0.61 -0.04 0.00 2.02 -1.86 0.29 112.91 113.68 2blu h THR 150 Ca -0.01 -0.09 -0.16 0.00 0.77 0.00 0.00 66.41 66.92 2blu h THR 150 Cb 0.19 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2blu h THR 150 CO 0.02 0.05 -0.59 0.58 0.37 0.00 0.00 175.52 175.95 2blu h VAL 151 N 0.27 1.39 0.00 3.16 2.07 -1.32 -3.40 116.25 118.42 2blu h VAL 151 Ca 0.35 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2blu h VAL 151 Cb 0.54 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2blu h VAL 151 CO -0.43 0.59 -1.07 0.49 0.02 0.00 0.00 177.57 177.16 2blu n PHE 152 N -4.20 0.00 -3.72 1.57 3.72 -0.22 -5.03 117.46 109.58 2blu n PHE 152 Ca -0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.07 2blu n PHE 152 Cb 0.66 -0.13 0.04 0.00 -0.94 0.00 0.00 39.48 39.10 2blu n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2blu n GLN 153 N -1.61 -5.51 -4.08 -1.08 1.13 0.08 -4.99 117.38 101.31 2blu n GLN 153 Ca -0.01 0.66 -0.24 0.00 -1.94 0.00 0.00 57.00 55.47 2blu n GLN 153 Cb 0.19 -5.39 -0.05 0.00 0.11 0.00 0.00 30.24 25.10 2blu n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2blu s THR 154 N -3.51 4.54 0.33 5.09 -4.23 -1.26 -5.01 115.64 111.58 2blu s THR 154 Ca 0.23 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 2blu s THR 154 Cb -0.11 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.62 2blu s THR 154 CO 0.80 -0.20 1.98 -1.28 -0.54 0.00 0.00 174.62 175.38 2blu h SER 155 N 2.02 0.83 -0.39 3.99 0.87 -1.96 -0.64 113.55 118.27 2blu h SER 155 Ca -0.48 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.01 2blu h SER 155 Cb 1.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2blu h SER 155 CO 0.62 0.59 0.04 -0.08 -0.53 0.00 0.00 176.83 177.48 2blu h GLU 156 N 0.97 0.67 -0.01 2.24 4.57 -1.97 0.24 114.58 121.29 2blu h GLU 156 Ca 0.28 -0.19 -0.21 0.00 -1.18 0.00 0.00 59.36 58.06 2blu h GLU 156 Cb -0.05 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2blu h GLU 156 CO -0.07 0.73 -0.89 1.88 -1.18 0.00 0.00 179.01 179.48 2blu h TYR 157 N 0.51 0.52 0.00 0.92 0.05 -1.86 -3.29 116.97 113.83 2blu h TYR 157 Ca 0.12 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.62 2blu h TYR 157 Cb 0.40 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2blu h TYR 157 CO 0.03 1.08 -0.48 0.00 -1.05 0.00 0.00 178.16 177.74 2blu h THR 160 N -2.21 1.26 -0.00 0.00 2.02 -1.78 -2.82 112.91 109.37 2blu h THR 160 Ca -0.59 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2blu h THR 160 Cb 1.36 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2blu h THR 160 CO 0.57 0.34 -0.34 0.35 0.37 0.00 0.00 175.52 176.81 2blu n THR 161 N -4.27 0.00 -1.01 3.16 -2.24 -1.26 -4.95 114.28 103.71 2blu n THR 161 Ca 0.06 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2blu n THR 161 Cb 0.21 0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2blu n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2blu n GLY 162 N 1.49 0.46 0.67 3.38 0.00 -1.07 -4.98 105.19 105.15 2blu n GLY 162 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2blu n GLY 162 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2blu n LYS 163 N -2.63 2.77 -1.74 1.61 5.02 -1.26 -5.09 118.16 116.84 2blu n LYS 163 Ca -0.00 -2.04 -0.31 0.00 -2.02 0.00 0.00 58.31 53.93 2blu n LYS 163 Cb 0.06 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2blu n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2blu s GLY 165 N -3.72 2.73 0.80 0.00 0.00 -1.26 -4.87 107.32 100.99 2blu s GLY 165 Ca 0.58 -0.69 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 2blu s GLY 165 CO 0.51 -2.08 1.15 2.56 