#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b5h s GLY 24 N 0.00 0.94 0.13 0.00 0.00 -1.26 -4.80 107.32 102.34 3b5h s GLY 24 Ca 0.00 -1.44 -0.21 0.00 0.00 0.00 0.00 44.72 43.07 3b5h s GLY 24 CO 0.00 -1.49 0.65 -0.51 0.00 0.00 0.00 173.10 171.76 3b5h s THR 25 N -3.62 4.61 -0.20 0.90 -4.23 -1.04 -4.89 115.64 107.17 3b5h s THR 25 Ca 0.16 1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 61.97 3b5h s THR 25 Cb 0.05 -3.95 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 3b5h s THR 25 CO -0.01 0.46 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.81 3b5h s VAL 26 N -1.22 3.73 0.19 2.29 1.01 -1.26 -1.55 120.40 123.59 3b5h s VAL 26 Ca 0.34 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.02 3b5h s VAL 26 Cb -0.20 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3b5h s VAL 26 CO 0.21 0.43 -0.04 0.72 0.00 0.00 0.00 175.10 176.42 3b5h s PHE 27 N 1.06 2.73 0.07 5.22 -0.12 -0.65 -4.95 117.98 121.34 3b5h s PHE 27 Ca 0.02 -0.18 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 3b5h s PHE 27 Cb -0.14 -1.32 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 3b5h s PHE 27 CO 0.01 0.53 -0.11 0.95 -0.05 0.00 0.00 175.22 176.55 3b5h s THR 28 N -1.78 0.85 0.09 -4.49 -4.23 -1.26 -1.11 115.64 103.71 3b5h s THR 28 Ca 0.27 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.54 3b5h s THR 28 Cb -0.09 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 3b5h s THR 28 CO 0.17 -0.36 -0.16 0.42 -0.54 0.00 0.00 174.62 174.16 3b5h s THR 29 N -1.58 1.28 -0.05 3.99 -4.23 -0.92 -5.00 115.64 109.14 3b5h s THR 29 Ca -0.03 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3b5h s THR 29 Cb -0.08 -1.27 0.02 0.00 1.34 0.00 0.00 72.50 72.51 3b5h s THR 29 CO 0.01 -0.23 -0.04 0.54 -0.54 0.00 0.00 174.62 174.36 3b5h s VAL 30 N -1.42 0.53 -0.04 2.29 0.11 -1.26 -1.87 120.40 118.73 3b5h s VAL 30 Ca 0.02 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 3b5h s VAL 30 Cb -0.09 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3b5h s VAL 30 CO 0.03 0.24 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.30 3b5h s GLU 31 N 1.10 1.48 -0.39 1.54 2.02 -0.79 -4.97 118.70 118.70 3b5h s GLU 31 Ca -0.08 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.18 3b5h s GLU 31 Cb -0.14 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.82 3b5h s GLU 31 CO -0.01 0.13 1.21 0.34 0.02 0.00 0.00 175.26 176.95 3b5h s ASP 32 N 0.30 6.65 -0.18 -0.19 -1.08 -1.26 -0.49 116.67 120.42 3b5h s ASP 32 Ca -0.07 0.82 0.11 0.00 -0.52 0.00 0.00 52.55 52.89 3b5h s ASP 32 Cb -0.12 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.44 3b5h s ASP 32 CO 0.02 -1.17 1.49 0.18 0.52 0.00 0.00 175.17 176.21 3b5h n LEU 33 N 7.78 4.72 0.00 -1.34 4.77 0.31 -4.97 117.00 128.26 3b5h n LEU 33 Ca 0.13 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 3b5h n LEU 33 Cb 0.48 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3b5h n LEU 33 CO 0.67 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3b5h n GLY 34 N 0.52 2.14 0.08 -0.72 0.00 -1.26 -4.16 105.19 101.79 3b5h n GLY 34 Ca 0.22 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3b5h n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b5h n SER 35 N 4.24 0.77 -3.85 1.61 3.41 -1.26 -4.94 113.62 113.59 3b5h n SER 35 Ca 0.00 -0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 57.95 3b5h n SER 35 Cb 0.00 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3b5h n SER 35 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3b5h s LYS 36 N -2.87 0.89 -0.16 4.33 1.02 -1.26 -2.67 119.74 119.02 3b5h s LYS 36 Ca 0.14 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3b5h s LYS 36 Cb 0.18 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.81 3b5h s LYS 36 CO 0.68 -0.29 -0.04 0.42 -0.92 0.00 0.00 175.35 175.20 3b5h s ILE 37 N -3.87 3.83 -0.30 2.17 -1.09 -0.63 0.11 121.20 121.42 3b5h s ILE 37 Ca 0.06 -0.38 -0.18 0.00 -2.23 0.00 0.00 60.65 57.92 3b5h s ILE 37 Cb 0.05 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3b5h s ILE 37 CO -0.10 0.49 0.53 -0.22 -1.23 0.00 0.00 174.94 174.41 3b5h s LEU 38 N 0.40 4.17 -0.16 2.97 0.20 0.36 -1.20 118.68 125.42 3b5h s LEU 38 Ca -0.04 0.30 -0.07 0.00 0.69 0.00 0.00 54.13 55.01 3b5h s LEU 38 Cb -0.14 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 3b5h s LEU 38 CO 0.03 -0.39 0.07 -0.76 -0.29 0.00 0.00 176.35 175.01 3b5h s LEU 39 N 2.40 3.91 0.03 -0.68 1.02 0.05 -1.88 118.68 123.52 3b5h s LEU 39 Ca 0.21 0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.53 3b5h s LEU 39 Cb -0.15 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 3b5h s LEU 39 CO 0.11 0.24 -0.05 0.42 0.02 0.00 0.00 176.35 177.09 3b5h s THR 40 N -0.01 0.29 -0.01 5.49 -4.23 -0.78 -0.78 115.64 115.60 3b5h s THR 40 Ca 0.07 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3b5h s THR 40 Cb -0.12 -0.40 -0.00 0.00 1.34 0.00 0.00 72.50 73.32 3b5h s THR 40 CO 0.01 -0.43 -0.09 0.00 -0.54 0.00 0.00 174.62 173.56 3b5h s SER 42 N -0.11 1.94 -0.06 0.00 0.01 -0.27 -0.59 113.70 114.62 3b5h s SER 42 Ca 0.02 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 3b5h s SER 42 Cb -0.05 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3b5h s SER 42 CO -0.00 0.13 0.12 -0.22 0.41 0.00 0.00 173.24 173.69 3b5h s LEU 43 N -0.82 4.19 -0.01 2.44 0.20 -0.78 -1.63 118.68 122.26 3b5h s LEU 43 Ca 0.05 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.20 3b5h s LEU 43 Cb -0.07 -2.25 0.01 0.00 -0.43 0.00 0.00 46.19 43.44 3b5h s LEU 43 CO 0.01 0.33 -0.00 0.21 -0.29 0.00 0.00 176.35 176.61 3b5h s ASN 44 N -1.45 0.19 -1.42 3.68 3.84 -0.59 -4.87 114.94 114.32 3b5h s ASN 44 Ca 0.20 -0.01 -0.11 0.00 0.21 0.00 0.00 52.86 53.16 3b5h s ASN 44 Cb -0.12 -0.07 0.04 0.00 -0.55 0.00 0.00 41.25 40.54 3b5h s ASN 44 CO 0.11 -0.04 1.11 0.47 -2.79 0.00 0.00 177.10 175.96 3b5h n ASP 45 N 3.53 -5.80 -3.99 -4.21 9.92 -1.26 -2.49 116.55 112.25 3b5h n ASP 45 Ca -0.19 -0.63 -0.31 0.00 -0.53 0.00 0.00 54.79 53.13 3b5h n ASP 45 Cb 0.55 -4.62 -0.15 0.00 -0.64 0.00 0.00 41.12 36.26 3b5h n ASP 45 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3b5h s SER 46 N -3.33 4.57 0.00 -2.24 0.15 -1.26 -4.49 