#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i2a h SER 1 N 0.00 -0.09 -4.14 1.61 0.87 -2.06 -3.51 113.55 106.23 3i2a h SER 1 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i2a h SER 1 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3i2a h SER 1 CO 0.00 0.01 -0.55 1.41 -0.53 0.00 0.00 176.83 177.17 3i2a n HIS 2 N -2.72 -2.77 0.29 2.24 -0.00 -1.26 -4.52 115.22 106.48 3i2a n HIS 2 Ca -0.01 1.45 0.17 0.00 -0.00 0.00 0.00 57.72 59.32 3i2a n HIS 2 Cb 0.04 -2.73 0.71 0.00 -0.00 0.00 0.00 29.99 28.02 3i2a n HIS 2 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 3i2a h MET 3 N 1.62 0.00 0.00 -0.41 1.85 -1.99 -1.95 114.93 114.05 3i2a h MET 3 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3i2a h MET 3 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3i2a h MET 3 CO 0.00 0.00 0.00 -0.25 -0.40 0.00 0.00 176.91 176.26 3i2a n ASP 4 N -3.01 0.00 0.07 1.39 9.92 -1.26 -2.56 116.55 121.09 3i2a n ASP 4 Ca 0.00 -0.09 0.11 0.00 -0.53 0.00 0.00 54.79 54.29 3i2a n ASP 4 Cb 0.28 -0.21 0.01 0.00 -0.64 0.00 0.00 41.12 40.56 3i2a n ASP 4 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i2a n ASP 5 N -1.21 0.67 -4.80 -2.24 9.92 -0.73 -4.92 116.55 113.24 3i2a n ASP 5 Ca 0.09 0.13 -0.35 0.00 -0.53 0.00 0.00 54.79 54.13 3i2a n ASP 5 Cb 0.11 0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 41.20 3i2a n ASP 5 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3i2a s ASP 6 N -4.73 6.66 0.44 -2.24 -0.00 -1.06 0.21 116.67 115.95 3i2a s ASP 6 Ca 0.01 1.90 -0.24 0.00 -0.00 0.00 0.00 52.55 54.22 3i2a s ASP 6 Cb 0.12 -2.56 -0.08 0.00 -0.00 0.00 0.00 42.92 40.40 3i2a s ASP 6 CO 0.79 -0.55 1.20 -0.76 -0.00 0.00 0.00 175.17 175.85 3i2a s LEU 7 N -3.08 4.09 0.03 1.23 1.43 0.13 -4.81 118.68 117.70 3i2a s LEU 7 Ca 0.62 2.41 0.06 0.00 -1.03 0.00 0.00 54.13 56.19 3i2a s LEU 7 Cb -0.16 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 3i2a s LEU 7 CO 0.21 -0.89 -0.17 -0.69 0.23 0.00 0.00 176.35 175.04 3i2a s VAL 8 N -1.44 1.38 0.69 -1.59 1.01 -1.26 -0.44 120.40 118.74 3i2a s VAL 8 Ca 0.61 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3i2a s VAL 8 Cb -0.32 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 34.95 3i2a s VAL 8 CO 0.39 0.17 0.96 1.51 0.00 0.00 0.00 175.10 178.13 3i2a s ASP 9 N -0.98 4.61 0.12 3.32 3.84 0.64 -4.68 116.67 123.55 3i2a s ASP 9 Ca 0.05 -0.05 0.07 0.00 -0.00 0.00 0.00 52.55 52.62 3i2a s ASP 9 Cb -0.08 -0.50 0.39 0.00 -1.38 0.00 0.00 42.92 41.35 3i2a s ASP 9 CO 0.01 -1.67 1.16 0.00 -0.00 0.00 0.00 175.17 174.67 3i2a n ALA 10 N -2.78 0.86 0.25 2.11 0.00 0.32 -0.56 120.51 120.71 3i2a n ALA 10 Ca 0.12 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.72 3i2a n ALA 10 Cb 0.60 -0.95 0.19 0.00 0.00 0.00 0.00 19.45 19.28 3i2a n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i2a n GLU 11 N -1.72 2.32 -0.84 0.00 1.02 -1.26 -4.94 120.64 115.22 3i2a n GLU 11 Ca -0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 3i2a n GLU 11 Cb 0.10 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3i2a n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i2a n GLY 12 N 1.27 0.53 3.64 0.62 