#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2x s ASP 4 N 0.00 3.61 -0.34 7.83 -1.08 -1.26 -5.00 116.67 120.43 3i2x s ASP 4 Ca 0.00 -1.26 0.16 0.00 -0.52 0.00 0.00 52.55 50.93 3i2x s ASP 4 Cb 0.00 -0.86 0.44 0.00 -1.46 0.00 0.00 42.92 41.04 3i2x s ASP 4 CO 0.00 -0.33 1.08 -0.90 0.52 0.00 0.00 175.17 175.54 3i2x n ASP 5 N 4.86 0.49 -3.90 -0.34 5.68 -1.26 -5.07 116.55 117.00 3i2x n ASP 5 Ca -0.07 -2.59 -0.09 0.00 -0.50 0.00 0.00 54.79 51.54 3i2x n ASP 5 Cb 0.44 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 3i2x n ASP 5 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3i2x s ASP 6 N -2.60 0.08 0.30 -1.12 1.01 -1.26 -3.49 116.67 109.58 3i2x s ASP 6 Ca 0.25 -0.75 -0.29 0.00 0.71 0.00 0.00 52.55 52.47 3i2x s ASP 6 Cb 0.44 0.39 -0.10 0.00 1.01 0.00 0.00 42.92 44.65 3i2x s ASP 6 CO -0.00 -0.81 1.32 -0.76 0.21 0.00 0.00 175.17 175.13 3i2x s LEU 7 N -2.91 4.42 -0.07 1.23 1.02 0.11 -4.70 118.68 117.78 3i2x s LEU 7 Ca 0.11 2.64 0.03 0.00 0.02 0.00 0.00 54.13 56.93 3i2x s LEU 7 Cb 0.04 -3.64 0.01 0.00 0.02 0.00 0.00 46.19 42.62 3i2x s LEU 7 CO -0.06 -0.55 -0.15 -0.69 0.02 0.00 0.00 176.35 174.92 3i2x s VAL 8 N -0.81 1.36 0.91 -1.59 1.01 -1.26 -0.57 120.40 119.44 3i2x s VAL 8 Ca 0.51 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3i2x s VAL 8 Cb -0.40 -1.22 0.14 0.00 0.00 0.00 0.00 36.38 34.91 3i2x s VAL 8 CO 0.49 0.40 1.17 1.51 0.00 0.00 0.00 175.10 178.68 3i2x s ASP 9 N 0.55 3.54 0.00 3.32 3.84 -0.80 -4.70 116.67 122.42 3i2x s ASP 9 Ca -0.15 0.79 0.00 0.00 -0.00 0.00 0.00 52.55 53.19 3i2x s ASP 9 Cb -0.16 -1.24 0.00 0.00 -1.38 0.00 0.00 42.92 40.14 3i2x s ASP 9 CO 0.05 -2.51 0.66 0.00 -0.00 0.00 0.00 175.17 173.37 3i2x n ALA 10 N -3.71 1.11 0.09 2.11 0.00 0.52 -0.67 120.51 119.96 3i2x n ALA 10 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 3i2x n ALA 10 Cb 0.60 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 19.19 3i2x n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i2x n GLU 11 N -1.16 -0.58 -0.40 0.00 1.02 -1.26 -4.92 120.64 113.35 3i2x n GLU 11 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 3i2x n GLU 11 Cb 0.03 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3i2x n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i2x n GLY 12 N 0.12 0.75 3.44 0.62 0.00 0.16 -5.08 105.19 105.20 3i2x n GLY 12 Ca 0.01 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3i2x n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2x s ASN 13 N -2.39 3.88 0.31 1.61 0.01 -1.26 -4.89 114.94 112.21 3i2x s ASN 13 Ca 0.00 -0.25 -0.27 0.00 -0.71 0.00 0.00 52.86 51.63 3i2x s ASN 13 Cb 0.00 -0.86 -0.14 0.00 0.41 0.00 0.00 41.25 40.67 3i2x s ASN 13 CO 0.00 0.32 0.92 0.18 -1.51 0.00 0.00 177.10 177.01 3i2x n LEU 14 N 2.45 1.41 -4.74 0.60 4.77 -1.26 -1.91 117.00 118.33 3i2x n LEU 14 Ca -0.17 1.13 -0.41 0.00 -0.03 0.00 0.00 56.01 56.53 3i2x n LEU 14 Cb 0.52 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3i2x n LEU 14 CO 0.26 -1.70 0.83 -0.69 -1.33 0.00 0.00 177.39 174.75 3i2x s VAL 15 N -1.12 3.77 -0.27 4.08 1.01 0.26 -4.78 120.40 123.36 3i2x s VAL 15 Ca 0.60 1.50 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 3i2x s VAL 15 Cb -0.70 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 31.74 3i2x s VAL 15 CO 0.59 0.24 1.09 -1.61 0.00 0.00 0.00 175.10 175.42 3i2x s GLU 16 N -0.24 4.14 -0.01 2.72 2.02 -1.26 -4.16 118.70 121.91 3i2x s GLU 16 Ca 0.51 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.44 3i2x s GLU 16 Cb -0.30 -3.71 -0.08 0.00 0.10 0.00 0.00 34.13 30.13 3i2x s GLU 16 CO 0.35 -0.81 1.97 1.21 0.02 0.00 0.00 175.26 178.00 3i2x s ASN 17 N 1.60 6.33 0.00 -0.19 2.47 0.14 -0.44 114.94 124.85 3i2x s ASN 17 Ca 0.46 2.50 0.00 0.00 0.42 0.00 0.00 52.86 56.24 3i2x s ASN 17 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3i2x s ASN 17 CO 0.13 -1.18 0.00 0.61 -3.72 0.00 0.00 177.10 172.94 3i2x n GLY 18 N 4.68 0.70 3.96 1.21 0.00 0.34 -4.88 105.19 111.20 3i2x n GLY 18 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3i2x n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2x s GLY 19 N -1.47 1.77 -0.29 -0.02 0.00 0.42 -4.63 107.32 103.09 3i2x s GLY 19 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.38 3i2x s GLY 19 CO 0.00 -0.84 0.27 -0.51 0.00 0.00 0.00 173.10 172.02 3i2x s THR 20 N -3.02 5.25 -0.05 0.90 -4.23 -1.25 -2.14 115.64 111.10 3i2x s THR 20 Ca 0.60 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 3i2x s THR 20 Cb -0.10 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.14 3i2x s THR 20 CO 0.42 0.16 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.30 3i2x s TYR 21 N 1.87 0.81 0.28 3.99 1.51 0.05 -0.65 117.35 125.22 3i2x s TYR 21 Ca 0.10 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 3i2x s TYR 21 Cb -0.16 -0.71 -0.10 0.00 -0.11 0.00 0.00 41.96 40.88 3i2x s TYR 21 CO 0.11 -0.21 1.24 0.71 -1.11 0.00 0.00 175.55 176.28 3i2x s TYR 22 N 0.97 3.28 -0.62 2.71 1.51 0.98 -3.35 117.35 122.82 3i2x s TYR 22 Ca -0.10 1.47 -0.19 0.00 -1.01 0.00 0.00 57.07 57.24 3i2x s TYR 22 Cb -0.14 -3.53 0.11 0.00 -0.11 0.00 0.00 41.96 38.29 3i2x s TYR 22 CO -0.00 -1.42 0.73 -0.51 -1.11 0.00 0.00 175.55 173.24 3i2x s LEU 23 N -1.27 5.45 0.20 -1.29 1.02 -1.26 -1.69 118.68 119.83 3i2x s LEU 23 Ca 0.49 -1.53 0.06 0.00 0.02 0.00 0.00 54.13 53.17 3i2x s LEU 23 Cb -0.36 -2.30 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 3i2x s LEU 23 CO 0.45 -1.09 0.13 -0.76 0.02 0.00 0.00 176.35 175.11 3i2x s LEU 24 N 2.55 3.71 0.51 1.79 1.43 -0.79 -3.31 118.68 124.58 3i2x s LEU 24 Ca 0.13 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3i2x s LEU 24 Cb -0.23 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 3i2x s LEU 24 CO 0.05 0.04 0.91 -2.16 0.23 0.00 0.00 176.35 175.41 3i2x s PRO 25 N -3.33 3.73 0.00 1.29 0.04 -1.26 -1.04 135.00 134.44 3i2x s PRO 25 Ca 0.31 0.64 0.28 0.00 0.04 0.00 0.00 61.00 62.26 3i2x s PRO 25 Cb -0.09 -2.23 1.18 0.00 0.04 0.00 0.00 34.50 33.40 3i2x s PRO 25 CO 0.23 -0.29 1.81 1.58 0.04 0.00 0.00 177.00 180.38 3i2x n HIS 26 N -1.97 0.02 -4.38 0.56 -0.00 -1.21 -4.80 115.22 103.45 3i2x n HIS 26 Ca 0.04 -0.01 -0.19 0.00 0.46 0.00 0.00 57.72 58.02 3i2x n HIS 26 Cb 0.54 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.31 3i2x n HIS 26 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 3i2x s ILE 27 N -1.98 1.00 0.00 3.57 -4.36 -1.26 -5.15 121.20 113.03 3i2x s ILE 27 Ca 0.39 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3i2x s ILE 27 Cb 0.21 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 41.29 3i2x s ILE 27 CO 0.33 -0.10 0.00 0.79 0.24 0.00 0.00 174.94 176.20 3i2x n TRP 28 N -0.55 0.00 0.05 1.37 5.03 -1.26 -4.68 117.44 117.40 3i2x n TRP 28 Ca -0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.50 3i2x n TRP 28 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.94 3i2x n TRP 28 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3i2x n ALA 29 N -3.00 1.60 -2.50 6.99 0.00 -1.26 -3.87 120.51 118.47 3i2x n ALA 29 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3i2x n ALA 29 Cb 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3i2x n ALA 29 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i2x n HIS 30 N 1.15 2.35 0.00 0.00 8.25 -1.26 -5.06 115.22 120.64 3i2x n HIS 30 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 3i2x n HIS 30 Cb 0.04 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3i2x n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i2x n GLY 31 N -0.41 2.28 0.00 -1.41 0.00 -1.25 -5.04 105.19 99.36 3i2x n GLY 31 Ca 0.27 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3i2x n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2x n GLY 32 N 1.26 3.56 0.95 -0.02 0.00 -0.73 -4.61 105.19 105.60 3i2x n GLY 32 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 3i2x n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2x n GLY 33 N 5.00 -2.45 3.71 -0.02 0.00 -0.79 -4.34 105.19 106.30 3i2x n GLY 33 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 3i2x n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2x s ILE 34 N -1.55 5.35 0.00 -0.61 -1.09 -1.21 -0.25 121.20 121.84 3i2x s ILE 34 Ca 0.19 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 3i2x s ILE 34 Cb -0.02 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 3i2x s ILE 34 CO 0.15 0.42 0.00 -0.62 -1.23 0.00 0.00 174.94 173.66 3i2x n GLU 35 N 3.67 2.70 -4.69 2.79 1.02 -0.15 0.29 120.64 126.27 3i2x n GLU 35 Ca -0.16 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 3i2x n GLU 35 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 3i2x n GLU 35 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i2x s THR 36 N 1.06 1.04 -0.29 2.62 -4.23 -1.26 -2.28 115.64 112.30 3i2x s THR 36 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 3i2x s THR 36 Cb 0.00 -2.25 0.14 0.00 1.34 0.00 0.00 72.50 71.74 3i2x s THR 36 CO 0.00 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.20 3i2x s ALA 37 N -2.96 -2.10 -0.50 3.99 0.00 0.12 -4.66 121.76 115.64 3i2x s ALA 37 Ca 0.12 1.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.76 3i2x s ALA 37 Cb 0.02 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.60 3i2x s ALA 37 CO 0.07 -0.23 0.74 0.21 0.00 0.00 0.00 175.76 176.55 3i2x s LYS 38 N 0.40 3.25 0.18 0.00 2.20 -1.26 -2.12 119.74 122.39 3i2x s LYS 38 Ca 0.02 -0.50 0.10 0.00 -0.36 0.00 0.00 55.97 55.23 3i2x s LYS 38 Cb -0.05 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 3i2x s LYS 38 CO -0.10 -1.24 -0.17 0.95 -0.36 0.00 0.00 175.35 174.43 3i2x s THR 39 N 3.14 2.77 0.00 3.43 -4.23 -1.26 -4.93 115.64 114.57 3i2x s THR 39 Ca 0.23 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3i2x s THR 39 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3i2x s THR 39 CO 0.17 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3i2x n GLY 40 N 0.18 3.48 2.55 3.99 0.00 -1.26 -3.26 105.19 110.86 3i2x n GLY 40 Ca -0.12 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 3i2x n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i2x n ASN 41 N 9.27 3.14 -4.82 1.61 5.15 -1.26 -5.04 115.26 123.30 3i2x n ASN 41 Ca 0.00 -3.18 -0.37 0.00 -0.60 0.00 0.00 54.58 50.42 3i2x n ASN 41 Cb 0.00 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.71 3i2x n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3i2x s GLU 42 N -3.39 3.88 0.00 1.20 2.02 -1.20 -4.97 118.70 116.24 3i2x s GLU 42 Ca 0.38 0.24 0.20 0.00 0.02 0.00 0.00 54.97 55.81 3i2x s GLU 42 Cb 0.42 -3.26 1.12 0.00 0.10 0.00 0.00 34.13 32.51 3i2x s GLU 42 CO -0.07 0.61 1.61 -0.35 0.02 0.00 0.00 175.26 177.09 3i2x n PRO 43 N 2.23 0.47 -3.52 0.39 -0.04 -1.26 -4.78 135.00 128.49 3i2x n PRO 43 Ca -0.15 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 3i2x n PRO 43 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 3i2x n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2x s PRO 45 N -3.66 1.68 0.00 0.00 0.02 -1.26 -4.57 135.00 127.21 3i2x s PRO 45 Ca 0.04 0.65 0.22 0.00 0.02 0.00 0.00 61.00 61.93 3i2x s PRO 45 Cb -0.02 -4.75 -0.01 0.00 0.02 0.00 0.00 34.50 29.74 3i2x s PRO 45 CO -0.08 -4.25 1.07 1.28 -0.33 0.00 0.00 177.00 174.69 3i2x n LEU 46 N 18.20 1.65 -4.67 -5.54 4.77 -1.21 -4.45 117.00 125.76 3i2x n LEU 46 Ca 0.45 -0.64 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 3i2x n LEU 46 Cb 0.45 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3i2x n LEU 46 CO 0.57 0.33 0.08 -0.89 -1.33 0.00 0.00 177.39 176.15 3i2x s THR 47 N -2.64 5.21 -0.30 -5.08 2.01 -0.90 0.73 115.64 114.67 3i2x s THR 47 Ca 0.16 0.68 -0.21 0.00 0.31 0.00 0.00 61.69 62.62 3i2x s THR 47 Cb 0.18 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 3i2x s THR 47 CO 0.65 0.26 0.68 -0.69 -0.69 0.00 0.00 174.62 174.83 3i2x s VAL 48 N 1.28 4.89 0.33 3.82 1.01 -1.12 0.11 120.40 130.72 3i2x s VAL 48 Ca 0.18 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.17 3i2x s VAL 48 Cb -0.15 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 3i2x s VAL 48 CO 0.08 -0.17 0.16 0.68 0.00 0.00 0.00 175.10 175.85 3i2x s VAL 49 N 2.71 0.39 -0.06 2.92 -7.23 -0.97 -2.60 120.40 115.57 3i2x s VAL 49 Ca 0.27 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3i2x s