113.70 107.11 3b5h s SER 46 Ca 0.61 -1.91 0.19 0.00 0.70 0.00 0.00 55.95 55.54 3b5h s SER 46 Cb -0.28 -1.50 0.92 0.00 -1.71 0.00 0.00 66.02 63.45 3b5h s SER 46 CO 0.77 -0.34 1.60 0.00 1.20 0.00 0.00 173.24 176.46 3b5h n ALA 47 N 4.38 1.97 -1.84 5.45 0.00 -1.26 -4.77 120.51 124.44 3b5h n ALA 47 Ca -0.01 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3b5h n ALA 47 Cb 0.42 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3b5h n ALA 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3b5h s THR 48 N -2.71 2.50 0.00 0.00 2.01 -1.26 -4.97 115.64 111.22 3b5h s THR 48 Ca 0.15 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 3b5h s THR 48 Cb 0.13 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3b5h s THR 48 CO 0.31 0.07 1.25 -0.70 -0.69 0.00 0.00 174.62 174.87 3b5h s GLU 49 N -0.64 4.36 -0.14 4.92 2.12 -1.26 -5.01 118.70 123.04 3b5h s GLU 49 Ca 0.59 1.79 -0.17 0.00 0.36 0.00 0.00 54.97 57.54 3b5h s GLU 49 Cb -0.43 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3b5h s GLU 49 CO 0.46 -0.41 0.44 0.54 -0.54 0.00 0.00 175.26 175.75 3b5h s VAL 50 N 1.82 5.20 -1.37 3.70 0.11 -1.26 -4.59 120.40 124.01 3b5h s VAL 50 Ca 0.59 0.86 0.13 0.00 -2.93 0.00 0.00 61.98 60.63 3b5h s VAL 50 Cb -0.28 -3.78 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 3b5h s VAL 50 CO 0.26 0.32 0.81 0.35 -3.33 0.00 0.00 175.10 173.50 3b5h n THR 51 N 3.80 0.00 0.00 5.04 -2.24 0.10 -4.08 114.28 116.90 3b5h n THR 51 Ca -0.08 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3b5h n THR 51 Cb 0.51 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 3b5h n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b5h n GLY 52 N 0.88 0.24 3.20 3.38 0.00 -0.99 -0.99 105.19 110.91 3b5h n GLY 52 Ca 0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3b5h n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b5h s HIS 53 N -2.00 1.18 -0.08 1.61 3.76 -1.19 -0.51 115.29 118.07 3b5h s HIS 53 Ca 0.00 -0.63 -0.03 0.00 -0.15 0.00 0.00 55.06 54.24 3b5h s HIS 53 Cb 0.00 -0.63 0.04 0.00 1.11 0.00 0.00 32.58 33.10 3b5h s HIS 53 CO 0.00 0.05 0.17 0.50 -0.85 0.00 0.00 174.74 174.61 3b5h s ARG 54 N -2.84 0.11 -0.16 1.40 3.52 0.47 -1.89 118.95 119.57 3b5h s ARG 54 Ca 0.07 0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 3b5h s ARG 54 Cb -0.03 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 3b5h s ARG 54 CO 0.01 -0.18 -0.07 -1.58 -0.81 0.00 0.00 175.30 172.67 3b5h s TRP 55 N 1.33 2.93 0.10 5.12 0.52 0.71 0.59 118.94 130.23 3b5h s TRP 55 Ca -0.08 -0.58 0.10 0.00 0.02 0.00 0.00 56.10 55.56 3b5h s TRP 55 Cb -0.11 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 3b5h s TRP 55 CO -0.07 -0.23 -0.25 -0.51 0.02 0.00 0.00 176.95 175.91 3b5h s LEU 56 N 0.66 2.26 -0.41 2.99 1.43 0.04 0.10 118.68 125.75 3b5h s LEU 56 Ca -0.04 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 3b5h s LEU 56 Cb -0.15 -1.15 0.20 0.00 0.03 0.00 0.00 46.19 45.12 3b5h s LEU 56 CO 0.02 0.18 0.46 1.17 0.23 0.00 0.00 176.35 178.41 3b5h n LYS 57 N 1.24 0.43 0.00 1.70 4.81 -1.26 -1.54 118.16 123.54 3b5h n LYS 57 Ca -0.18 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.22 3b5h n LYS 57 Cb 0.53 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.10 3b5h n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3b5h n GLY 58 N 2.26 1.29 3.42 3.14 0.00 -1.26 -4.90 105.19 109.13 3b5h n GLY 58 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 3b5h n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b5h s GLY 59 N 0.00 1.26 -0.21 -0.02 0.00 -1.26 -5.12 107.32 101.97 3b5h s GLY 59 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 3b5h s GLY 59 CO 0.00 -1.05 1.26 0.14 0.00 0.00 0.00 173.10 173.46 3b5h s VAL 60 N -3.72 4.26 -0.20 1.40 1.01 -1.26 -4.54 120.40 117.36 3b5h s VAL 60 Ca 0.31 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.85 3b5h s VAL 60 Cb 0.02 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 32.17 3b5h s VAL 60 CO 0.15 -0.24 -0.11 0.52 0.00 0.00 0.00 175.10 175.42 3b5h n VAL 61 N 5.64 1.20 -3.70 2.92 0.31 0.12 -4.95 118.33 119.86 3b5h n VAL 61 Ca 0.14 -0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 3b5h n VAL 61 Cb 0.45 -1.03 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 3b5h n VAL 61 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3b5h s LEU 62 N -5.92 0.03 0.03 7.52 2.96 -1.09 -5.00 118.68 117.21 3b5h s LEU 62 Ca -0.22 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3b5h s LEU 62 Cb 0.07 1.60 -0.02 0.00 0.50 0.00 0.00 46.19 48.33 3b5h s LEU 62 CO 0.55 -0.18 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.61 3b5h s LYS 63 N 0.68 0.39 -0.43 1.98 2.20 -1.26 -0.21 119.74 123.09 3b5h s LYS 63 Ca -0.03 -0.60 0.04 0.00 -0.36 0.00 0.00 55.97 55.02 3b5h s LYS 63 Cb -0.05 -0.10 0.29 0.00 -1.51 0.00 0.00 37.83 36.46 3b5h s LYS 63 CO -0.05 0.01 1.11 -0.85 -0.36 0.00 0.00 175.35 175.21 3b5h n GLU 64 N 1.73 0.67 0.00 4.03 -0.00 -0.79 -5.00 120.64 121.28 3b5h n GLU 64 Ca -0.22 -1.49 0.00 0.00 -0.00 0.00 0.00 57.16 55.45 3b5h n GLU 64 Cb 0.55 -0.92 0.00 0.00 -0.00 0.00 0.00 31.44 31.07 3b5h n GLU 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3b5h n ASP 65 N 0.98 0.00 0.00 -1.84 9.92 -1.26 -3.14 116.55 121.20 3b5h n ASP 65 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3b5h n ASP 65 Cb 0.69 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 3b5h n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3b5h n ALA 66 N -0.39 0.00 -1.84 2.24 0.00 -0.16 -4.72 120.51 115.64 3b5h n ALA 66 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3b5h n ALA 66 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3b5h n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3b5h s LEU 67 N 0.00 4.45 -0.12 0.00 1.43 -1.23 -4.55 118.68 118.67 3b5h s LEU 67 Ca 0.00 2.50 0.13 0.00 -1.03 0.00 0.00 54.13 55.73 3b5h s LEU 67 Cb 0.00 -3.63 0.58 0.00 0.03 0.00 0.00 46.19 43.17 3b5h s LEU 67 CO 0.00 -0.44 1.43 -0.81 0.23 0.00 0.00 176.35 176.76 3b5h n PRO 68 N 1.46 3.43 -1.36 1.29 -0.04 -1.26 -2.34 135.00 136.19 3b5h n PRO 68 Ca 0.02 -2.26 -0.40 0.00 -0.04 0.00 0.00 63.50 60.81 3b5h n PRO 68 Cb 0.43 -1.88 