0.00 0.28 -5.05 105.19 106.47 3i2a n GLY 12 Ca 0.17 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3i2a n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2a s ASN 13 N -2.46 4.96 0.21 1.61 0.01 -1.25 -4.85 114.94 113.17 3i2a s ASN 13 Ca 0.00 0.04 -0.32 0.00 -0.71 0.00 0.00 52.86 51.87 3i2a s ASN 13 Cb 0.00 -1.31 -0.14 0.00 0.41 0.00 0.00 41.25 40.21 3i2a s ASN 13 CO 0.00 0.35 1.40 0.18 -1.51 0.00 0.00 177.10 177.51 3i2a n LEU 14 N 1.99 2.84 -4.73 0.60 4.77 -1.26 -0.26 117.00 120.95 3i2a n LEU 14 Ca -0.17 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.52 3i2a n LEU 14 Cb 0.53 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 3i2a n LEU 14 CO 0.29 -0.59 1.01 -0.69 -1.33 0.00 0.00 177.39 176.08 3i2a s VAL 15 N 0.07 3.27 -0.13 4.08 1.01 0.41 -4.78 120.40 124.34 3i2a s VAL 15 Ca 0.71 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 3i2a s VAL 15 Cb -0.69 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3i2a s VAL 15 CO 0.48 0.12 0.12 -1.61 0.00 0.00 0.00 175.10 174.22 3i2a s GLU 16 N 0.33 3.54 0.15 2.72 2.02 -1.26 -3.10 118.70 123.09 3i2a s GLU 16 Ca 0.59 -0.18 -0.31 0.00 0.02 0.00 0.00 54.97 55.09 3i2a s GLU 16 Cb -0.36 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.58 3i2a s GLU 16 CO 0.35 0.67 1.72 1.21 0.02 0.00 0.00 175.26 179.23 3i2a s ASN 17 N -0.73 6.47 0.00 -0.19 2.47 -0.32 -0.50 114.94 122.15 3i2a s ASN 17 Ca 0.13 2.72 0.00 0.00 0.42 0.00 0.00 52.86 56.13 3i2a s ASN 17 Cb -0.12 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3i2a s ASN 17 CO 0.03 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 173.08 3i2a n GLY 18 N 4.02 2.08 3.75 1.21 0.00 0.35 -4.99 105.19 111.60 3i2a n GLY 18 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3i2a n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i2a s GLY 19 N -1.97 1.63 -0.18 -0.02 0.00 0.35 -4.76 107.32 102.36 3i2a s GLY 19 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 3i2a s GLY 19 CO 0.00 0.45 0.04 -0.51 0.00 0.00 0.00 173.10 173.07 3i2a s THR 20 N -2.96 4.52 0.08 0.90 -4.23 -1.26 -2.99 115.64 109.71 3i2a s THR 20 Ca 0.62 -0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3i2a s THR 20 Cb -0.17 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3i2a s THR 20 CO 0.56 0.46 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.73 3i2a s TYR 21 N 0.48 0.81 -0.14 3.99 1.51 0.27 -1.40 117.35 122.88 3i2a s TYR 21 Ca 0.01 -0.85 -0.08 0.00 -1.01 0.00 0.00 57.07 55.14 3i2a s TYR 21 Cb -0.13 -0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 3i2a s TYR 21 CO 0.01 -0.16 0.15 0.71 -1.11 0.00 0.00 175.55 175.15 3i2a s TYR 22 N -3.24 3.56 -0.39 2.71 4.12 0.10 0.30 117.35 124.52 3i2a s TYR 22 Ca 0.07 0.50 -0.14 0.00 0.02 0.00 0.00 57.07 57.52 3i2a s TYR 22 Cb 0.03 -2.01 0.01 0.00 -1.52 0.00 0.00 41.96 38.47 3i2a s TYR 22 CO -0.04 0.62 0.27 -0.51 0.02 0.00 0.00 175.55 175.91 3i2a s LEU 23 N -0.68 4.91 -0.38 -1.29 1.02 -1.26 -1.50 118.68 119.50 3i2a s LEU 23 Ca 0.14 -0.81 -0.07 0.00 0.02 0.00 0.00 54.13 53.41 3i2a s LEU 23 Cb -0.12 -2.13 0.06 0.00 0.02 0.00 0.00 46.19 44.02 3i2a s LEU 23 CO 0.03 -0.39 0.17 -0.76 0.02 