VAL 49 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 3i2x s VAL 49 CO 0.12 0.00 0.36 -0.60 -0.31 0.00 0.00 175.10 174.67 3i2x s ARG 50 N -3.76 3.96 0.30 4.82 3.52 0.12 -0.98 118.95 126.94 3i2x s ARG 50 Ca 0.34 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 3i2x s ARG 50 Cb 0.04 -3.28 -0.13 0.00 -1.56 0.00 0.00 34.95 30.03 3i2x s ARG 50 CO 0.18 0.56 1.28 0.45 -0.81 0.00 0.00 175.30 176.95 3i2x n SER 51 N 2.37 2.49 -1.17 -2.12 2.88 0.66 -4.43 113.62 114.30 3i2x n SER 51 Ca -0.14 1.18 0.03 0.00 -1.33 0.00 0.00 58.87 58.62 3i2x n SER 51 Cb 0.53 -1.43 0.20 0.00 -0.75 0.00 0.00 64.21 62.75 3i2x n SER 51 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i2x n PRO 52 N 1.04 2.89 -3.97 -1.46 -0.04 -1.26 -1.77 135.00 130.43 3i2x n PRO 52 Ca 0.08 -1.53 -0.31 0.00 -0.04 0.00 0.00 63.50 61.70 3i2x n PRO 52 Cb 0.34 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 31.77 3i2x n PRO 52 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3i2x s ASN 53 N -0.38 4.28 0.52 3.54 2.47 -1.26 -4.94 114.94 119.17 3i2x s ASN 53 Ca 0.26 -1.57 0.33 0.00 0.42 0.00 0.00 52.86 52.31 3i2x s ASN 53 Cb 0.20 -1.36 1.79 0.00 -1.45 0.00 0.00 41.25 40.43 3i2x s ASN 53 CO 0.08 -0.29 2.00 -0.33 -3.72 0.00 0.00 177.10 174.84 3i2x h GLU 54 N 7.83 0.00 -0.61 0.43 3.07 -1.83 -1.95 114.58 121.52 3i2x h GLU 54 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3i2x h GLU 54 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3i2x h GLU 54 CO 0.46 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 179.40 3i2x n VAL 55 N -2.69 2.13 -4.09 3.13 0.24 -1.26 -4.69 118.33 111.09 3i2x n VAL 55 Ca -0.02 -1.29 -0.33 0.00 -2.04 0.00 0.00 64.34 60.66 3i2x n VAL 55 Cb 0.11 -0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.41 3i2x n VAL 55 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i2x s SER 56 N -0.92 5.73 0.03 -1.34 0.01 -0.73 -4.99 113.70 111.49 3i2x s SER 56 Ca 0.52 0.17 0.26 0.00 1.31 0.00 0.00 55.95 58.21 3i2x s SER 56 Cb 0.36 -1.66 0.72 0.00 0.21 0.00 0.00 66.02 65.65 3i2x s SER 56 CO 0.22 0.28 1.58 0.29 0.41 0.00 0.00 173.24 176.01 3i2x n LYS 57 N 1.20 0.06 0.00 12.44 5.02 -1.26 -1.88 118.16 133.74 3i2x n LYS 57 Ca -0.13 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3i2x n LYS 57 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3i2x n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2x n GLY 58 N 1.47 -1.75 3.79 0.72 0.00 -1.26 -4.01 105.19 104.14 3i2x n GLY 58 Ca 0.06 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 3i2x n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2x s GLU 59 N 0.00 4.42 -0.38 1.61 0.41 0.15 -4.83 118.70 120.07 3i2x s GLU 59 Ca 0.00 0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 55.25 3i2x s GLU 59 Cb 0.00 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.09 3i2x s GLU 59 CO 0.00 0.58 1.43 -1.25 -0.49 0.00 0.00 175.26 175.53 3i2x s PRO 60 N -1.05 3.61 0.18 0.39 0.04 -1.26 -4.53 135.00 132.37 3i2x s PRO 60 Ca 0.33 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 3i2x s PRO 60 Cb -0.21 -4.02 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 3i2x s PRO 60 CO 0.23 -1.52 0.52 0.42 0.04 0.00 0.00 177.00 176.69 3i2x s ILE 61 N 5.39 4.94 -0.14 0.56 -1.09 -1.21 -1.40 121.20 128.25 3i2x s ILE 61 Ca 0.62 0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 59.50 3i2x s ILE 61 Cb -0.15 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3i2x s ILE 61 CO 0.31 0.09 0.19 -0.13 -1.23 0.00 0.00 174.94 174.18 3i2x s ARG 62 N -2.39 3.89 -0.35 2.79 0.52 0.22 -0.77 118.95 122.85 3i2x s ARG 62 Ca 0.42 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 3i2x s ARG 62 Cb -0.13 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.13 3i2x s ARG 62 CO 0.20 0.51 0.07 0.42 0.02 0.00 0.00 175.30 176.53 3i2x s ILE 63 N -0.30 2.55 0.05 1.52 -1.09 -0.91 -1.33 121.20 121.70 3i2x s ILE 63 Ca 0.14 -2.18 0.09 0.00 -2.23 0.00 0.00 60.65 56.47 3i2x s ILE 63 Cb -0.12 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 3i2x s ILE 63 CO 0.03 -0.55 -0.25 -0.55 -1.23 0.00 0.00 174.94 172.39 3i2x s SER 64 N 1.16 3.30 0.04 3.58 0.15 -0.46 -0.50 113.70 120.97 3i2x s SER 64 Ca 0.08 -0.58 0.26 0.00 0.70 0.00 0.00 55.95 56.41 3i2x s SER 64 Cb -0.20 -0.34 0.61 0.00 -1.71 0.00 0.00 66.02 64.38 3i2x s SER 64 CO -0.06 0.25 1.49 -1.20 1.20 0.00 0.00 173.24 174.92 3i2x n SER 65 N 1.63 0.47 -2.34 5.45 7.64 -1.26 -0.17 113.62 125.05 3i2x n SER 65 Ca -0.17 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.52 3i2x n SER 65 Cb 0.52 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 3i2x n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i2x n ARG 66 N -1.68 -1.75 -4.64 1.43 1.74 -1.26 -4.85 116.66 105.65 3i2x n ARG 66 Ca 0.05 0.96 -0.29 0.00 -0.77 0.00 0.00 57.85 57.80 3i2x n ARG 66 Cb 0.37 -5.59 -0.09 0.00 -1.02 0.00 0.00 32.46 26.13 3i2x n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i2x s LEU 67 N -5.85 2.39 -1.06 0.55 1.43 -1.26 -5.08 118.68 109.80 3i2x s LEU 67 Ca 0.00 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.53 3i2x s LEU 67 Cb 0.00 -0.62 0.21 0.00 0.03 0.00 0.00 46.19 45.80 3i2x s LEU 67 CO 0.00 -0.72 2.20 0.54 0.23 0.00 0.00 176.35 178.60 3i2x n ARG 68 N -1.04 4.45 -4.20 1.70 1.74 -1.26 -4.94 116.66 113.10 3i2x n ARG 68 Ca -0.11 -3.76 -0.20 0.00 -0.77 0.00 0.00 57.85 53.02 3i2x n ARG 68 Cb 0.67 -2.48 -0.12 0.00 -1.02 0.00 0.00 32.46 29.51 3i2x n ARG 68 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i2x s SER 69 N -0.38 1.91 0.44 0.55 0.15 -1.26 -5.02 113.70 110.09 3i2x s SER 69 Ca 0.49 -0.64 0.24 0.00 0.70 0.00 0.00 55.95 56.74 3i2x s SER 69 Cb 0.24 -0.07 0.48 0.00 -1.71 0.00 0.00 66.02 64.95 3i2x s SER 69 CO -0.16 -0.04 1.65 0.00 1.20 0.00 0.00 173.24 175.90 3i2x h ALA 70 N 4.22 0.96 -4.38 5.45 0.00 -1.92 -3.42 119.26 120.18 3i2x h ALA 70 Ca -0.42 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 3i2x h ALA 70 Cb 1.19 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3i2x h ALA 70 CO 0.40 0.09 -0.23 1.19 0.00 0.00 0.00 179.25 180.71 3i2x n PHE 71 N -3.13 0.37 -3.82 0.00 