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 3b5h n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3b5h n GLY 69 N 0.76 -2.31 0.00 0.55 0.00 -1.26 -4.72 105.19 98.20 3b5h n GLY 69 Ca 0.20 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.25 3b5h n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3b5h n GLN 70 N 0.91 0.01 -4.26 1.61 -0.06 -1.26 -4.91 117.38 109.41 3b5h n GLN 70 Ca 0.10 -0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.93 3b5h n GLN 70 Cb 0.43 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.98 3b5h n GLN 70 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3b5h s LYS 71 N -3.01 0.69 0.06 3.69 2.20 -1.26 -1.86 119.74 120.25 3b5h s LYS 71 Ca 0.09 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 3b5h s LYS 71 Cb 0.16 -0.64 -0.03 0.00 -1.51 0.00 0.00 37.83 35.82 3b5h s LYS 71 CO 0.81 0.16 -0.13 0.99 -0.36 0.00 0.00 175.35 176.82 3b5h s THR 72 N -0.63 1.05 0.08 3.43 2.01 0.24 -4.97 115.64 116.85 3b5h s THR 72 Ca -0.00 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 60.81 3b5h s THR 72 Cb -0.06 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3b5h s THR 72 CO 0.00 -0.18 -0.06 -1.83 -0.69 0.00 0.00 174.62 171.86 3b5h s GLU 73 N -1.56 0.75 -0.18 4.92 -1.05 -1.26 -0.62 118.70 119.70 3b5h s GLU 73 Ca -0.02 -1.25 -0.13 0.00 -0.15 0.00 0.00 54.97 53.42 3b5h s GLU 73 Cb -0.09 -0.11 0.05 0.00 -0.44 0.00 0.00 34.13 33.54 3b5h s GLU 73 CO 0.02 -0.03 0.46 0.12 0.95 0.00 0.00 175.26 176.77 3b5h s PHE 74 N -3.48 -0.58 -0.24 4.83 5.36 0.04 -4.99 117.98 118.91 3b5h s PHE 74 Ca 0.09 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.32 3b5h s PHE 74 Cb 0.04 0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.95 3b5h s PHE 74 CO -0.05 -0.30 0.04 0.15 -1.46 0.00 0.00 175.22 173.59 3b5h s LYS 75 N 0.78 3.56 -0.09 10.12 1.02 -1.26 -0.77 119.74 133.09 3b5h s LYS 75 Ca -0.04 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.24 3b5h s LYS 75 Cb -0.05 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3b5h s LYS 75 CO -0.06 -0.20 0.45 0.08 -0.92 0.00 0.00 175.35 174.70 3b5h s VAL 76 N 1.57 5.15 0.50 3.17 1.01 -0.34 -4.92 120.40 126.54 3b5h s VAL 76 Ca 0.06 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 3b5h s VAL 76 Cb -0.15 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3b5h s VAL 76 CO 0.02 0.38 1.21 -1.81 0.00 0.00 0.00 175.10 174.90 3b5h s ASP 77 N 0.25 5.84 0.54 3.32 1.01 -1.26 -1.60 116.67 124.77 3b5h s ASP 77 Ca 0.25 2.40 0.21 0.00 0.71 0.00 0.00 52.55 56.12 3b5h s ASP 77 Cb -0.15 -2.61 1.39 0.00 1.01 0.00 0.00 42.92 42.56 3b5h s ASP 77 CO 0.11 -1.15 2.10 0.77 0.21 0.00 0.00 175.17 177.21 3b5h h SER 78 N 1.73 0.00 0.94 0.27 4.64 -1.87 0.37 113.55 119.63 3b5h h SER 78 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3b5h h SER 78 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3b5h h SER 78 CO 0.59 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.99 3b5h h ASP 79 N 0.00 0.00 -0.27 4.97 3.32 -1.91 -3.12 116.42 119.41 3b5h h ASP 79 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3b5h h ASP 79 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3b5h h ASP 79 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3b5h n ASP 80 N -2.59 2.94 -3.59 6.45 8.00 0.13 -4.84 116.55 123.04 3b5h n ASP 80 Ca 0.02 -1.86 -0.43 0.00 0.71 0.00 0.00 54.79 53.23 3b5h n ASP 80 Cb 0.28 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3b5h n ASP 80 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3b5h n GLN 81 N 1.05 1.38 -3.84 -1.24 7.27 -1.07 -4.72 117.38 116.21 3b5h n GLN 81 Ca 0.14 -1.75 -0.06 0.00 0.07 0.00 0.00 57.00 55.40 3b5h n GLN 81 Cb 0.48 -2.86 -0.02 0.00 2.41 0.00 0.00 30.24 30.26 3b5h n GLN 81 CO 0.00 0.00 0.00 1.67 0.07 0.00 0.00 177.06 178.80 3b5h s TRP 82 N 5.11 -0.18 0.05 3.69 1.48 -1.26 -3.11 118.94 124.72 3b5h s TRP 82 Ca 0.57 -0.26 0.00 0.00 -1.06 0.00 0.00 56.10 55.36 3b5h s TRP 82 Cb 0.14 0.70 0.00 0.00 -1.16 0.00 0.00 33.47 33.15 3b5h s TRP 82 CO 0.13 -1.17 0.00 0.41 -4.06 0.00 0.00 176.95 172.26 3b5h n GLY 83 N -0.46 -1.62 3.51 3.67 0.00 -1.26 -4.70 105.19 104.33 3b5h n GLY 83 Ca -0.04 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 3b5h n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3b5h s GLU 84 N -1.55 3.62 0.08 1.61 2.12 -1.26 -1.87 118.70 121.44 3b5h s GLU 84 Ca 0.00 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 3b5h s GLU 84 Cb 0.00 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3b5h s GLU 84 CO 0.00 -0.31 0.27 0.71 -0.54 0.00 0.00 175.26 175.39 3b5h s TYR 85 N 1.69 3.51 -0.03 5.30 1.51 0.88 -4.67 117.35 125.54 3b5h s TYR 85 Ca 0.06 0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 56.51 3b5h s TYR 85 Cb -0.16 -1.87 0.03 0.00 -0.11 0.00 0.00 41.96 39.84 3b5h s TYR 85 CO 0.08 0.54 0.03 -1.54 -1.11 0.00 0.00 175.55 173.56 3b5h s SER 86 N -2.38 0.45 0.08 2.29 1.04 -0.59 0.31 113.70 114.90 3b5h s SER 86 Ca 0.36 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.71 3b5h s SER 86 Cb -0.13 -0.12 -0.06 0.00 0.10 0.00 0.00 66.02 65.81 3b5h s SER 86 CO 0.25 -0.16 0.44 0.00 0.98 0.00 0.00 173.24 174.76 3b5h s VAL 88 N -1.34 -0.00 -0.15 0.00 0.11 0.20 -1.95 120.40 117.26 3b5h s VAL 88 Ca 0.32 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.32 3b5h s VAL 88 Cb -0.15 -0.03 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 3b5h s VAL 88 CO 0.17 0.00 0.03 -0.36 -3.33 0.00 0.00 175.10 171.61 3b5h s PHE 89 N 0.01 3.20 -0.04 1.54 0.40 -0.31 -0.39 117.98 122.39 3b5h s PHE 89 Ca -0.00 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 3b5h s PHE 89 Cb -0.00 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 3b5h s PHE 89 CO 0.00 0.22 0.11 -0.51 0.70 0.00 0.00 175.22 175.74 3b5h s LEU 90 N -0.01 4.10 0.26 -0.37 1.43 0.33 -3.49 118.68 120.94 3b5h s LEU 90 Ca 0.04 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 3b5h s LEU 90 Cb -0.13 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 3b5h s LEU 90 CO 0.01 0.31 0.86 -2.16 0.23 0.00 0.00 176.35 175.60 3b5h s PRO 91 N -1.58 4.53 0.65 1.29 0.04 -1.26 -0.72 135.00 137.95 3b5h s PRO 91 Ca 0.22 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 