0.00 0.00 0.00 173.10 175.25 2blu s PRO 166 N -4.11 1.83 0.20 2.90 0.04 -1.26 -4.98 135.00 129.64 2blu s PRO 166 Ca 0.18 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.76 2blu s PRO 166 Cb -0.01 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2blu s PRO 166 CO 0.11 -2.02 0.06 0.95 0.04 0.00 0.00 177.00 176.15 2blu s THR 167 N -2.43 0.45 0.21 1.26 -4.23 -1.26 -5.00 115.64 104.64 2blu s THR 167 Ca 0.68 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.11 2blu s THR 167 Cb -0.24 -2.36 0.19 0.00 1.34 0.00 0.00 72.50 71.44 2blu s THR 167 CO 0.51 -0.22 1.67 -0.33 -0.54 0.00 0.00 174.62 175.71 2blu h GLU 168 N 2.59 0.14 -0.24 3.99 5.08 -1.99 -0.21 114.58 123.94 2blu h GLU 168 Ca -0.37 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2blu h GLU 168 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2blu h GLU 168 CO 0.60 0.09 -0.03 1.88 -1.00 0.00 0.00 179.01 180.55 2blu h TYR 169 N 0.14 0.50 -0.66 4.33 0.05 -2.00 -2.38 116.97 116.95 2blu h TYR 169 Ca 0.33 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.99 2blu h TYR 169 Cb 0.53 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 2blu h TYR 169 CO -0.34 0.65 0.33 0.66 -1.05 0.00 0.00 178.16 178.41 2blu h SER 170 N 0.20 0.83 0.39 3.88 4.64 -1.73 -2.23 113.55 119.53 2blu h SER 170 Ca 0.06 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2blu h SER 170 Cb 0.47 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2blu h SER 170 CO 0.02 0.69 -0.24 0.03 -0.87 0.00 0.00 176.83 176.46 2blu h ARG 171 N 0.92 0.00 -0.10 4.77 3.08 -0.74 -0.71 114.38 121.60 2blu h ARG 171 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2blu h ARG 171 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2blu h ARG 171 CO -0.03 0.24 0.04 0.35 -1.07 0.00 0.00 179.97 179.49 2blu h PHE 172 N 0.00 0.16 -0.58 3.04 3.57 -0.89 0.50 116.94 122.73 2blu h PHE 172 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2blu h PHE 172 Cb 0.50 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2blu h PHE 172 CO 0.00 0.28 0.11 0.74 -2.23 0.00 0.00 178.31 177.21 2blu h PHE 173 N -0.01 0.97 -0.44 0.41 0.04 -1.31 -2.06 116.94 114.53 2blu h PHE 173 Ca 0.03 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 2blu h PHE 173 Cb 0.20 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2blu h PHE 173 CO -0.01 0.82 -0.22 -0.22 -0.60 0.00 0.00 178.31 178.08 2blu h LYS 174 N 0.88 0.90 -0.00 1.51 1.63 -1.00 0.64 116.57 121.12 2blu h LYS 174 Ca 0.18 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2blu h LYS 174 Cb 0.36 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2blu h LYS 174 CO 0.01 1.02 0.00 -0.09 -3.45 0.00 0.00 179.45 176.94 2blu h ARG 175 N 0.78 0.00 -0.26 1.90 2.43 -0.62 -2.06 114.38 116.55 2blu h ARG 175 Ca 0.10 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 2blu h ARG 175 Cb 0.77 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2blu h ARG 175 CO 0.06 0.09 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.23 2blu h LEU 176 N -0.08 0.56 -6.49 3.80 -0.00 -1.27 -3.39 115.31 108.44 2blu h LEU 176 Ca 0.00 -0.22 -0.59 0.00 -0.00 0.00 0.00 57.88 57.07 2blu h LEU 176 Cb 0.08 -0.15 -0.39 0.00 -0.00 0.00 0.00 40.66 40.20 2blu h LEU 176 CO -0.00 0.84 -0.91 0.00 -0.00 0.00 0.00 178.44 178.37 2blu h PRO 178 N 5.88 0.00 -0.19 0.00 0.11 -1.58 -2.89 132.00 133.33 2blu h PRO 178 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2blu h PRO 178 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2blu h PRO 178 CO 0.39 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.71 2blu n ASP 179 