3.01 -1.26 0.28 117.46 112.91 3i2x n PHE 71 Ca 0.03 -1.21 -0.29 0.00 1.01 0.00 0.00 57.45 56.99 3i2x n PHE 71 Cb 0.52 -0.10 -0.16 0.00 -0.01 0.00 0.00 39.48 39.73 3i2x n PHE 71 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i2x s ILE 72 N -2.02 1.00 0.81 4.37 1.01 -1.26 -4.57 121.20 120.54 3i2x s ILE 72 Ca 0.04 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 3i2x s ILE 72 Cb 0.00 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 41.08 3i2x s ILE 72 CO 0.03 -0.24 1.01 -2.65 0.00 0.00 0.00 174.94 173.08 3i2x n PRO 73 N 4.86 0.15 -2.04 2.79 -0.02 -1.26 0.09 135.00 139.57 3i2x n PRO 73 Ca -0.09 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 3i2x n PRO 73 Cb 0.45 -2.27 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3i2x n PRO 73 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3i2x s ARG 74 N -3.83 3.44 0.00 -0.52 1.70 -1.23 -2.81 118.95 115.70 3i2x s ARG 74 Ca 0.70 1.98 0.00 0.00 -0.47 0.00 0.00 55.73 57.94 3i2x s ARG 74 Cb -0.29 -2.31 0.00 0.00 -0.57 0.00 0.00 34.95 31.77 3i2x s ARG 74 CO 0.54 -0.87 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 3i2x n GLY 75 N 0.57 2.29 3.78 3.88 0.00 -1.26 -4.98 105.19 109.46 3i2x n GLY 75 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3i2x n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2x s SER 76 N -3.08 6.05 0.55 1.61 1.04 -1.12 -4.89 113.70 113.85 3i2x s SER 76 Ca 0.00 2.17 -0.19 0.00 0.48 0.00 0.00 55.95 58.41 3i2x s SER 76 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 3i2x s SER 76 CO 0.00 -0.99 1.09 -0.76 0.98 0.00 0.00 173.24 173.56 3i2x s LEU 77 N -3.40 3.69 0.06 2.42 1.43 -1.26 -4.48 118.68 117.14 3i2x s LEU 77 Ca 0.68 2.02 -0.14 0.00 -1.03 0.00 0.00 54.13 55.66 3i2x s LEU 77 Cb -0.24 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.44 3i2x s LEU 77 CO 0.28 -1.13 0.32 0.68 0.23 0.00 0.00 176.35 176.73 3i2x s VAL 78 N -2.01 0.08 -0.12 -1.59 -7.23 0.15 -4.57 120.40 105.10 3i2x s VAL 78 Ca 0.69 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 3i2x s VAL 78 Cb -0.20 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3i2x s VAL 78 CO 0.28 -0.38 -0.01 0.00 -0.31 0.00 0.00 175.10 174.69 3i2x s ALA 79 N -2.81 3.20 -0.11 1.32 0.00 0.77 -2.66 121.76 121.47 3i2x s ALA 79 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3i2x s ALA 79 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 3i2x s ALA 79 CO -0.05 0.41 -0.08 -0.51 0.00 0.00 0.00 175.76 175.54 3i2x s LEU 80 N -0.31 3.08 -0.07 0.00 1.43 -1.26 -1.35 118.68 120.19 3i2x s LEU 80 Ca 0.06 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 3i2x s LEU 80 Cb -0.12 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.45 3i2x s LEU 80 CO 0.02 0.26 0.49 -0.83 0.23 0.00 0.00 176.35 176.52 3i2x s GLY 81 N -0.21 -0.35 0.01 -3.19 0.00 -0.44 -1.58 107.32 101.56 3i2x s GLY 81 Ca 0.02 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 45.39 3i2x s GLY 81 CO 0.03 0.69 1.70 -1.36 0.00 0.00 0.00 173.10 174.16 3i2x s PHE 82 N -0.86 2.04 0.35 1.90 0.40 -0.90 0.69 117.98 121.60 3i2x s PHE 82 Ca -0.09 0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.46 3i2x s PHE 82 Cb -0.03 -3.98 0.78 0.00 0.51 0.00 0.00 43.02 40.29 3i2x s PHE 82 CO 0.05 -4.12 1.88 0.00 0.70 0.00 0.00 175.22 173.74 3i2x h ALA 83 N 9.22 1.78 -2.17 5.36 0.00 -1.56 -3.05 119.26 128.84 3i2x h ALA 83 Ca -0.42 0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 3i2x h ALA 83 Cb 1.20 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 3i2x h ALA 83 CO 0.94 -0.00 -0.90 0.09 0.00 0.00 0.00 179.25 179.38 3i2x n ASN 84 N -4.55 1.35 -4.71 0.00 3.02 -1.26 -5.10 115.26 104.01 3i2x n ASN 84 Ca 0.16 -2.91 -0.30 0.00 -0.03 0.00 0.00 54.58 51.50 3i2x n ASN 84 Cb 0.41 -0.65 0.13 0.00 -0.61 0.00 0.00 39.78 39.07 3i2x n ASN 84 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i2x s PRO 85 N -1.44 1.43 0.40 3.52 0.04 -1.15 -4.98 135.00 132.83 3i2x s PRO 85 Ca 0.36 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 3i2x s PRO 85 Cb 0.13 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 3i2x s PRO 85 CO -0.10 -2.21 1.28 -2.30 0.04 0.00 0.00 177.00 173.72 3i2x n PRO 86 N -3.90 2.00 -1.22 0.56 -0.02 -1.26 -4.86 135.00 126.31 3i2x n PRO 86 Ca 0.09 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 3i2x n PRO 86 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3i2x n PRO 86 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i2x n SER 87 N 0.34 7.85 -0.00 2.55 7.64 -1.26 -3.39 113.62 127.34 3i2x n SER 87 Ca 0.06 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.40 3i2x n SER 87 Cb 0.39 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 3i2x n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i2x s ALA 89 N 0.00 3.56 0.65 0.00 0.00 -1.22 -4.49 121.76 120.27 3i2x s ALA 89 Ca 0.00 -0.77 0.32 0.00 0.00 0.00 0.00 51.96 51.51 3i2x s ALA 89 Cb 0.00 -1.66 1.76 0.00 0.00 0.00 0.00 23.12 23.22 3i2x s ALA 89 CO 0.00 0.63 2.01 0.00 0.00 0.00 0.00 175.76 178.40 3i2x h ALA 90 N 4.79 1.39 -2.20 0.00 0.00 -0.24 -3.44 119.26 119.56 3i2x h ALA 90 Ca -0.52 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.45 3i2x h ALA 90 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i2x h ALA 90 CO 0.58 -0.30 0.26 -1.13 0.00 0.00 0.00 179.25 178.65 3i2x n SER 91 N -3.07 -0.98 -0.10 0.00 3.41 -1.26 -4.78 113.62 106.84 3i2x n SER 91 Ca -0.01 -1.57 0.10 0.00 -0.26 0.00 0.00 58.87 57.14 3i2x n SER 91 Cb 0.35 1.60 -0.05 0.00 -0.26 0.00 0.00 64.21 65.84 3i2x n SER 91 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3i2x n PRO 92 N -0.35 0.26 -2.31 4.33 -0.04 -1.26 -4.78 135.00 130.84 3i2x n PRO 92 Ca -0.02 -0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 62.86 3i2x n PRO 92 Cb 0.30 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 3i2x n PRO 92 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i2x s TRP 93 N -2.89 3.02 0.63 0.54 0.52 -1.26 -2.12 118.94 117.38 3i2x s TRP 93 Ca 0.11 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.73 3i2x s TRP 93 Cb 0.17 -3.35 0.03 0.00 -1.15 0.00 0.00 33.47 29.17 3i2x s TRP 