3b5h s PRO 91 Cb -0.12 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 3b5h s PRO 91 CO 0.12 0.39 0.98 0.39 0.04 0.00 0.00 177.00 178.92 3b5h n GLU 92 N 0.88 0.77 -1.48 4.56 1.02 -1.23 -3.09 120.64 122.09 3b5h n GLU 92 Ca -0.01 0.31 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 3b5h n GLU 92 Cb 0.50 -2.21 0.08 0.00 -0.02 0.00 0.00 31.44 29.79 3b5h n GLU 92 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3b5h n PRO 93 N -1.36 2.85 0.00 3.49 -0.04 -1.26 -5.05 135.00 133.63 3b5h n PRO 93 Ca 0.14 -3.51 0.03 0.00 -0.04 0.00 0.00 63.50 60.12 3b5h n PRO 93 Cb 0.48 -2.24 0.17 0.00 -0.04 0.00 0.00 33.50 31.87 3b5h n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b5h n MET 94 N -0.90 0.51 0.00 0.54 0.00 -1.18 -4.72 117.12 111.38 3b5h n MET 94 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.25 3b5h n MET 94 Cb 0.85 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.90 3b5h n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3b5h n GLY 95 N 0.02 3.36 3.63 3.17 0.00 -1.26 -4.71 105.19 109.40 3b5h n GLY 95 Ca 0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3b5h n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3b5h s THR 96 N -0.39 0.00 0.06 2.61 -1.32 -1.26 -1.16 115.64 114.19 3b5h s THR 96 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3b5h s THR 96 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3b5h s THR 96 CO 0.00 0.00 -0.05 0.00 -2.21 0.00 0.00 174.62 172.36 3b5h s ALA 97 N 0.28 0.65 -0.06 11.08 0.00 -0.82 -4.94 121.76 127.95 3b5h s ALA 97 Ca 0.01 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.83 3b5h s ALA 97 Cb -0.05 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3b5h s ALA 97 CO -0.02 -0.27 -0.08 -0.80 0.00 0.00 0.00 175.76 174.58 3b5h s ASN 98 N -2.71 4.53 -0.09 0.00 0.02 -1.26 -1.99 114.94 113.44 3b5h s ASN 98 Ca 0.05 -0.06 0.03 0.00 -1.02 0.00 0.00 52.86 51.85 3b5h s ASN 98 Cb 0.04 -1.10 0.01 0.00 0.02 0.00 0.00 41.25 40.22 3b5h s ASN 98 CO -0.06 0.35 -0.17 -0.63 0.02 0.00 0.00 177.10 176.61 3b5h s ILE 99 N -0.81 1.54 -0.12 0.60 1.01 0.15 -4.98 121.20 118.58 3b5h s ILE 99 Ca 0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3b5h s ILE 99 Cb -0.11 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 3b5h s ILE 99 CO 0.02 0.45 0.24 -1.58 0.00 0.00 0.00 174.94 174.06 3b5h s GLN 100 N 0.65 3.93 0.00 2.79 2.00 -1.26 -0.08 119.66 127.69 3b5h s GLN 100 Ca -0.14 0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.26 3b5h s GLN 100 Cb -0.16 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 3b5h s GLN 100 CO 0.04 0.50 0.07 -0.51 -0.50 0.00 0.00 175.29 174.89 3b5h s LEU 101 N -0.29 3.85 -0.62 3.68 1.43 -0.78 -5.01 118.68 120.93 3b5h s LEU 101 Ca 0.16 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3b5h s LEU 101 Cb -0.13 -2.27 0.17 0.00 0.03 0.00 0.00 46.19 43.99 3b5h s LEU 101 CO 0.05 0.26 0.44 -1.00 0.23 0.00 0.00 176.35 176.33 3b5h s HIS 102 N -1.20 2.99 0.00 0.29 3.76 -1.26 -4.19 115.29 115.68 3b5h s HIS 102 Ca 0.23 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.05 3b5h s HIS 102 Cb -0.12 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.24 3b5h s HIS 102 CO 0.14 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 173.82 3b5h n GLY 103 N 2.28 0.57 3.58 -2.22 0.00 -1.18 -4.90 105.19 103.32 3b5h n GLY 103 Ca 0.20 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 3b5h n GLY 103 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b5h s PRO 104 N -2.11 -0.22 0.68 1.61 0.02 -1.26 -4.42 135.00 129.30 3b5h s PRO 104 Ca 0.00 0.80 -0.10 0.00 0.02 0.00 0.00 61.00 61.72 3b5h s PRO 104 Cb 0.00 -1.64 0.01 0.00 0.02 0.00 0.00 34.50 32.89 3b5h s PRO 104 CO 0.00 -3.24 1.05 -1.25 -0.33 0.00 0.00 177.00 173.23 3b5h s PRO 105 N -4.66 2.90 -0.16 5.54 0.04 -1.26 -4.72 135.00 132.68 3b5h s PRO 105 Ca 0.67 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 3b5h s PRO 105 Cb -0.22 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3b5h s PRO 105 CO 0.61 -0.94 0.04 1.03 0.04 0.00 0.00 177.00 177.78 3b5h s ARG 106 N -5.27 0.51 -0.02 4.56 0.52 -1.26 -4.56 118.95 113.42 3b5h s ARG 106 Ca 0.57 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.61 3b5h s ARG 106 Cb -0.11 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.57 3b5h s ARG 106 CO 0.50 -0.56 -0.17 0.08 0.02 0.00 0.00 175.30 175.17 3b5h s VAL 107 N 1.95 2.87 0.05 3.52 1.01 -1.26 -0.69 120.40 127.84 3b5h s VAL 107 Ca 0.01 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3b5h s VAL 107 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3b5h s VAL 107 CO -0.07 0.52 -0.07 -0.54 0.00 0.00 0.00 175.10 174.94 3b5h s LYS 108 N -0.90 0.56 0.26 2.72 1.02 -0.57 -4.50 119.74 118.33 3b5h s LYS 108 Ca 0.12 -0.86 -0.28 0.00 0.02 0.00 0.00 55.97 54.97 3b5h s LYS 108 Cb -0.10 -0.22 -0.09 0.00 -0.52 0.00 0.00 37.83 36.90 3b5h s LYS 108 CO 0.02 0.02 0.93 0.00 -0.92 0.00 0.00 175.35 175.40 3b5h s ALA 109 N -1.87 3.30 -0.01 5.17 0.00 -1.26 -1.21 121.76 125.88 3b5h s ALA 109 Ca -0.06 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 3b5h s ALA 109 Cb -0.07 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 3b5h s ALA 109 CO -0.01 0.21 0.92 0.28 0.00 0.00 0.00 175.76 177.15 3b5h h VAL 110 N 2.96 0.05 -3.72 0.00 2.07 -1.71 -3.40 116.25 112.50 3b5h h VAL 110 Ca -0.46 -0.45 -0.66 0.00 0.82 0.00 0.00 66.70 65.95 3b5h h VAL 110 Cb 1.20 0.08 -0.39 0.00 -1.52 0.00 0.00 31.29 30.65 3b5h h VAL 110 CO 0.67 0.01 -0.73 -0.54 0.02 0.00 0.00 177.57 176.99 3b5h s LYS 111 N -4.12 1.67 0.55 1.57 1.02 -1.26 -5.00 119.74 114.18 3b5h s LYS 111 Ca -0.12 -1.76 0.33 0.00 0.02 0.00 0.00 55.97 54.44 3b5h s LYS 111 Cb 0.01 -3.15 1.52 0.00 -0.52 0.00 0.00 37.83 35.69 3b5h s LYS 111 CO 0.36 -0.86 2.06 0.66 -0.92 0.00 0.00 175.35 176.65 3b5h h SER 112 N 7.66 0.00 -3.89 2.83 4.64 -1.86 -3.41 113.55 119.52 3b5h h SER 112 Ca -0.08 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.64 3b5h h SER 112 Cb 1.03 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.80 3b5h h SER 112 CO 0.51 0.07 -0.85 -0.94 -0.87 0.00 0.00 176.83 174.75 3b5h s SER 113 N -5.79 2.45 -0.08 4.97 1.04 -1.26 -1.78 113.70 113.24 3b5h s SER 113 Ca -0.01 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 3b5h s SER 113 Cb 0.11 -0.72 0.03 0.00 0.10 0.00 0.00 66.02 65.54 3b5h s SER 113 CO 0.54 0.18 0.32 -0.70 0.98 0.00 0.00 173.24 174.55 3b5h s GLU 114 N 0.02 0.48 0.20 4.02 2.56 -0.72 -4.99 118.70 120.27 3b5h s GLU 114 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.13 3b5h s GLU 114 Cb -0.13 0.22 0.00 0.00 2.00 0.00 0.00 34.13 36.23 3b5h s GLU 114 CO 0.03 -0.09 0.00 -2.39 -0.56 0.00 0.00 175.26 172.25 3b5h n HIS 115 N 2.31 -2.07 0.00 5.30 -0.00 -1.26 -1.17 115.22 118.33 3b5h n HIS 115 Ca -0.16 0.44 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 3b5h n HIS 115 Cb 0.57 1.03 0.00 0.00 -0.00 0.00 0.00 29.99 31.59 3b5h n HIS 115 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3b5h n ILE 116 N -3.09 0.00 -3.17 0.61 2.08 -1.26 -4.68 119.36 109.85 3b5h n ILE 116 Ca 0.00 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 3b5h n ILE 116 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3b5h n ILE 116 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3b5h s ASN 117 N -2.13 5.47 -0.08 4.38 0.01 -1.26 -5.13 114.94 116.20 3b5h s ASN 117 Ca 0.00 -0.53 -0.03 0.00 -0.71 0.00 0.00 52.86 51.59 3b5h s ASN 117 Cb 0.00 -0.60 0.04 0.00 0.41 0.00 0.00 41.25 41.10 3b5h s ASN 117 CO 0.00 -0.75 0.16 -0.70 -1.51 0.00 0.00 177.10 174.30 3b5h s GLU 118 N -4.30 0.09 -1.37 -0.60 2.56 -1.26 -4.87 118.70 108.95 3b5h s GLU 118 Ca 0.53 0.45 -0.02 0.00 0.00 0.00 0.00 54.97 55.93 3b5h s GLU 118 Cb -0.08 -0.19 0.00 0.00 2.00 0.00 0.00 34.13 35.86 3b5h s GLU 118 CO 0.32 -0.20 0.29 0.41 -0.56 0.00 0.00 175.26 175.51 3b5h n GLY 119 N 4.53 -0.32 0.00 -1.50 0.00 -1.10 -4.94 105.19 101.86 3b5h n GLY 119 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3b5h n GLY 119 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3b5h n GLU 120 N -3.12 1.06 -3.10 1.61 1.02 -1.26 -4.46 120.64 112.39 3b5h n GLU 120 Ca -0.14 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.55 3b5h n GLU 120 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.00 3b5h n GLU 120 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3b5h s THR 121 N -0.53 4.85 -0.16 2.62 2.01 -1.26 -2.99 115.64 120.17 3b5h s THR 121 Ca 0.00 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.60 3b5h s THR 121 Cb 0.00 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 3b5h s THR 121 CO 0.00 -1.16 1.26 0.00 -0.69 0.00 0.00 174.62 174.03 3b5h s ALA 122 N 2.58 3.66 -0.61 7.40 0.00 -0.42 -4.90 121.76 129.47 3b5h s ALA 122 Ca 0.14 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 3b5h s ALA 122 Cb -0.22 -3.62 0.16 0.00 0.00 0.00 0.00 23.12 19.44 3b5h s ALA 122 CO 0.04 -1.17 0.53 1.41 0.00 0.00 0.00 175.76 176.58 3b5h s MET 123 N 3.48 3.00 0.15 0.00 1.75 -1.26 -1.45 119.30 124.97 3b5h s MET 123 Ca 0.55 -2.01 -0.12 0.00 -1.25 0.00 0.00 55.69 52.86 3b5h s MET 123 Cb -0.22 -4.20 -0.07 0.00 2.84 0.00 0.00 34.83 33.19 3b5h s MET 123 CO 0.15 -1.27 0.51 -0.51 -0.65 0.00 0.00 175.02 173.25 3b5h s LEU 124 N 0.98 4.30 -0.16 4.11 1.43 0.82 -4.95 118.68 125.22 3b5h s LEU 124 Ca 0.09 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 3b5h s LEU 124 Cb -0.23 -3.30 0.05 0.00 0.03 0.00 0.00 46.19 42.74 3b5h s LEU 124 CO -0.02 0.08 0.41 0.54 0.23 0.00 0.00 176.35 177.59 3b5h s VAL 125 N -1.54 -0.02 0.28 -1.59 0.11 -1.26 0.30 120.40 116.68 3b5h s VAL 125 Ca 0.39 0.06 0.11 0.00 -2.93 0.00 0.00 61.98 59.61 3b5h s VAL 125 Cb -0.14 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 3b5h s VAL 125 CO 0.19 0.02 -0.10 0.00 -3.33 0.00 0.00 175.10 171.89 3b5h s LYS 127 N -3.60 0.76 -0.12 0.00 -2.85 -0.35 -1.17 119.74 112.41 3b5h s LYS 127 Ca 0.31 -0.95 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 3b5h s LYS 127 Cb -0.05 -0.66 -0.00 0.00 -2.06 0.00 0.00 37.83 35.05 3b5h s LYS 127 CO 0.18 0.14 -0.20 0.45 0.10 0.00 0.00 175.35 176.01 3b5h s SER 128 N -1.82 3.33 -0.43 0.03 0.15 -0.04 -1.51 113.70 113.40 3b5h s SER 128 Ca -0.03 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.15 3b5h s SER 128 Cb -0.09 -1.47 0.44 0.00 -1.71 0.00 0.00 66.02 63.18 3b5h s SER 128 CO 0.02 0.13 1.35 -1.84 1.20 0.00 0.00 173.24 174.09 3b5h n GLU 129 N 3.74 3.37 -4.44 5.44 0.28 0.13 -4.84 120.64 124.32 3b5h n GLU 129 Ca -0.19 -4.11 -0.26 0.00 -0.16 0.00 0.00 57.16 52.45 3b5h n GLU 129 Cb 0.52 -2.27 -0.11 0.00 1.43 0.00 0.00 31.44 31.01 3b5h n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3b5h s SER 130 N -3.14 3.51 -0.07 -1.84 1.04 -1.26 -4.70 113.70 107.25 3b5h s SER 130 Ca 0.52 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3b5h s SER 130 Cb 0.42 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.30 3b5h s SER 130 CO -0.08 0.09 0.06 0.54 0.98 0.00 0.00 173.24 174.83 3b5h s VAL 131 N -2.03 -0.05 0.92 5.02 0.11 -1.26 -3.85 120.40 119.26 3b5h s VAL 131 Ca 0.25 0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.47 3b5h s VAL 131 Cb -0.07 -0.28 0.14 0.00 -1.53 0.00 0.00 36.38 34.65 3b5h s VAL 131 CO 0.12 0.10 1.09 -2.16 -3.33 0.00 0.00 175.10 170.93 3b5h s PRO 132 N 2.14 1.09 0.75 1.54 0.04 -1.26 -3.50 135.00 135.79 3b5h s PRO 132 Ca 0.04 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3b5h s PRO 132 Cb -0.13 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.66 3b5h s PRO 132 CO -0.04 -2.40 1.03 -2.30 0.04 0.00 0.00 177.00 173.33 3b5h n PRO 133 N -4.01 0.43 -2.27 0.56 -0.02 -1.25 -4.86 135.00 123.58 3b5h n PRO 133 Ca 0.07 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 3b5h n PRO 133 Cb 0.54 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3b5h n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b5h s VAL 134 N -1.90 4.02 -1.77 -1.45 1.01 -1.26 -4.41 120.40 114.64 3b5h s VAL 134 Ca 0.73 1.22 0.14 0.00 0.00 0.00 0.00 61.98 64.08 3b5h s VAL 134 Cb -0.33 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.35 3b5h s VAL 134 CO 0.50 -0.13 0.95 0.35 0.00 0.00 0.00 175.10 176.77 3b5h n THR 135 N 5.48 0.00 -3.65 3.92 -2.24 -0.55 -4.90 114.28 112.34 3b5h n THR 135 Ca 0.15 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3b5h n THR 135 Cb 0.44 1.29 -0.12 0.00 -2.10 0.00 0.00 70.33 69.84 3b5h n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3b5h s ASP 136 N -1.22 0.19 -0.02 3.42 -1.08 -1.16 -5.02 116.67 111.76 3b5h s ASP 136 Ca 0.16 0.69 0.04 0.00 -0.52 0.00 0.00 52.55 52.93 3b5h s ASP 136 Cb 0.12 0.90 -0.03 0.00 -1.46 0.00 0.00 42.92 42.45 3b5h s ASP 136 CO 0.19 -0.24 -0.14 0.26 0.52 0.00 0.00 175.17 175.76 3b5h s TRP 137 N 2.48 2.70 -0.10 -5.34 0.52 -1.26 -1.33 118.94 116.60 3b5h s TRP 137 Ca 0.01 -0.16 -0.07 0.00 0.02 0.00 0.00 56.10 55.90 3b5h s TRP 137 Cb -0.12 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.64 3b5h s TRP 137 CO -0.10 0.23 0.26 0.00 0.02 0.00 0.00 176.95 177.36 3b5h s ALA 138 N -0.81 -0.62 0.06 0.98 0.00 -0.21 -4.99 121.76 116.18 3b5h s ALA 138 Ca 0.13 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3b5h s ALA 138 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3b5h s ALA 138 CO 0.03 -0.16 0.12 -1.58 0.00 0.00 0.00 175.76 174.16 3b5h s TRP 139 N 0.73 3.30 0.02 0.00 0.52 -1.26 -0.43 118.94 121.81 3b5h s TRP 139 Ca -0.05 0.14 -0.00 0.00 0.02 0.00 0.00 56.10 56.21 3b5h s TRP 139 Cb -0.06 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 3b5h s TRP 139 CO -0.05 0.55 -0.02 0.71 0.02 0.00 0.00 176.95 178.16 3b5h s TYR 140 N -1.40 0.21 -0.02 -1.98 1.51 0.11 -2.06 117.35 113.72 3b5h s TYR 140 Ca 0.30 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.80 3b5h s TYR 140 Cb -0.12 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.52 3b5h s TYR 140 CO 0.23 -0.16 0.36 0.21 -1.11 0.00 0.00 175.55 175.09 3b5h s LYS 141 N -1.19 3.84 -0.08 -0.62 2.36 0.31 -0.29 119.74 124.08 3b5h s LYS 141 Ca -0.13 0.32 0.01 0.00 -2.55 0.00 0.00 55.97 53.62 3b5h s LYS 141 Cb -0.08 -3.22 -0.03 0.00 -1.05 0.00 0.00 37.83 33.45 3b5h s LYS 141 CO -0.01 0.70 -0.10 0.96 1.55 0.00 0.00 175.35 178.45 3b5h s ILE 142 N -1.05 3.39 0.07 5.43 -4.36 -1.05 -1.05 121.20 122.57 3b5h s ILE 142 Ca 0.22 -0.58 -0.11 0.00 -0.26 0.00 0.00 60.65 59.92 3b5h s ILE 142 Cb -0.16 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.18 3b5h s ILE 142 CO 0.12 0.57 0.25 -0.89 0.24 0.00 0.00 174.94 175.23 3b5h s THR 143 N -0.48 0.11 0.00 8.37 2.01 -1.17 -4.65 115.64 119.83 3b5h s THR 143 Ca 0.07 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 3b5h s THR 143 Cb -0.12 -1.09 -0.12 0.00 0.01 0.00 0.00 72.50 71.18 3b5h s THR 143 CO 0.02 -0.49 2.66 -0.67 -0.69 0.00 0.00 174.62 175.45 3b5h n ASP 144 N 0.31 5.11 0.04 3.53 2.03 -1.26 -3.27 116.55 123.04 3b5h n ASP 144 Ca -0.17 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.74 3b5h n ASP 144 Cb 0.61 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 3b5h n ASP 144 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3b5h n SER 145 N 1.98 0.59 -2.16 1.67 7.64 -1.26 -5.14 113.62 116.94 3b5h n SER 145 Ca 0.19 0.13 -0.07 0.00 1.01 0.00 0.00 58.87 60.12 3b5h n SER 145 Cb 0.67 -0.14 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3b5h n SER 145 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3b5h n GLU 146 N -3.14 0.57 -3.90 1.43 1.02 -1.20 -5.14 120.64 110.26 3b5h n GLU 146 Ca 0.00 -1.55 -0.35 0.00 -0.02 0.00 0.00 57.16 55.24 3b5h n GLU 146 Cb 0.00 1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 32.97 3b5h n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3b5h s ASP 147 N -2.31 4.42 -0.07 1.62 1.11 -1.26 -3.03 116.67 117.15 3b5h s ASP 147 Ca 0.14 -0.62 -0.30 0.00 0.18 0.00 0.00 52.55 51.95 3b5h s ASP 147 Cb -0.02 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.22 3b5h s ASP 147 CO 0.10 -0.09 1.10 -0.75 1.18 0.00 0.00 175.17 176.71 3b5h s LYS 148 N 1.42 4.40 -0.35 8.23 2.20 -0.22 -4.84 119.74 130.58 3b5h s LYS 148 Ca 0.03 1.53 -0.25 0.00 -0.36 0.00 0.00 55.97 56.93 3b5h s LYS 148 Cb -0.16 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3b5h s LYS 148 CO -0.03 -0.36 0.86 0.00 -0.36 0.00 0.00 175.35 175.45 3b5h s ALA 149 N 2.04 3.45 -1.09 3.13 0.00 -1.26 -0.53 121.76 127.50 3b5h s ALA 149 Ca 0.52 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 3b5h s ALA 149 Cb -0.22 -3.43 0.17 0.00 0.00 0.00 0.00 23.12 19.64 3b5h s ALA 149 CO 0.20 -1.46 1.27 -0.51 0.00 0.00 0.00 175.76 175.26 3b5h s LEU 150 N 3.24 5.28 0.26 0.00 1.43 -0.87 -5.00 118.68 123.02 3b5h s LEU 150 Ca 0.35 -2.75 -0.27 0.00 -1.03 0.00 0.00 54.13 50.43 3b5h s LEU 150 Cb -0.13 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 3b5h s LEU 150 CO 0.16 -0.78 0.89 -0.04 0.23 0.00 0.00 176.35 176.81 3b5h s MET 151 N 1.54 4.65 -0.40 1.70 -1.94 -1.26 -4.50 119.30 119.09 3b5h s MET 151 Ca 0.37 1.32 -0.42 0.00 -1.71 0.00 0.00 55.69 55.24 3b5h s MET 151 Cb -0.05 -3.06 -0.17 0.00 2.01 0.00 0.00 34.83 33.57 3b5h s MET 151 CO -0.04 0.43 1.84 -1.71 -0.01 0.00 0.00 175.02 175.53 3b5h n ASN 152 N 1.08 1.69 0.00 3.03 4.05 -1.26 -0.51 115.26 123.34 3b5h n ASN 152 Ca -0.01 0.94 0.00 0.00 0.45 0.00 0.00 54.58 55.96 3b5h n ASN 152 Cb 0.49 -1.03 0.00 0.00 1.23 0.00 0.00 39.78 40.46 3b5h n ASN 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3b5h n GLY 153 N 5.11 0.66 3.75 8.20 0.00 0.35 -4.96 105.19 118.30 3b5h n GLY 153 Ca 0.35 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3b5h n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b5h s SER 154 N -2.35 7.01 -0.78 1.61 0.15 0.33 -2.79 113.70 116.89 3b5h s SER 154 Ca 0.00 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.04 3b5h s SER 154 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3b5h s SER 154 CO 0.00 -0.39 0.00 -0.62 1.20 0.00 0.00 173.24 173.43 3b5h n GLU 155 N 1.79 -1.68 -1.64 5.44 1.02 -1.26 -1.45 120.64 122.86 3b5h n GLU 155 Ca 0.02 0.62 -0.19 0.00 -0.02 0.00 0.00 57.16 57.59 3b5h n GLU 155 Cb 0.44 -4.73 -0.08 0.00 -0.02 0.00 0.00 31.44 27.05 3b5h n GLU 155 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3b5h n SER 156 N -0.30 -5.36 0.00 1.62 7.64 -1.12 -4.82 113.62 111.28 3b5h n SER 156 Ca -0.07 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.24 3b5h n SER 156 Cb 0.43 -4.