N -3.60 1.81 -4.37 -2.05 2.03 -1.26 -4.86 116.55 104.25 2blu n ASP 179 Ca -0.03 -1.74 -0.29 0.00 0.52 0.00 0.00 54.79 53.24 2blu n ASP 179 Cb 0.08 -0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.23 2blu n ASP 179 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2blu s ALA 180 N -1.76 2.33 0.19 -1.67 0.00 -1.09 -4.57 121.76 115.19 2blu s ALA 180 Ca 0.32 -1.39 -0.32 0.00 0.00 0.00 0.00 51.96 50.57 2blu s ALA 180 Cb 0.18 -0.42 -0.12 0.00 0.00 0.00 0.00 23.12 22.75 2blu s ALA 180 CO 0.26 0.54 1.71 1.19 0.00 0.00 0.00 175.76 179.46 2blu n PHE 181 N 1.27 2.67 0.16 0.00 3.01 -0.40 -4.81 117.46 119.35 2blu n PHE 181 Ca -0.18 0.06 0.07 0.00 1.01 0.00 0.00 57.45 58.42 2blu n PHE 181 Cb 0.53 -2.66 -0.10 0.00 -0.01 0.00 0.00 39.48 37.23 2blu n PHE 181 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2blu n SER 182 N 4.01 1.44 -3.88 4.37 3.41 -1.26 -0.45 113.62 121.26 2blu n SER 182 Ca 0.16 -0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.50 2blu n SER 182 Cb 0.34 1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 65.76 2blu n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2blu s TYR 183 N -2.84 -0.10 0.24 7.33 1.13 -1.26 -4.62 117.35 117.23 2blu s TYR 183 Ca -0.03 -0.34 -0.06 0.00 -1.41 0.00 0.00 57.07 55.24 2blu s TYR 183 Cb 0.10 0.61 0.25 0.00 -1.10 0.00 0.00 41.96 41.82 2blu s TYR 183 CO 0.60 -1.19 1.86 0.28 -2.51 0.00 0.00 175.55 174.59 2blu h VAL 184 N 2.05 1.25 -0.65 -3.49 2.07 -1.93 -2.38 116.25 113.18 2blu h VAL 184 Ca -0.21 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2blu h VAL 184 Cb 1.25 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2blu h VAL 184 CO 0.26 0.29 0.12 0.18 0.02 0.00 0.00 177.57 178.44 2blu n LEU 185 N -4.33 5.87 -4.71 2.57 4.77 -1.26 -4.99 117.00 114.93 2blu n LEU 185 Ca 0.09 -3.02 -0.36 0.00 -0.03 0.00 0.00 56.01 52.69 2blu n LEU 185 Cb 0.11 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.57 2blu n LEU 185 CO 0.39 0.70 0.83 -0.67 -1.33 0.00 0.00 177.39 177.31 2blu n ASP 186 N 0.28 1.66 -4.68 -1.43 -0.08 -0.90 -4.88 116.55 106.54 2blu n ASP 186 Ca 0.33 0.76 -0.45 0.00 -1.51 0.00 0.00 54.79 53.93 2blu n ASP 186 Cb 1.28 -1.53 -0.04 0.00 2.34 0.00 0.00 41.12 43.17 2blu n ASP 186 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2blu n LYS 187 N -2.14 2.55 -1.77 -0.67 4.81 -1.26 -4.85 118.16 114.82 2blu n LYS 187 Ca 0.15 0.93 -0.41 0.00 -0.87 0.00 0.00 58.31 58.11 2blu n LYS 187 Cb 0.49 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.72 2blu n LYS 187 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2blu n PRO 188 N 6.25 2.64 -0.55 1.64 -0.02 -1.26 -4.92 135.00 138.78 2blu n PRO 188 Ca 0.20 0.93 0.04 0.00 -2.02 0.00 0.00 63.50 62.64 2blu n PRO 188 Cb 0.35 -2.66 0.20 0.00 -0.02 0.00 0.00 33.50 31.37 2blu n PRO 188 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2blu n THR 189 N 0.39 2.28 -2.39 3.45 -2.24 -1.26 -5.04 114.28 109.46 2blu n THR 189 Ca 0.01 -2.73 -0.41 0.00 -2.27 0.00 0.00 64.05 58.65 2blu n THR 189 Cb 0.39 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 2blu n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2blu s THR 190 N -3.13 3.57 -0.15 4.28 2.01 -1.26 -4.76 115.64 116.20 2blu s THR 190 Ca 0.40 1.35 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 2blu s THR 190 Cb 0.36 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2blu s THR 190 CO -0.01 0.23 0.04 -0.69 -0.69 0.00 0.00 174.62 173.49 2blu s VAL 191 N -0.18 4.58 -0.21 3.82 1.01 0.22 -4.94 120.40 124.70 2blu s VAL 191 Ca 0.52 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2blu