93 CO 0.79 -1.29 0.94 -1.58 0.02 0.00 0.00 176.95 175.82 3i2x s TRP 94 N -1.50 3.10 -0.06 -1.98 0.51 -0.61 -4.56 118.94 113.84 3i2x s TRP 94 Ca 0.60 0.53 -0.31 0.00 -2.12 0.00 0.00 56.10 54.80 3i2x s TRP 94 Cb -0.29 -2.91 0.11 0.00 -0.81 0.00 0.00 33.47 29.57 3i2x s TRP 94 CO 0.35 -1.05 1.00 0.99 -0.51 0.00 0.00 176.95 177.73 3i2x s THR 95 N -3.08 0.00 -0.12 2.01 2.01 -0.71 -4.49 115.64 111.27 3i2x s THR 95 Ca 0.56 -0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.49 3i2x s THR 95 Cb -0.11 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3i2x s THR 95 CO 0.45 0.00 0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 3i2x s VAL 96 N -2.89 4.82 0.05 3.82 1.01 -1.26 -1.37 120.40 124.58 3i2x s VAL 96 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.03 3i2x s VAL 96 Cb -0.01 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3i2x s VAL 96 CO -0.07 0.58 -0.08 0.68 0.00 0.00 0.00 175.10 176.20 3i2x s VAL 97 N -0.64 0.61 0.43 2.92 -7.23 -1.00 -4.99 120.40 110.50 3i2x s VAL 97 Ca 0.11 -1.17 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 3i2x s VAL 97 Cb -0.12 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 36.00 3i2x s VAL 97 CO 0.02 -0.40 1.34 -1.81 -0.31 0.00 0.00 175.10 173.94 3i2x s ASP 98 N -1.71 6.10 0.03 4.85 1.11 -1.26 -1.73 116.67 124.06 3i2x s ASP 98 Ca -0.07 2.73 -0.06 0.00 0.18 0.00 0.00 52.55 55.33 3i2x s ASP 98 Cb -0.09 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.25 3i2x s ASP 98 CO 0.00 -1.00 0.10 -0.55 1.18 0.00 0.00 175.17 174.90 3i2x s SER 99 N -0.71 0.14 0.02 0.27 0.15 -0.57 -4.79 113.70 108.22 3i2x s SER 99 Ca 0.59 -0.44 0.13 0.00 0.70 0.00 0.00 55.95 56.93 3i2x s SER 99 Cb -0.40 0.21 0.56 0.00 -1.71 0.00 0.00 66.02 64.68 3i2x s SER 99 CO 0.50 -0.46 1.41 -2.65 1.20 0.00 0.00 173.24 173.25 3i2x n PRO 100 N 1.00 0.02 -0.26 5.44 -0.02 -1.26 -0.01 135.00 139.90 3i2x n PRO 100 Ca -0.20 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3i2x n PRO 100 Cb 0.57 -1.53 0.23 0.00 -0.02 0.00 0.00 33.50 32.75 3i2x n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i2x n GLN 101 N -1.56 2.21 0.00 -0.52 3.00 -1.26 -5.03 117.38 114.21 3i2x n GLN 101 Ca 0.03 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 3i2x n GLN 101 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3i2x n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i2x n GLY 102 N 1.34 -1.62 3.62 1.08 0.00 0.98 -4.81 105.19 105.78 3i2x n GLY 102 Ca 0.18 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3i2x n GLY 102 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i2x s PRO 103 N 0.00 3.57 0.12 1.61 0.02 -1.26 -1.51 135.00 137.54 3i2x s PRO 103 Ca 0.00 1.61 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 3i2x s PRO 103 Cb 0.00 -4.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.34 3i2x s PRO 103 CO 0.00 -1.57 0.34 0.00 -0.33 0.00 0.00 177.00 175.44 3i2x s ALA 104 N 6.07 3.82 -0.22 -1.55 0.00 -0.70 -1.08 121.76 128.10 3i2x s ALA 104 Ca 0.77 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 3i2x s ALA 104 Cb -0.25 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3i2x s ALA 104 CO 0.32 0.69 0.48 0.08 0.00 0.00 0.00 175.76 177.33 3i2x s VAL 105 N -1.59 5.12 0.27 0.00 1.01 0.23 -2.37 120.40 123.07 3i2x s VAL 105 Ca 0.38 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 3i2x s VAL 105 Cb -0.12 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3i2x s VAL 105 CO 0.24 0.17 0.32 -0.54 0.00 0.00 0.00 175.10 175.29 3i2x s LYS 106 N 1.76 1.57 0.17 2.72 -0.14 -0.47 -2.79 119.74 122.56 3i2x s LYS 106 Ca 0.22 -1.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.21 3i2x s LYS 106 Cb -0.15 0.37 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 3i2x s LYS 106 CO 0.09 -0.60 0.21 -0.51 -0.76 0.00 0.00 175.35 173.78 3i2x s LEU 107 N -3.19 4.02 0.06 3.17 1.43 0.22 -1.74 118.68 122.66 3i2x s LEU 107 Ca 0.34 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3i2x s LEU 107 Cb 0.03 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3i2x s LEU 107 CO 0.17 0.04 -0.23 -0.55 0.23 0.00 0.00 176.35 176.01 3i2x s SER 108 N -3.27 2.73 -0.07 2.29 0.15 -1.26 -4.84 113.70 109.43 3i2x s SER 108 Ca 0.33 -0.59 0.07 0.00 0.70 0.00 0.00 55.95 56.45 3i2x s SER 108 Cb -0.10 -0.21 0.32 0.00 -1.71 0.00 0.00 66.02 64.32 3i2x s SER 108 CO 0.26 0.17 1.08 0.00 1.20 0.00 0.00 173.24 175.94 3i2x n GLN 109 N 1.60 2.39 -4.96 5.44 6.02 -1.26 0.43 117.38 127.05 3i2x n GLN 109 Ca -0.18 -1.26 -0.28 0.00 -0.01 0.00 0.00 57.00 55.27 3i2x n GLN 109 Cb 0.53 -1.67 -0.15 0.00 1.02 0.00 0.00 30.24 29.97 3i2x n GLN 109 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i2x s GLN 110 N -1.70 1.70 -0.09 -1.09 1.11 -1.26 -4.46 119.66 113.86 3i2x s GLN 110 Ca 0.22 -0.87 -0.30 0.00 0.01 0.00 0.00 55.36 54.42 3i2x s GLN 110 Cb 0.16 -1.71 -0.04 0.00 -1.01 0.00 0.00 33.01 30.41 3i2x s GLN 110 CO 0.09 0.46 1.45 0.21 0.01 0.00 0.00 175.29 177.50 3i2x s LYS 111 N -0.78 4.22 0.08 2.91 2.20 -1.26 -4.45 119.74 122.65 3i2x s LYS 111 Ca 0.09 1.93 -0.02 0.00 -0.36 0.00 0.00 55.97 57.61 3i2x s LYS 111 Cb -0.09 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 3i2x s LYS 111 CO 0.00 -0.75 0.25 -0.51 -0.36 0.00 0.00 175.35 173.99 3i2x s LEU 112 N 3.58 4.34 0.10 5.43 1.43 -1.26 -5.07 118.68 127.22 3i2x s LEU 112 Ca 0.64 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.81 3i2x s LEU 112 Cb -0.28 -3.02 -0.06 0.00 0.03 0.00 0.00 46.19 42.86 3i2x s LEU 112 CO 0.23 0.15 0.95 -2.16 0.23 0.00 0.00 176.35 175.74 3i2x s PRO 113 N -2.49 4.68 0.03 1.29 0.04 -1.26 -4.94 135.00 132.35 3i2x s PRO 113 Ca 0.36 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 3i2x s PRO 113 Cb -0.13 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3i2x s PRO 113 CO 0.26 0.21 0.36 -1.91 0.04 0.00 0.00 177.00 175.96 3i2x n GLU 114 N 2.83 -0.09 0.00 4.56 2.13 -1.26 0.27 120.64 129.08 3i2x n GLU 114 Ca 0.02 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3i2x n GLU 114 Cb 0.49 -0.52 0.00 0.00 0.27 0.00 0.00 31.44 31.69 3i2x n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i2x