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 3b5h n SER 156 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3b5h n ARG 157 N -2.48 0.00 -4.19 1.43 1.85 -0.53 -5.03 116.66 107.72 3b5h n ARG 157 Ca -0.20 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.31 3b5h n ARG 157 Cb 0.64 -0.17 -0.10 0.00 -1.05 0.00 0.00 32.46 31.78 3b5h n ARG 157 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3b5h s PHE 158 N 0.00 3.17 0.01 2.89 0.40 -0.70 -1.35 117.98 122.40 3b5h s PHE 158 Ca 0.00 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 3b5h s PHE 158 Cb 0.00 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 3b5h s PHE 158 CO 0.00 0.13 -0.04 -0.06 0.70 0.00 0.00 175.22 175.95 3b5h s PHE 159 N 0.20 0.37 0.00 0.36 0.40 -0.04 0.13 117.98 119.41 3b5h s PHE 159 Ca 0.02 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3b5h s PHE 159 Cb -0.13 -0.23 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 3b5h s PHE 159 CO 0.01 -0.05 -0.04 0.54 0.70 0.00 0.00 175.22 176.38 3b5h s VAL 160 N -0.58 0.31 -0.15 -0.44 0.11 -1.26 0.10 120.40 118.49 3b5h s VAL 160 Ca -0.04 -0.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 3b5h s VAL 160 Cb -0.05 -0.28 0.07 0.00 -1.53 0.00 0.00 36.38 34.59 3b5h s VAL 160 CO -0.00 0.04 0.33 -0.55 -3.33 0.00 0.00 175.10 171.59 3b5h s SER 161 N -0.21 -0.10 -0.05 3.54 0.15 -0.85 -4.87 113.70 111.31 3b5h s SER 161 Ca 0.00 0.74 0.04 0.00 0.70 0.00 0.00 55.95 57.44 3b5h s SER 161 Cb -0.02 0.82 -0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3b5h s SER 161 CO -0.00 -0.21 -0.17 -0.44 1.20 0.00 0.00 173.24 173.61 3b5h s SER 162 N 2.03 2.21 -0.23 5.45 0.01 -1.26 -1.65 113.70 120.27 3b5h s SER 162 Ca -0.04 -0.37 -0.33 0.00 1.31 0.00 0.00 55.95 56.52 3b5h s SER 162 Cb -0.11 -0.70 0.16 0.00 0.21 0.00 0.00 66.02 65.58 3b5h s SER 162 CO -0.10 0.14 1.25 -0.94 0.41 0.00 0.00 173.24 174.00 3b5h s SER 163 N 0.14 -0.12 -1.43 2.44 1.04 0.53 -4.99 113.70 111.31 3b5h s SER 163 Ca -0.06 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 3b5h s SER 163 Cb -0.13 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.15 3b5h s SER 163 CO 0.03 -0.16 0.84 0.00 0.98 0.00 0.00 173.24 174.93 3b5h n GLN 164 N 0.19 -5.21 -2.53 4.02 6.02 -1.26 -2.33 117.38 116.29 3b5h n GLN 164 Ca -0.00 0.60 -0.13 0.00 -0.01 0.00 0.00 57.00 57.46 3b5h n GLN 164 Cb 0.58 -5.32 0.01 0.00 1.02 0.00 0.00 30.24 26.53 3b5h n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b5h n GLY 165 N -1.66 -0.06 3.39 1.08 0.00 -1.26 -4.96 105.19 101.72 3b5h n GLY 165 Ca -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 3b5h n GLY 165 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b5h s ARG 166 N -4.98 0.66 -0.01 1.61 3.52 -0.98 -0.86 118.95 117.90 3b5h s ARG 166 Ca 0.11 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 3b5h s ARG 166 Cb -0.05 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.65 3b5h s ARG 166 CO 0.14 -0.12 -0.05 0.45 -0.81 0.00 0.00 175.30 174.90 3b5h s SER 167 N -0.16 0.68 -0.13 -2.12 0.15 -0.32 -0.34 113.70 111.46 3b5h s SER 167 Ca -0.03 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.54 3b5h s SER 167 Cb -0.03 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3b5h s SER 167 CO 0.02 0.05 -0.21 -1.61 1.20 0.00 0.00 173.24 172.70 3b5h s GLU 168 N 0.02 3.09 -0.24 5.44 2.02 -0.66 -0.38 118.70 127.99 3b5h s GLU 168 Ca 0.00 -0.83 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 3b5h s GLU 168 Cb -0.04 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 3b5h s GLU 168 CO -0.00 0.06 0.14 -1.17 0.02 0.00 0.00 175.26 174.30 3b5h s LEU 169 N 0.66 3.93 -0.21 1.80 2.96 0.15 -2.00 118.68 125.97 3b5h s LEU 169 Ca -0.10 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3b5h s LEU 169 Cb -0.16 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 3b5h s LEU 169 CO 0.02 0.04 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.05 3b5h s HIS 170 N 1.21 2.97 -0.19 5.38 3.76 0.12 -0.12 115.29 128.42 3b5h s HIS 170 Ca 0.06 -0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 54.15 3b5h s HIS 170 Cb -0.14 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3b5h s HIS 170 CO 0.05 -0.44 -0.00 0.42 -0.85 0.00 0.00 174.74 173.92 3b5h s ILE 171 N 1.29 4.01 0.09 0.60 1.01 -0.53 -0.86 121.20 126.82 3b5h s ILE 171 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3b5h s ILE 171 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3b5h s ILE 171 CO -0.01 0.45 0.19 -1.61 0.00 0.00 0.00 174.94 173.95 3b5h s GLU 172 N 0.79 3.27 -0.88 2.79 2.02 -0.45 -1.30 118.70 124.94 3b5h s GLU 172 Ca 0.00 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 3b5h s GLU 172 Cb -0.14 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 3b5h s GLU 172 CO 0.02 0.58 0.75 0.09 0.02 0.00 0.00 175.26 176.71 3b5h n ASN 173 N 0.16 -6.73 -4.67 -0.19 3.02 -1.21 -4.87 115.26 100.78 3b5h n ASN 173 Ca -0.06 -0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 53.57 3b5h n ASN 173 Cb 0.52 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.23 3b5h n ASN 173 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3b5h n LEU 174 N -2.59 4.09 -4.41 3.41 4.77 -1.16 -4.88 117.00 116.23 3b5h n LEU 174 Ca -0.08 0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 56.54 3b5h n LEU 174 Cb 0.57 -1.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.01 3b5h n LEU 174 CO 0.58 0.18 -0.55 0.54 -1.33 0.00 0.00 177.39 176.81 3b5h s ASN 175 N 3.96 3.44 0.00 -1.43 4.22 -1.26 -2.70 114.94 121.18 3b5h s ASN 175 Ca 0.87 -0.66 0.13 0.00 -2.14 0.00 0.00 52.86 51.05 3b5h s ASN 175 Cb -0.46 -0.32 0.55 0.00 1.28 0.00 0.00 41.25 42.29 3b5h s ASN 175 CO 0.41 0.20 1.38 0.23 -2.04 0.00 0.00 177.10 177.29 3b5h n MET 176 N 1.06 1.37 -4.51 3.55 2.81 -1.26 -3.98 117.12 116.16 3b5h n MET 176 Ca -0.17 -0.57 -0.33 0.00 -1.81 0.00 0.00 57.70 54.82 3b5h n MET 176 Cb 0.53 -1.24 -0.14 0.00 -0.71 0.00 0.00 33.22 31.66 3b5h n MET 176 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3b5h s GLU 177 N -1.84 3.41 0.00 0.03 2.02 -1.26 -4.61 118.70 116.45 3b5h s GLU 177 Ca 0.21 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3b5h s GLU 177 Cb 0.11 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3b5h s GLU 177 CO 0.16 0.12 0.00 0.00 0.02 0.00 0.00 175.26 175.56 3b5h n ALA 178 N 3.83 0.00 -0.07 5.21 0.00 -1.26 -4.62 