s VAL 191 Cb -0.32 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2blu s VAL 191 CO 0.37 0.52 0.57 -0.89 0.00 0.00 0.00 175.10 175.67 2blu s THR 192 N -0.08 5.06 0.28 3.92 2.01 -1.26 -1.57 115.64 124.00 2blu s THR 192 Ca 0.05 1.04 0.10 0.00 0.31 0.00 0.00 61.69 63.20 2blu s THR 192 Cb -0.12 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2blu s THR 192 CO 0.01 0.13 -0.07 0.00 -0.69 0.00 0.00 174.62 174.00 2blu n PRO 194 N -0.81 1.42 -1.70 0.00 -0.02 -1.26 -0.72 135.00 131.91 2blu n PRO 194 Ca -0.06 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 2blu n PRO 194 Cb 0.60 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.98 2blu n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2blu n GLY 195 N 1.13 0.57 2.29 -1.23 0.00 -0.94 -2.39 105.19 104.61 2blu n GLY 195 Ca 0.09 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2blu n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2blu n SER 196 N 0.34 -4.22 -4.71 1.61 7.64 -1.26 -4.90 113.62 108.11 2blu n SER 196 Ca 0.06 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 2blu n SER 196 Cb 0.39 -3.37 0.14 0.00 -1.01 0.00 0.00 64.21 60.35 2blu n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2blu s SER 197 N -2.43 3.41 0.30 6.43 0.01 -1.01 -4.99 113.70 115.43 2blu s SER 197 Ca 0.02 1.48 0.10 0.00 1.31 0.00 0.00 55.95 58.86 2blu s SER 197 Cb -0.01 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 2blu s SER 197 CO 0.02 -2.67 -0.08 0.20 0.41 0.00 0.00 173.24 171.12 2blu s ASN 198 N -3.41 4.03 0.13 2.44 0.01 -1.26 -4.64 114.94 112.23 2blu s ASN 198 Ca 0.64 -0.93 -0.05 0.00 -0.71 0.00 0.00 52.86 51.81 2blu s ASN 198 Cb -0.18 -0.52 -0.02 0.00 0.41 0.00 0.00 41.25 40.94 2blu s ASN 198 CO 0.57 -0.07 0.14 -0.31 -1.51 0.00 0.00 177.10 175.92 2blu s TYR 199 N -2.47 0.57 -0.04 2.20 2.02 -0.54 -0.56 117.35 118.53 2blu s TYR 199 Ca 0.32 -0.97 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2blu s TYR 199 Cb -0.03 -0.27 0.02 0.00 -0.40 0.00 0.00 41.96 41.27 2blu s TYR 199 CO 0.18 -0.57 -0.06 0.50 -1.57 0.00 0.00 175.55 174.02 2blu s ARG 200 N -3.98 0.98 -0.24 -0.62 3.52 0.32 -1.12 118.95 117.80 2blu s ARG 200 Ca 0.17 -0.19 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 2blu s ARG 200 Cb 0.06 -0.92 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 2blu s ARG 200 CO -0.02 -0.02 0.02 0.08 -0.81 0.00 0.00 175.30 174.55 2blu s VAL 201 N 0.71 3.89 -0.19 7.11 1.01 0.16 -1.53 120.40 131.55 2blu s VAL 201 Ca -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2blu s VAL 201 Cb -0.13 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2blu s VAL 201 CO 0.01 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.48 2blu s THR 202 N 1.55 2.88 0.11 3.92 2.01 0.12 -0.51 115.64 125.72 2blu s THR 202 Ca 0.06 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 2blu s THR 202 Cb -0.15 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 2blu s THR 202 CO 0.01 0.48 0.79 -0.36 -0.69 0.00 0.00 174.62 174.84 2blu s PHE 203 N 1.24 3.83 -1.13 4.92 0.08 0.01 -0.86 117.98 126.06 2blu s PHE 203 Ca 0.03 1.58 -0.11 0.00 0.12 0.00 0.00 56.93 58.55 2blu s PHE 203 Cb -0.14 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2blu s PHE 203 CO -0.05 0.39 0.84 0.00 -0.10 0.00 0.00 175.22 176.30 2blu h PRO 205 N -1.56 0.00 0.00 0.00 0.13 -1.80 -3.40 132.00 125.36 2blu h PRO 205 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2blu h PRO 205 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2blu h PRO 205 CO 0.48 0.18 0.00 0.25 -0.23 0.00 0.00 178.00 178.68