n LYS 115 N -3.86 0.00 -0.02 5.31 5.02 -1.26 0.27 118.16 123.62 3i2x n LYS 115 Ca 0.00 0.14 0.06 0.00 -2.02 0.00 0.00 58.31 56.50 3i2x n LYS 115 Cb 0.05 -1.69 -0.15 0.00 -0.02 0.00 0.00 35.03 33.22 3i2x n LYS 115 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i2x n ASP 116 N -1.04 0.10 -0.11 4.39 10.43 0.14 -4.58 116.55 125.88 3i2x n ASP 116 Ca 0.00 0.04 -0.14 0.00 2.57 0.00 0.00 54.79 57.26 3i2x n ASP 116 Cb 0.19 1.60 -0.13 0.00 1.84 0.00 0.00 41.12 44.62 3i2x n ASP 116 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3i2x n ILE 117 N -2.42 1.39 -1.51 0.53 -5.35 0.14 -4.29 119.36 107.86 3i2x n ILE 117 Ca -0.10 -0.66 -0.39 0.00 -0.27 0.00 0.00 62.75 61.33 3i2x n ILE 117 Cb 0.70 -1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 37.57 3i2x n ILE 117 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3i2x n LEU 118 N -3.02 8.54 -0.50 7.28 7.94 -0.89 -4.37 117.00 131.98 3i2x n LEU 118 Ca -0.39 -4.51 0.06 0.00 -1.11 0.00 0.00 56.01 50.07 3i2x n LEU 118 Cb 1.04 -1.51 0.19 0.00 0.53 0.00 0.00 43.42 43.67 3i2x n LEU 118 CO 0.32 2.05 0.51 1.33 -1.11 0.00 0.00 177.39 180.49 3i2x n VAL 119 N 3.12 2.14 -4.37 1.96 0.24 -1.26 -4.74 118.33 115.42 3i2x n VAL 119 Ca 0.74 -2.70 -0.27 0.00 -2.04 0.00 0.00 64.34 60.07 3i2x n VAL 119 Cb 0.24 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.23 3i2x n VAL 119 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i2x s PHE 120 N -3.07 2.15 -0.17 6.34 0.08 -1.09 -0.65 117.98 121.56 3i2x s PHE 120 Ca 0.37 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 3i2x s PHE 120 Cb 0.34 -1.14 0.05 0.00 -0.57 0.00 0.00 43.02 41.70 3i2x s PHE 120 CO -0.01 0.34 0.52 0.21 -0.10 0.00 0.00 175.22 176.18 3i2x s LYS 121 N -2.22 0.64 0.22 0.44 2.20 -0.42 0.30 119.74 120.89 3i2x s LYS 121 Ca 0.14 0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 56.38 3i2x s LYS 121 Cb -0.09 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 3i2x s LYS 121 CO 0.07 -0.10 0.41 -0.06 -0.36 0.00 0.00 175.35 175.31 3i2x s PHE 122 N 0.06 3.48 -0.03 4.03 0.08 -1.26 0.28 117.98 124.63 3i2x s PHE 122 Ca -0.02 0.33 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 3i2x s PHE 122 Cb -0.04 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3i2x s PHE 122 CO 0.02 0.35 0.04 -2.00 -0.10 0.00 0.00 175.22 173.52 3i2x s GLU 123 N -3.49 -0.04 -0.40 0.44 2.12 -0.50 -4.34 118.70 112.49 3i2x s GLU 123 Ca 0.38 0.24 -0.31 0.00 0.36 0.00 0.00 54.97 55.65 3i2x s GLU 123 Cb -0.11 -0.34 -0.09 0.00 0.26 0.00 0.00 34.13 33.85 3i2x s GLU 123 CO 0.30 -0.22 2.30 1.17 -0.54 0.00 0.00 175.26 178.27 3i2x n LYS 124 N 4.52 1.22 -2.81 4.30 4.81 -1.26 -0.34 118.16 128.60 3i2x n LYS 124 Ca -0.21 0.26 -0.40 0.00 -0.87 0.00 0.00 58.31 57.09 3i2x n LYS 124 Cb 0.50 -2.85 -0.06 0.00 0.02 0.00 0.00 35.03 32.64 3i2x n LYS 124 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i2x s VAL 125 N 9.01 4.23 -0.02 3.15 1.01 0.07 -4.92 120.40 132.93 3i2x s VAL 125 Ca 1.07 1.98 -0.02 0.00 0.00 0.00 0.00 61.98 65.01 3i2x s VAL 125 Cb -0.57 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.47 3i2x s VAL 125 CO 0.39 0.47 2.43 -1.20 0.00 0.00 0.00 175.10 177.20 3i2x n SER 126 N 1.77 5.38 -4.50 3.32 7.64 -1.26 -4.58 113.62 121.38 3i2x n SER 126 Ca -0.02 -2.46 -0.43 0.00 1.01 0.00 0.00 58.87 56.96 3i2x n SER 126 Cb 0.48 -1.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.42 3i2x n SER 126 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3i2x s HIS 127 N 0.17 2.93 -0.15 1.43 5.65 -1.26 -5.01 115.29 119.04 3i2x s HIS 127 Ca 0.19 -0.13 -0.15 0.00 0.25 0.00 0.00 55.06 55.21 3i2x s HIS 127 Cb 0.10 -3.78 -0.04 0.00 -1.18 0.00 0.00 32.58 27.67 3i2x s HIS 127 CO -0.00 -1.15 0.36 -1.12 -0.65 0.00 0.00 174.74 172.18 3i2x s SER 128 N 2.59 6.51 0.00 9.88 0.01 -1.26 -4.08 113.70 127.36 3i2x s SER 128 Ca 0.25 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.12 3i2x s SER 128 Cb -0.14 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3i2x s SER 128 CO 0.18 0.05 0.00 0.59 0.41 0.00 0.00 173.24 174.47 3i2x n ASN 129 N 3.67 0.00 -3.93 2.44 3.02 -1.26 -5.10 115.26 114.10 3i2x n ASN 129 Ca -0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 3i2x n ASN 129 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 3i2x n ASN 129 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3i2x s ILE 130 N -0.61 0.13 -0.66 2.41 2.07 -1.26 -5.06 121.20 118.22 3i2x s ILE 130 Ca 0.00 -1.09 -0.19 0.00 -1.41 0.00 0.00 60.65 57.96 3i2x s ILE 130 Cb 0.00 -0.87 0.11 0.00 0.13 0.00 0.00 42.46 41.83 3i2x s ILE 130 CO 0.00 -0.60 0.80 -1.00 -1.91 0.00 0.00 174.94 172.23 3i2x s HIS 131 N -2.56 3.02 -0.20 3.50 3.76 -1.26 -4.79 115.29 116.75 3i2x s HIS 131 Ca -0.05 -1.03 -0.10 0.00 -0.15 0.00 0.00 55.06 53.73 3i2x s HIS 131 Cb -0.01 -4.07 -0.05 0.00 1.11 0.00 0.00 32.58 29.55 3i2x s HIS 131 CO -0.04 -1.35 0.13 0.08 -0.85 0.00 0.00 174.74 172.71 3i2x s VAL 132 N 2.70 5.39 0.09 -0.90 1.01 -1.26 -4.42 120.40 123.01 3i2x s VAL 132 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.40 3i2x s VAL 132 Cb -0.20 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3i2x s VAL 132 CO 0.04 0.44 -0.21 -0.31 0.00 0.00 0.00 175.10 175.05 3i2x s TYR 133 N 0.40 1.80 0.35 5.22 2.02 0.21 -0.75 117.35 126.60 3i2x s TYR 133 Ca 0.08 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 3i2x s TYR 133 Cb -0.11 -1.01 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3i2x s TYR 133 CO -0.02 0.18 0.50 0.15 -1.57 0.00 0.00 175.55 174.79 3i2x s LYS 134 N -1.72 3.09 -0.24 -0.62 1.02 0.54 0.15 119.74 121.96 3i2x s LYS 134 Ca 0.07 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 3i2x s LYS 134 Cb -0.10 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3i2x s LYS 134 CO 0.04 -0.00 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.21 3i2x s LEU 135 N -4.23 3.06 0.07 3.17 2.96 -1.26 -1.41 118.68 121.04 3i2x s LEU 135 Ca 0.46 -0.89 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3i2x s LEU 135 Cb -0.10 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3i2x s LEU 135 CO 0.32 -0.11 