0.00 0.00 176.35 175.42 3i2a s LEU 24 N 1.67 4.73 0.15 1.79 1.43 -0.51 -2.50 118.68 125.44 3i2a s LEU 24 Ca 0.05 -1.37 -0.33 0.00 -1.03 0.00 0.00 54.13 51.44 3i2a s LEU 24 Cb -0.19 -1.91 -0.16 0.00 0.03 0.00 0.00 46.19 43.96 3i2a s LEU 24 CO 0.09 -0.43 1.12 -2.65 0.23 0.00 0.00 176.35 174.72 3i2a n PRO 25 N 4.83 0.98 -3.50 1.29 -0.02 -1.26 -1.60 135.00 135.72 3i2a n PRO 25 Ca -0.10 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3i2a n PRO 25 Cb 0.44 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3i2a n PRO 25 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3i2a n HIS 26 N 1.46 3.50 -4.22 6.00 -0.00 0.17 -4.83 115.22 117.30 3i2a n HIS 26 Ca 0.16 -3.95 -0.14 0.00 0.46 0.00 0.00 57.72 54.24 3i2a n HIS 26 Cb 0.23 -0.80 -0.09 0.00 -0.12 0.00 0.00 29.99 29.20 3i2a n HIS 26 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 3i2a s ILE 27 N -2.11 0.00 0.25 3.57 -4.36 -1.26 -4.51 121.20 112.79 3i2a s ILE 27 Ca 0.33 -1.99 0.16 0.00 -0.26 0.00 0.00 60.65 58.89 3i2a s ILE 27 Cb 0.05 -2.50 0.09 0.00 1.25 0.00 0.00 42.46 41.35 3i2a s ILE 27 CO -0.05 0.00 1.74 4.11 0.24 0.00 0.00 174.94 180.98 3i2a h TRP 28 N 2.47 0.00 -3.08 1.37 5.08 -2.01 -3.44 115.95 116.35 3i2a h TRP 28 Ca -0.33 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.12 3i2a h TRP 28 Cb 1.24 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 27.43 3i2a h TRP 28 CO 0.75 0.43 0.73 0.00 -1.28 0.00 0.00 178.44 179.06 3i2a s ALA 29 N -3.76 3.60 0.57 0.11 0.00 -1.26 -4.99 121.76 116.03 3i2a s ALA 29 Ca -0.01 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.91 3i2a s ALA 29 Cb 0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3i2a s ALA 29 CO 0.71 -0.62 1.13 -1.01 0.00 0.00 0.00 175.76 175.98 3i2a s HIS 30 N 0.86 2.63 -3.00 0.00 3.76 -1.26 -4.96 115.29 113.32 3i2a s HIS 30 Ca 0.63 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 57.08 3i2a s HIS 30 Cb -0.38 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.02 3i2a s HIS 30 CO 0.32 -1.66 0.00 0.41 -0.85 0.00 0.00 174.74 172.96 3i2a n GLY 31 N 0.09 -0.91 0.00 -2.22 0.00 -1.26 -5.00 105.19 95.90 3i2a n GLY 31 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3i2a n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2a n GLY 32 N 0.00 6.81 0.44 -0.02 0.00 0.06 -4.16 105.19 108.32 3i2a n GLY 32 Ca 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 3i2a n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i2a n GLY 33 N 3.18 -1.72 3.80 -0.02 0.00 -0.58 -4.19 105.19 105.67 3i2a n GLY 33 Ca 0.00 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3i2a n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2a s ILE 34 N -1.30 4.73 0.00 -0.61 -1.09 -1.04 -0.06 121.20 121.84 3i2a s ILE 34 Ca 0.09 1.