120.51 123.60 3b5h n ALA 178 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3b5h n ALA 178 Cb 0.52 -0.56 -0.14 0.00 0.00 0.00 0.00 19.45 19.28 3b5h n ALA 178 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3b5h n ASP 179 N 0.00 1.31 -4.62 0.00 4.64 -1.26 -4.85 116.55 111.77 3b5h n ASP 179 Ca 0.00 0.08 -0.41 0.00 -1.38 0.00 0.00 54.79 53.08 3b5h n ASP 179 Cb 0.00 -0.09 -0.06 0.00 -1.04 0.00 0.00 41.12 39.93 3b5h n ASP 179 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3b5h s PRO 180 N -2.54 4.04 0.00 -0.67 0.04 -1.26 -4.90 135.00 129.72 3b5h s PRO 180 Ca -0.20 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3b5h s PRO 180 Cb 0.07 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3b5h s PRO 180 CO 0.74 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.70 3b5h n GLY 181 N 4.22 2.29 2.83 0.56 0.00 -1.19 -5.01 105.19 108.89 3b5h n GLY 181 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3b5h n GLY 181 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3b5h s GLN 182 N 3.47 -0.01 0.14 1.61 -2.07 -1.26 -1.23 119.66 120.30 3b5h s GLN 182 Ca 0.00 0.08 0.09 0.00 -1.82 0.00 0.00 55.36 53.71 3b5h s GLN 182 Cb 0.00 -0.10 -0.04 0.00 -1.09 0.00 0.00 33.01 31.78 3b5h s GLN 182 CO 0.00 -0.07 -0.18 0.71 -1.32 0.00 0.00 175.29 174.43 3b5h s TYR 183 N 0.43 2.51 -0.06 9.60 1.51 0.22 -2.54 117.35 129.02 3b5h s TYR 183 Ca -0.04 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3b5h s TYR 183 Cb -0.05 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3b5h s TYR 183 CO -0.01 0.42 -0.12 0.50 -1.11 0.00 0.00 175.55 175.23 3b5h s ARG 184 N -2.32 1.54 -0.11 -0.62 3.52 0.60 -1.08 118.95 120.48 3b5h s ARG 184 Ca 0.19 -0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 3b5h s ARG 184 Cb -0.10 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.95 3b5h s ARG 184 CO 0.11 0.05 -0.04 0.00 -0.81 0.00 0.00 175.30 174.61 3b5h s ASN 186 N -0.33 3.09 -0.11 0.00 3.84 0.43 -2.37 114.94 119.49 3b5h s ASN 186 Ca 0.05 -0.76 -0.05 0.00 0.21 0.00 0.00 52.86 52.32 3b5h s ASN 186 Cb -0.12 -1.06 -0.04 0.00 -0.55 0.00 0.00 41.25 39.48 3b5h s ASN 186 CO 0.02 -0.17 0.07 -0.83 -2.79 0.00 0.00 177.10 173.40 3b5h s GLY 187 N 1.52 1.99 -0.06 1.21 0.00 -0.81 -1.04 107.32 110.13 3b5h s GLY 187 Ca -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.00 3b5h s GLY 187 CO -0.08 -0.44 -0.08 -1.59 0.00 0.00 0.00 173.10 170.91 3b5h s THR 188 N -0.86 0.81 0.46 0.90 2.01 -0.44 -1.76 115.64 116.76 3b5h s THR 188 Ca 0.13 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3b5h s THR 188 Cb -0.12 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.63 3b5h s THR 188 CO 0.03 0.29 0.26 -1.54 -0.69 0.00 0.00 174.62 172.97 3b5h n SER 189 N 4.07 2.69 -0.18 3.53 3.41 -0.50 -1.47 113.62 125.16 3b5h n SER 189 Ca -0.22 -2.69 0.01 0.00 -0.26 0.00 0.00 58.87 55.70 3b5h n SER 189 Cb 0.51 0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.55 3b5h n SER 189 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b5h n SER 190 N -1.70 0.48 0.00 4.04 3.41 -1.26 -3.32 113.62 115.27 3b5h n SER 190 Ca -0.06 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 3b5h n SER 190 Cb 0.54 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3b5h n SER 190 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3b5h n LYS 191 N -0.26 0.25 -1.70 4.33 3.00 -1.26 -5.12 118.16 117.39 3b5h n LYS 191 Ca 0.02 -0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 3b5h n LYS 191 Cb 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.36 3b5h n LYS 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b5h n GLY 192 N 0.12 0.29 3.26 3.14 0.00 -1.21 -4.38 105.19 106.41 3b5h n GLY 192 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3b5h n GLY 192 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b5h s SER 193 N -4.00 -0.06 0.07 1.61 1.04 -1.26 -1.41 113.70 109.69 3b5h s SER 193 Ca 0.00 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 3b5h s SER 193 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3b5h s SER 193 CO 0.00 -0.77 0.16 -0.62 0.98 0.00 0.00 173.24 172.99 3b5h s ASP 194 N -2.73 0.15 0.02 7.02 3.68 -0.73 -4.74 116.67 119.34 3b5h s ASP 194 Ca 0.03 -0.63 -0.01 0.00 2.13 0.00 0.00 52.55 54.07 3b5h s ASP 194 Cb 0.03 0.30 -0.02 0.00 -1.45 0.00 0.00 42.92 41.79 3b5h s ASP 194 CO -0.10 -0.66 -0.01 0.00 0.13 0.00 0.00 175.17 174.52 3b5h s GLN 195 N -3.53 0.30 0.13 4.34 -2.07 -1.26 -1.93 119.66 115.65 3b5h s GLN 195 Ca 0.03 -0.54 0.08 0.00 -1.82 0.00 0.00 55.36 53.10 3b5h s GLN 195 Cb 0.04 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 3b5h s GLN 195 CO -0.09 -0.05 -0.18 0.00 -1.32 0.00 0.00 175.29 173.65 3b5h s ALA 196 N -1.34 1.80 -0.15 2.60 0.00 -1.00 -4.84 121.76 118.83 3b5h s ALA 196 Ca -0.15 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 3b5h s ALA 196 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3b5h s ALA 196 CO -0.01 0.23 -0.12 0.42 0.00 0.00 0.00 175.76 176.29 3b5h s ILE 197 N -1.80 3.03 -0.09 0.00 1.01 -1.26 -2.46 121.20 119.64 3b5h s ILE 197 Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3b5h s ILE 197 Cb -0.07 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3b5h s ILE 197 CO 0.05 0.50 -0.21 0.27 0.00 0.00 0.00 174.94 175.56 3b5h s ILE 198 N 0.66 2.41 -0.17 2.92 -4.36 -0.25 -4.77 121.20 117.64 3b5h s ILE 198 Ca -0.06 -0.92 -0.06 0.00 -0.26 0.00 0.00 60.65 59.35 3b5h s ILE 198 Cb -0.15 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 3b5h s ILE 198 CO 0.02 0.56 0.02 -0.89 0.24 0.00 0.00 174.94 174.89 3b5h s THR 199 N 0.04 4.38 -0.11 8.37 2.01 -0.73 0.71 115.64 130.31 3b5h s THR 199 Ca -0.08 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.75 3b5h s THR 199 Cb -0.15 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3b5h s THR 199 CO 0.05 0.47 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.09 3b5h s LEU 200 N 0.39 2.67 0.00 4.42 2.96 -0.37 -1.76 118.68 126.99 3b5h s LEU 200 Ca -0.00 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3b5h s LEU 200 Cb -0.13 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3b5h s LEU 200 CO 0.01 0.19 0.05 -1.14 -1.32 0.00 0.00 176.35 174.15