0.20 -0.76 -1.32 0.00 0.00 176.35 174.67 3i2x s LEU 136 N 1.30 4.26 -0.23 -0.68 1.43 0.14 -0.82 118.68 124.09 3i2x s LEU 136 Ca -0.00 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3i2x s LEU 136 Cb -0.16 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.20 3i2x s LEU 136 CO -0.06 0.16 -0.08 -0.47 0.23 0.00 0.00 176.35 176.13 3i2x s TYR 137 N -1.52 3.01 -0.04 0.29 5.04 -0.56 -1.31 117.35 122.26 3i2x s TYR 137 Ca 0.34 -1.47 -0.02 0.00 -2.44 0.00 0.00 57.07 53.48 3i2x s TYR 137 Cb -0.13 -2.04 0.03 0.00 0.35 0.00 0.00 41.96 40.17 3i2x s TYR 137 CO 0.27 -0.71 0.07 0.00 -1.34 0.00 0.00 175.55 173.84 3i2x n GLN 139 N 5.08 0.07 0.00 0.00 6.02 -1.26 -4.30 117.38 122.99 3i2x n GLN 139 Ca -0.08 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3i2x n GLN 139 Cb 0.50 -0.61 0.00 0.00 1.02 0.00 0.00 30.24 31.15 3i2x n GLN 139 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3i2x n HIS 140 N -2.77 0.00 -0.10 1.08 -0.00 -1.26 -4.90 115.22 107.27 3i2x n HIS 140 Ca -0.02 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.15 3i2x n HIS 140 Cb 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 3i2x n HIS 140 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 3i2x n ASP 141 N -0.28 -0.27 -0.89 0.26 4.64 -1.26 -5.07 116.55 113.68 3i2x n ASP 141 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i2x n ASP 141 Cb 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 41.12 40.02 3i2x n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3i2x n GLU 142 N 0.26 0.00 -2.26 -0.67 -0.58 -1.26 -4.91 120.64 111.21 3i2x n GLU 142 Ca -0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 3i2x n GLU 142 Cb 0.02 -0.47 -0.00 0.00 -0.57 0.00 0.00 31.44 30.41 3i2x n GLU 142 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3i2x n GLU 143 N -2.00 -1.00 0.00 3.49 0.28 -1.26 -4.05 120.64 116.10 3i2x n GLU 143 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i2x n GLU 143 Cb 0.00 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 32.79 3i2x n GLU 143 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3i2x n ASP 144 N 0.37 0.00 -3.71 -1.84 10.43 -1.26 -5.09 116.55 115.45 3i2x n ASP 144 Ca -0.00 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.24 3i2x n ASP 144 Cb 0.01 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.86 3i2x n ASP 144 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3i2x s VAL 145 N -0.32 -0.03 -0.00 2.53 0.11 -1.26 -5.15 120.40 116.29 3i2x s VAL 145 Ca 0.00 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.87 3i2x s VAL 145 Cb 0.00 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3i2x s VAL 145 CO 0.00 0.04 0.89 -0.75 -3.33 0.00 0.00 175.10 171.95 3i2x s LYS 146 N 1.24 4.54 0.04 1.54 2.20 -1.26 -4.50 119.74 123.54 3i2x s LYS 146 Ca -0.09 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 3i2x s LYS 146 Cb -0.08 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3i2x s LYS 146 CO -0.10 0.03 1.18 0.00 -0.36 0.00 0.00 175.35 176.10 3i2x n ASP 148 N 4.13 1.97 -4.07 0.00 3.85 -1.26 -5.00 116.55 116.17 3i2x n ASP 148 Ca 0.09 -2.69 -0.35 0.00 -0.71 0.00 0.00 54.79 51.12 3i2x n ASP 148 Cb 0.47 -0.50 -0.10 0.00 -1.35 0.00 0.00 41.12 39.63 3i2x n ASP 148 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i2x s GLN 149 N -3.36 2.51 0.09 0.11 -0.21 -1.26 -5.08 119.66 112.46 3i2x s GLN 149 Ca 0.30 -2.58 -0.24 0.00 0.02 0.00 0.00 55.36 52.87 3i2x s GLN 149 Cb 0.42 -3.68 -0.07 0.00 1.00 0.00 0.00 33.01 30.68 3i2x s GLN 149 CO -0.00 -1.17 0.72 0.71 -2.12 0.00 0.00 175.29 173.43 3i2x s TYR 150 N -0.16 3.81 -0.27 0.91 1.51 -1.26 -1.50 117.35 120.39 3i2x s TYR 150 Ca 0.17 1.47 -0.29 0.00 -1.01 0.00 0.00 57.07 57.41 3i2x s TYR 150 Cb -0.21 -2.72 0.01 0.00 -0.11 0.00 0.00 41.96 38.93 3i2x s TYR 150 CO -0.03 0.42 1.09 0.42 -1.11 0.00 0.00 175.55 176.35 3i2x s ILE 151 N -0.65 4.53 0.00 2.71 -1.09 0.00 -2.61 121.20 124.10 3i2x s ILE 151 Ca 0.35 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.58 3i2x s ILE 151 Cb -0.21 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 3i2x s ILE 151 CO 0.23 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 3i2x n GLY 152 N 3.65 3.99 3.15 6.18 0.00 0.21 -2.13 105.19 120.24 3i2x n GLY 152 Ca 0.12 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 3i2x n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2x s ILE 153 N 1.89 1.17 -0.21 -0.61 1.01 -1.24 -2.55 121.20 120.65 3i2x s ILE 153 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 3i2x s ILE 153 Cb 0.00 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.48 3i2x s ILE 153 CO 0.00 0.05 -0.04 -2.28 0.00 0.00 0.00 174.94 172.67 3i2x s HIS 154 N -0.80 2.06 -0.45 3.97 5.65 0.32 -4.91 115.29 121.12 3i2x s HIS 154 Ca 0.03 -1.48 -0.24 0.00 0.25 0.00 0.00 55.06 53.61 3i2x s HIS 154 Cb -0.08 -1.45 0.03 0.00 -1.18 0.00 0.00 32.58 29.90 3i2x s HIS 154 CO 0.01 -0.72 0.81 0.50 -0.65 0.00 0.00 174.74 174.70 3i2x s ARG 155 N 1.51 3.43 0.95 2.88 3.52 -1.23 -0.72 118.95 129.29 3i2x s ARG 155 Ca -0.04 -0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.36 3i2x s ARG 155 Cb -0.18 -3.94 0.19 0.00 -1.56 0.00 0.00 34.95 29.46 3i2x s ARG 155 CO -0.07 -1.14 1.28 0.16 -0.81 0.00 0.00 175.30 174.72 3i2x s ASP 156 N 2.16 3.18 0.57 -2.12 3.84 -0.74 -4.89 116.67 118.67 3i2x s ASP 156 Ca 0.31 0.40 0.26 0.00 -0.00 0.00 0.00 52.55 53.52 3i2x s ASP 156 Cb -0.12 -0.54 1.56 0.00 -1.38 0.00 0.00 42.92 42.44 3i2x s ASP 156 CO 0.23 -2.70 2.11 0.03 -0.00 0.00 0.00 175.17 174.84 3i2x h ARG 157 N -1.62 0.00 -0.89 2.11 3.08 -1.96 -0.67 114.38 114.44 3i2x h ARG 157 Ca -0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.43 3i2x h ARG 157 Cb 1.26 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.21 3i2x h ARG 157 CO 0.43 0.00 0.22 0.09 -1.07 0.00 0.00 179.97 179.63 3i2x n ASN 158 N -4.06 3.63 0.00 7.04 5.03 -1.26 -4.90 115.26 120.74 3i2x n ASN 158 Ca 0.02 -2.78 0.00 0.00 0.87 0.00 0.00 54.58 52.69 3i2x n ASN 158 Cb 0.30 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3i2x n ASN 158 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i2x