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 3i2a s ILE 34 Cb -0.00 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 3i2a s ILE 34 CO 0.06 0.54 0.00 -1.84 -1.23 0.00 0.00 174.94 172.47 3i2a n GLU 35 N 1.81 0.00 -4.17 2.79 0.28 0.60 0.55 120.64 122.50 3i2a n GLU 35 Ca -0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.65 3i2a n GLU 35 Cb 0.51 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.30 3i2a n GLU 35 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3i2a s THR 36 N -2.29 2.31 -0.15 3.84 -4.23 -1.26 -0.79 115.64 113.07 3i2a s THR 36 Ca 0.00 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 3i2a s THR 36 Cb 0.00 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.95 3i2a s THR 36 CO 0.00 -0.01 0.88 0.00 -0.54 0.00 0.00 174.62 174.95 3i2a s ALA 37 N -2.60 -1.88 -0.24 3.99 0.00 -0.35 -4.81 121.76 115.88 3i2a s ALA 37 Ca 0.40 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.79 3i2a s ALA 37 Cb 0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3i2a s ALA 37 CO 0.22 -0.32 0.34 0.21 0.00 0.00 0.00 175.76 176.21 3i2a s LYS 38 N -0.86 4.07 0.15 0.00 2.20 -1.26 -1.89 119.74 122.15 3i2a s LYS 38 Ca -0.04 0.02 0.11 0.00 -0.36 0.00 0.00 55.97 55.70 3i2a s LYS 38 Cb -0.01 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 3i2a s LYS 38 CO 0.03 -0.14 -0.24 0.95 -0.36 0.00 0.00 175.35 175.60 3i2a s THR 39 N 1.65 2.44 0.00 3.43 -4.23 -1.26 -4.96 115.64 112.71 3i2a s THR 39 Ca 0.15 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 3i2a s THR 39 Cb -0.15 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3i2a s THR 39 CO 0.08 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3i2a n GLY 40 N 0.62 1.67 0.31 3.99 0.00 -1.26 -2.65 105.19 107.87 3i2a n GLY 40 Ca -0.15 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3i2a n GLY 40 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3i2a h ASN 41 N 0.00 -1.13 0.00 1.61 -1.24 -2.00 -3.45 115.58 109.36 3i2a h ASN 41 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3i2a h ASN 41 Cb 0.00 0.44 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3i2a h ASN 41 CO 0.00 -0.32 0.00 -0.62 -1.29 0.00 0.00 177.43 175.20 3i2a n GLU 42 N -4.44 0.00 -0.03 6.67 1.02 -1.08 -4.81 120.64 117.96 3i2a n GLU 42 Ca -0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3i2a n GLU 42 Cb 0.25 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.04 3i2a n GLU 42 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3i2a n PRO 43 N 0.00 1.23 -3.61 3.49 -0.04 -1.26 -4.71 135.00 130.09 3i2a n PRO 43 Ca 0.00 -0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.11 3i2a n PRO 43 Cb 0.00 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 3i2a n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i2a s PRO 45 N -2.44 2.07 0.00 0.00 0.02 -1.26 -4.56 135.00 128.83 3i2a s PRO 45 Ca 0.13 0.53 0.10 0.00 0.02 0.00 0.00 61.00 61.77 3i2a s PRO 45 Cb 0.03 -4.75 0.12 0.00 0.02 0.00 0.00 34.50 29.91 3i2a s PRO 45 CO -0.04 -3.72 0.90 1.28 -0.33 0.00 0.00 177.00 175.09 3i2a n LEU 46 N 16.19 2.03 -4.62 -5.54 4.77 -1.20 -4.59 117.00 124.04 3i2a n LEU 46 Ca 0.40 -1.23 -0.36 0.00 -0.03 0.00 0.00 56.01 54.79 3i2a n LEU 46 Cb 0.48 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 3i2a n LEU 46 CO 0.62 0.43 -0.20 -0.89 -1.33 0.00 0.00 177.39 176.02 3i2a s THR 47 N -0.85 5.15 -0.14 -5.08 2.01 -0.80 -0.30 115.64 115.64 3i2a s THR 47 Ca 0.13 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.97 3i2a s THR 47 Cb 0.09 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3i2a s THR 47 CO 0.12 0.35 0.92 -0.69 -0.69 0.00 0.00 174.62 174.63 3i2a s VAL 48 N 1.13 4.83 0.18 3.82 1.01 -0.91 -1.21 120.40 129.26 3i2a s VAL 48 Ca 0.07 1.