n GLY 159 N -0.09 0.89 3.69 7.41 0.00 -0.26 -4.99 105.19 111.85 3i2x n GLY 159 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3i2x n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2x s ASN 160 N -2.74 6.74 -1.20 1.61 0.01 -1.26 -4.75 114.94 113.34 3i2x s ASN 160 Ca 0.00 2.31 -0.14 0.00 -0.71 0.00 0.00 52.86 54.32 3i2x s ASN 160 Cb 0.00 -2.57 0.16 0.00 0.41 0.00 0.00 41.25 39.25 3i2x s ASN 160 CO 0.00 -0.78 1.44 -0.13 -1.51 0.00 0.00 177.10 176.12 3i2x s ARG 161 N 2.23 4.05 0.16 -0.60 0.52 -1.26 -1.79 118.95 122.27 3i2x s ARG 161 Ca 0.68 -2.49 -0.30 0.00 -0.52 0.00 0.00 55.73 53.10 3i2x s ARG 161 Cb -0.36 -5.09 -0.07 0.00 0.52 0.00 0.00 34.95 29.95 3i2x s ARG 161 CO 0.29 -1.81 1.06 1.03 0.02 0.00 0.00 175.30 175.90 3i2x s ARG 162 N 1.85 4.63 -0.45 3.54 0.52 0.10 -0.70 118.95 128.44 3i2x s ARG 162 Ca 0.43 1.64 -0.23 0.00 -0.52 0.00 0.00 55.73 57.05 3i2x s ARG 162 Cb -0.02 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.17 3i2x s ARG 162 CO 0.00 0.13 0.77 -0.51 0.02 0.00 0.00 175.30 175.71 3i2x s LEU 163 N -0.29 4.28 0.00 2.53 1.02 -1.07 0.12 118.68 125.27 3i2x s LEU 163 Ca 0.48 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.51 3i2x s LEU 163 Cb -0.28 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 42.99 3i2x s LEU 163 CO 0.33 -0.90 0.00 1.33 0.02 0.00 0.00 176.35 177.13 3i2x n VAL 164 N 6.11 0.00 -3.42 -1.59 0.24 -1.06 -0.60 118.33 118.01 3i2x n VAL 164 Ca 0.02 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.88 3i2x n VAL 164 Cb 0.48 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 3i2x n VAL 164 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i2x s VAL 165 N -1.52 5.17 0.30 3.34 1.01 -0.24 0.63 120.40 129.10 3i2x s VAL 165 Ca 0.00 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.11 3i2x s VAL 165 Cb 0.00 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3i2x s VAL 165 CO 0.00 -0.50 -0.11 0.42 0.00 0.00 0.00 175.10 174.91 3i2x s THR 166 N 1.64 2.64 -0.32 3.92 -4.23 -1.07 -4.58 115.64 113.63 3i2x s THR 166 Ca 0.04 -2.20 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3i2x s THR 166 Cb -0.23 -2.56 0.67 0.00 1.34 0.00 0.00 72.50 71.73 3i2x s THR 166 CO 0.07 -0.32 1.73 -0.62 -0.54 0.00 0.00 174.62 174.94 3i2x n GLU 167 N -0.76 3.06 -3.50 3.99 1.02 -1.26 -4.48 120.64 118.70 3i2x n GLU 167 Ca -0.05 -3.07 -0.10 0.00 -0.02 0.00 0.00 57.16 53.93 3i2x n GLU 167 Cb 0.61 -2.10 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3i2x n GLU 167 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i2x s GLU 168 N -3.08 1.12 -1.50 3.49 2.02 -1.26 -4.98 118.70 114.52 3i2x s GLU 168 Ca 0.52 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 3i2x s GLU 168 Cb 0.43 0.49 0.02 0.00 0.10 0.00 0.00 34.13 35.17 3i2x s GLU 168 CO 0.10 -0.49 0.28 0.27 0.02 0.00 0.00 175.26 175.44 3i2x n ASN 169 N -0.33 -0.04 -4.76 -0.19 6.94 -1.26 -4.50 115.26 111.12 3i2x n ASN 169 Ca -0.12 -1.12 -0.40 0.00 -0.02 0.00 0.00 54.58 52.91 3i2x n ASN 169 Cb 0.63 -2.42 -0.04 0.00 -2.36 0.00 0.00 39.78 35.59 3i2x n ASN 169 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3i2x s PRO 170 N -6.92 4.62 0.43 -0.53 0.04 -1.26 -3.73 135.00 127.65 3i2x s PRO 170 Ca 0.07 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 3i2x s PRO 170 Cb -0.04 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.21 3i2x s PRO 170 CO 0.94 0.18 0.92 1.28 0.04 0.00 0.00 177.00 180.37 3i2x n LEU 171 N 1.23 2.18 -3.66 -3.56 4.77 -0.90 -4.98 117.00 112.08 3i2x n LEU 171 Ca -0.01 1.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.71 3i2x n LEU 171 Cb 0.45 -1.31 -0.17 0.00 -2.33 0.00 0.00 43.42 40.06 3i2x n LEU 171 CO 0.54 -1.76 -0.34 -1.61 -1.33 0.00 0.00 177.39 172.89 3i2x s GLU 172 N -1.97 0.24 0.31 3.23 2.02 -1.26 -4.10 118.70 117.17 3i2x s GLU 172 Ca 0.64 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 55.56 3i2x s GLU 172 Cb -0.56 -1.80 -0.06 0.00 0.10 0.00 0.00 34.13 31.81 3i2x s GLU 172 CO 0.56 -0.63 -0.05 -0.51 0.02 0.00 0.00 175.26 174.65 3i2x s LEU 173 N 2.05 2.57 0.05 1.80 1.43 0.12 -3.31 118.68 123.40 3i2x s LEU 173 Ca 0.01 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 51.95 3i2x s LEU 173 Cb -0.16 -0.75 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 3i2x s LEU 173 CO -0.08 -0.33 -0.16 0.68 0.23 0.00 0.00 176.35 176.69 3i2x s VAL 174 N -2.89 1.24 -0.33 -1.59 -7.23 -0.20 0.63 120.40 110.03 3i2x s VAL 174 Ca 0.31 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 3i2x s VAL 174 Cb 0.04 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 3i2x s VAL 174 CO 0.14 -0.01 0.18 -0.76 -0.31 0.00 0.00 175.10 174.34 3i2x s LEU 175 N -1.31 4.33 -0.22 1.32 1.43 -1.26 -1.88 118.68 121.09 3i2x s LEU 175 Ca 0.02 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 3i2x s LEU 175 Cb -0.09 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3i2x s LEU 175 CO 0.02 -0.25 0.07 -0.22 0.23 0.00 0.00 176.35 176.20 3i2x s LEU 176 N 1.62 3.60 0.07 1.79 2.96 -0.68 0.20 118.68 128.24 3i2x s LEU 176 Ca 0.04 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.56 3i2x s LEU 176 Cb -0.18 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.50 3i2x s LEU 176 CO 0.07 0.06 1.55 -0.75 -1.32 0.00 0.00 176.35 175.96 3i2x s LYS 177 N 1.06 4.23 0.42 1.98 2.47 -1.26 0.33 119.74 128.97 3i2x s LYS 177 Ca 0.04 2.22 -0.22 0.00 -1.56 0.00 0.00 55.97 56.45 3i2x s LYS 177 Cb -0.14 -3.48 -0.10 0.00 -1.46 0.00 0.00 37.83 32.65 3i2x s LYS 177 CO 0.03 -0.64 0.99 0.00 0.16 0.00 0.00 175.35 175.89 3i2x s ALA 178 N 2.17 3.04 0.11 3.13 0.00 0.18 -4.82 121.76 125.56 3i2x s ALA 178 Ca 0.70 0.54 0.01 0.00 0.00 0.00 0.00 51.96 53.21 3i2x s ALA 178 Cb -0.38 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 3i2x s ALA 178 CO 0.30 -0.06 0.02 0.36 0.00 0.00 0.00 175.76 176.39 3i2x n LYS 179 N -0.39 1.10 0.00 0.00 0.00 -1.26 -4.90 118.16 112.71 3i2x n LYS 179 Ca 0.06 -0.85 0.13 0.00 -0.00 0.00 0.00 58.31 57.65 3i2x n LYS 179 Cb 0.52 0.39 0.23 0.00 -0.00 0.00 0.00 35.03 36.17 3i2x n LYS 179 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83