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.88 3i2a s VAL 48 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3i2a s VAL 48 CO 0.05 0.02 0.10 0.68 0.00 0.00 0.00 175.10 175.95 3i2a s VAL 49 N 2.05 0.11 -0.19 2.92 -7.23 0.03 -1.62 120.40 116.46 3i2a s VAL 49 Ca 0.43 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.50 3i2a s VAL 49 Cb -0.17 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3i2a s VAL 49 CO 0.15 -0.17 0.29 -0.60 -0.31 0.00 0.00 175.10 174.46 3i2a s ARG 50 N -4.10 4.19 0.36 4.82 6.06 -0.15 -0.29 118.95 129.84 3i2a s ARG 50 Ca 0.33 0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 53.32 3i2a s ARG 50 Cb 0.07 -3.48 -0.12 0.00 0.06 0.00 0.00 34.95 31.48 3i2a s ARG 50 CO 0.09 0.12 1.39 0.45 -2.50 0.00 0.00 175.30 174.85 3i2a n SER 51 N 4.00 3.29 0.15 -2.12 2.88 0.92 -4.44 113.62 118.29 3i2a n SER 51 Ca -0.12 1.22 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 3i2a n SER 51 Cb 0.52 -1.55 0.10 0.00 -0.75 0.00 0.00 64.21 62.52 3i2a n SER 51 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i2a h PRO 52 N 2.80 0.00 -6.85 -1.46 0.13 -1.91 0.21 132.00 124.92 3i2a h PRO 52 Ca -0.48 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 3i2a h PRO 52 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 3i2a h PRO 52 CO 0.64 0.00 0.47 1.21 -0.23 0.00 0.00 178.00 180.09 3i2a s ASN 53 N -5.62 7.07 0.05 1.44 3.84 -1.26 -4.48 114.94 115.98 3i2a s ASN 53 Ca 0.03 2.25 0.22 0.00 0.21 0.00 0.00 52.86 55.58 3i2a s ASN 53 Cb 0.08 -2.62 -0.10 0.00 -0.55 0.00 0.00 41.25 38.06 3i2a s ASN 53 CO 0.73 -0.28 0.86 1.21 -2.79 0.00 0.00 177.10 176.83 3i2a n GLU 54 N 0.81 0.42 0.00 0.43 2.13 -1.26 -0.84 120.64 122.34 3i2a n GLU 54 Ca 0.01 -0.04 0.13 0.00 0.66 0.00 0.00 57.16 57.91 3i2a n GLU 54 Cb 0.46 -1.60 0.38 0.00 0.27 0.00 0.00 31.44 30.94 3i2a n GLU 54 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3i2a n VAL 55 N -2.13 0.00 -3.66 6.31 0.24 -1.26 -4.74 118.33 113.09 3i2a n VAL 55 Ca 0.00 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.34 61.92 3i2a n VAL 55 Cb 0.49 0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 3i2a n VAL 55 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i2a s SER 56 N -2.94 6.43 0.00 -1.34 0.15 -1.26 -4.97 113.70 109.78 3i2a s SER 56 Ca 0.14 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.49 3i2a s SER 56 Cb 0.18 -2.14 0.66 0.00 -1.71 0.00 0.00 66.02 63.01 3i2a s SER 56 CO 0.63 0.23 1.49 0.29 1.20 0.00 0.00 173.24 177.09 3i2a n LYS 57 N 2.87 1.78 0.00 5.44 5.02 -1.26 -1.53 118.16 130.48 3i2a n LYS 57 Ca -0.15 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 3i2a n LYS 57 Cb 0.53 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3i2a n LYS 57 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i2a n GLY 58 N 1.14 -1.56 3.81 0.72 0.00 -1.26 -3.81 105.19 104.23 3i2a n GLY 58 Ca 0.16 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 3i2a n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i2a s GLU 59 N 0.00 4.19 0.25 1.61 0.41 0.19 -4.90 118.70 120.45 3i2a s GLU 59 Ca 0.00 0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 54.99 3i2a s GLU 59 Cb 0.00 -3.16 -0.11 0.00 -1.78 0.00 0.00 34.13 29.09 3i2a s GLU 59 CO 0.00 0.59 1.53 -1.25 -0.49 0.00 0.00 175.26 175.64 3i2a s PRO 60 N -1.33 4.20 -0.02 0.39 0.04 -1.26 -4.67 135.00 132.35 3i2a s PRO 60 Ca 0.32 2.42 0.06 0.00 0.04 0.00 0.00 61.00 63.84 3i2a s PRO 60 Cb -0.19 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 3i2a s PRO 60 CO 0.20 -0.54 -0.20 0.42 0.04 0.00 0.00 177.00 176.92 3i2a s ILE 61 N 0.26 1.57 -0.16 0.56 1.01 0.15 -2.38 121.20 122.20 3i2a s ILE 61 Ca 0.63 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 3i2a s ILE 61 Cb -0.45 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3i2a s ILE 61 CO 0.42 0.44 0.29 -0.13 0.00 0.00 0.00 174.94 175.97 3i2a s ARG 62 N -0.37 4.24 -0.33 2.79 0.52 0.21 0.96 118.95 126.96 3i2a s ARG 62 Ca 0.05 0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3i2a s ARG 62 Cb -0.09 -3.42 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3i2a s ARG 62 CO -0.00 0.26 0.15 0.42 0.02 0.00 0.00 175.30 176.15 3i2a s ILE 63 N 0.41 4.36 -0.05 1.52 1.01 -1.16 -2.08 121.20 125.22 3i2a s ILE 63 Ca 0.17 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3i2a s ILE 63 Cb -0.13 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3i2a s ILE 63 CO 0.04 -0.07 -0.13 -0.55 0.00 0.00 0.00 174.94 174.23 3i2a s SER 64 N 1.54 1.78 -0.13 3.58 0.15 -0.36 -0.50 113.70 119.77 3i2a s SER 64 Ca 0.02 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.38 3i2a s SER 64 Cb -0.18 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 3i2a s SER 64 CO 0.05 0.09 -0.13 -0.55 1.20 0.00 0.00 173.24 173.90 3i2a s SER 65 N 0.30 4.04 0.40 5.45 0.15 -1.26 -0.28 113.70 122.50 3i2a s SER 65 Ca -0.08 -0.31 0.07 0.00 0.70 0.00 0.00 55.95 56.33 3i2a s SER 65 Cb -0.12 -1.60 0.82 0.00 -1.71 0.00 0.00 66.02 63.41 3i2a s SER 65 CO 0.02 0.17 2.03 1.55 1.20 0.00 0.00 173.24 178.21 3i2a h PRO 66 N 6.66 0.60 -7.15 5.44 0.13 -2.00 -3.44 132.00 132.25 3i2a h PRO 66 Ca -0.26 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.29 3i2a h PRO 66 Cb 1.21 -0.14 0.15 0.00 0.13 0.00 0.00 31.00 32.35 3i2a h PRO 66 CO 0.56 0.40 0.43 0.71 -0.23 0.00 0.00 178.00 179.87 3i2a s TYR 67 N -5.55 2.14 -1.44 1.56 1.51 -1.26 -4.89 117.35 109.42 3i2a s TYR 67 Ca -0.09 1.56 -0.09 0.00 -1.01 0.00 0.00 57.07 57.44 3i2a s TYR 67 Cb 0.18 -3.51 -0.10 0.00 -0.11 0.00 0.00 41.96 38.42 3i2a s TYR 67 CO 0.74 -2.57 3.01 -2.13 -1.11 0.00 0.00 175.55 173.49 3i2a n ARG 68 N -2.31 3.57 -4.40 -0.62 0.63 -1.26 -4.90 116.66 107.37 3i2a n ARG 68 Ca 0.14 -2.14 -0.30 0.00 -0.92 0.00 0.00 57.85 54.63 3i2a n ARG 68 Cb 0.50 -2.71 -0.11 0.00 0.45 0.00 0.00 32.46 30.59 3i2a n ARG 68 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3i2a s ILE 69 N 1.86 3.22 0.07 5.15 -4.36 -1.26 -5.04 121.20 120.84 3i2a s ILE 69 Ca 0.69 -1.17 -0.13 0.00 -0.26 0.00 0.00 60.65 59.78 3i2a s ILE 69 Cb 0.20 -2.44 -0.28 0.00 1.25 0.00 0.00 42.46 41.19 3i2a s ILE 69 CO -0.06 0.23 1.13 -0.09 0.24 0.00 0.00 174.94 176.40 3i2a h ARG 70 N 4.06 0.58 -6.51 0.37 9.65 -1.95 -3.42 114.38 117.16 3i2a h ARG 70 Ca -0.49 -0.76 -0.64 0.00 -1.10 0.00 0.00 59.98 57.00 3i2a h ARG 70 Cb 1.16 0.25 -0.16 0.00 -1.39 0.00 0.00 29.97 29.83 3i2a h ARG 70 CO 0.51 1.34 -0.76 -0.06 2.80 0.00 0.00 179.97 183.79 3i2a s PHE 71 N -3.00 2.50 -0.38 2.20 2.99 -1.26 -1.17 117.98 119.86 3i2a s PHE 71 Ca -0.09 -0.28 -0.17 0.00 0.00 0.00 0.00 56.93 56.40 3i2a s PHE 71 Cb 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 43.02 41.86 3i2a s PHE 71 CO 0.92 0.51 0.45 0.42 -0.00 0.00 0.00 175.22 177.52 3i2a s ILE 72 N -1.70 5.07 0.43 0.64 -1.09 -1.18 -4.81 121.20 118.57 3i2a s ILE 72 Ca 0.23 0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.46 3i2a s ILE 72 Cb -0.08 -3.96 -0.10 0.00 -1.58 0.00 0.00 42.46 36.73 3i2a s ILE 72 CO 0.13 -0.27 0.98 -2.84 -1.23 0.00 0.00 174.94 171.70 3i2a s PRO 73 N 2.23 4.15 0.77 2.79 0.02 -1.26 -0.69 135.00 143.01 3i2a s PRO 73 Ca 0.15 1.21 -0.12 0.00 0.02 0.00 0.00 61.00 62.25 3i2a s PRO 73 Cb -0.16 -2.22 0.06 0.00 0.02 0.00 0.00 34.50 32.20 3i2a s PRO 73 CO 0.13 -0.11 1.14 1.03 -0.33 0.00 0.00 177.00 178.86 3i2a s ARG 74 N -3.08 2.03 0.00 5.54 0.52 0.13 -2.72 118.95 121.36 3i2a s ARG 74 Ca 0.62 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 3i2a s ARG 74 Cb -0.12 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.50 3i2a s ARG 74 CO 0.16 -1.86 0.00 0.41 0.02 0.00 0.00 175.30 174.03 3i2a n GLY 75 N -0.29 1.01 3.88 -3.53 0.00 -1.20 -4.98 105.19 100.08 3i2a n GLY 75 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3i2a n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i2a s SER 76 N -2.81 6.48 0.37 1.61 1.04 -1.10 -5.01 113.70 114.28 3i2a s SER 76 Ca 0.00 0.56 -0.27 0.00 0.48 0.00 0.00 55.95 56.72 3i2a s SER 76 Cb 0.00 -2.09 -0.09 0.00 0.10 0.00 0.00 66.02 63.93 3i2a s SER 76 CO 0.00 0.33 1.31 -0.76 0.98 0.00 0.00 173.24 175.09 3i2a s LEU 77 N -1.39 4.30 0.06 2.42 1.43 -1.26 -4.60 118.68 119.65 3i2a s LEU 77 Ca 0.22 2.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.95 3i2a s LEU 77 Cb -0.13 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 3i2a s LEU 77 CO 0.11 -0.72 0.07 0.68 0.23 0.00 0.00 176.35 176.73 3i2a s VAL 78 N -1.21 0.17 0.05 -1.59 -7.23 -0.11 -4.69 120.40 105.79 3i2a s VAL 78 Ca 0.53 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3i2a s VAL 78 Cb -0.39 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 3i2a s VAL 78 CO 0.51 -0.78 0.08 0.00 -0.31 0.00 0.00 175.10 174.60 3i2a s ALA 79 N -3.57 3.58 -0.00 1.32 0.00 0.62 -2.33 121.76 121.38 3i2a s ALA 79 Ca 0.03 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3i2a s ALA 79 Cb 0.05 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3i2a s ALA 79 CO -0.09 0.73 -0.20 -0.51 0.00 0.00 0.00 175.76 175.69 3i2a s LEU 80 N -2.12 2.06 0.08 0.00 1.43 -1.26 -1.22 118.68 117.65 3i2a s LEU 80 Ca 0.27 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 3i2a s LEU 80 Cb -0.12 -1.01 0.08 0.00 0.03 0.00 0.00 46.19 45.17 3i2a s LEU 80 CO 0.19 0.23 0.80 -0.83 0.23 0.00 0.00 176.35 176.96 3i2a s GLY 81 N -0.59 -0.46 -0.09 -3.19 0.00 -0.88 -0.57 107.32 101.53 3i2a s GLY 81 Ca 0.08 0.67 -0.23 0.00 0.00 0.00 0.00 44.72 45.24 3i2a s GLY 81 CO -0.00 0.22 0.68 -1.36 0.00 0.00 0.00 173.10 172.64 3i2a s PHE 82 N -3.38 3.54 -1.12 1.90 0.40 -0.67 0.64 117.98 119.29 3i2a s PHE 82 Ca 0.05 1.18 0.14 0.00 -0.60 0.00 0.00 56.93 57.70 3i2a s PHE 82 Cb -0.01 -2.80 0.63 0.00 0.51 0.00 0.00 43.02 41.34 3i2a s PHE 82 CO -0.08 0.04 1.43 0.00 0.70 0.00 0.00 175.22 177.31 3i2a n ALA 83 N 4.02 1.68 -3.02 5.36 0.00 -1.00 -3.58 120.51 123.97 3i2a n ALA 83 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 3i2a n ALA 83 Cb 0.51 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3i2a n ALA 83 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i2a n ASN 84 N -1.44 -1.21 -4.84 0.00 5.15 -1.26 -5.11 115.26 106.55 3i2a n ASN 84 Ca 0.04 -2.91 -0.32 0.00 -0.60 0.00 0.00 54.58 50.80 3i2a n ASN 84 Cb 0.15 0.41 0.01 0.00 -0.53 0.00 0.00 39.78 39.82 3i2a n ASN 84 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i2a s PRO 85 N -0.29 3.53 0.26 1.20 0.04 -1.24 -5.00 135.00 133.51 3i2a s PRO 85 Ca 0.33 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 3i2a s PRO 85 Cb 0.17 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 3i2a s PRO 85 CO -0.17 -0.63 1.34 -2.30 0.04 0.00 0.00 177.00 175.29 3i2a n PRO 86 N -2.39 1.95 0.24 0.56 -0.02 -1.26 -4.81 135.00 129.27 3i2a n PRO 86 Ca 0.07 0.69 0.06 0.00 -2.02 0.00 0.00 63.50 62.30 3i2a n PRO 86 Cb 0.54 -2.30 0.34 0.00 -0.02 0.00 0.00 33.50 32.05 3i2a n PRO 86 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i2a h SER 87 N 3.65 0.00 0.66 2.55 4.64 -1.97 0.28 113.55 123.36 3i2a h SER 87 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3i2a h SER 87 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3i2a h SER 87 CO 0.71 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 176.01 3i2a s ALA 89 N -3.12 3.28 0.10 0.00 0.00 0.98 -4.53 121.76 118.47 3i2a s ALA 89 Ca 0.07 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 3i2a s ALA 89 Cb 0.15 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3i2a s ALA 89 CO 0.73 -0.17 1.63 0.00 0.00 0.00 0.00 175.76 177.96 3i2a h ALA 90 N 5.88 0.33 -2.34 0.00 0.00 -0.64 -3.46 119.26 119.03 3i2a h ALA 90 Ca -0.43 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.00 3i2a h ALA 90 Cb 1.21 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3i2a h ALA 90 CO 0.74 -0.07 -0.60 -1.54 0.00 0.00 0.00 179.25 177.78 3i2a s SER 91 N -5.69 1.24 0.33 0.00 1.04 -1.26 -4.89 113.70 104.47 3i2a s SER 91 Ca -0.13 -1.43 0.26 0.00 0.48 0.00 0.00 55.95 55.12 3i2a s SER 91 Cb 0.08 0.23 0.79 0.00 0.10 0.00 0.00 66.02 67.22 3i2a s SER 91 CO 0.72 -0.78 1.75 1.55 0.98 0.00 0.00 173.24 177.46 3i2a h PRO 92 N 2.35 0.00 -6.69 4.02 0.13 -1.89 -3.43 132.00 126.49 3i2a h PRO 92 Ca -0.37 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.24 3i2a h PRO 92 Cb 1.25 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.42 3i2a h PRO 92 CO 0.58 0.00 0.69 -1.58 -0.23 0.00 0.00 178.00 177.46 3i2a s TRP 93 N -3.24 3.18 0.60 1.56 0.52 -1.26 -1.66 118.94 118.63 3i2a s TRP 93 Ca 0.07 1.15 -0.14 0.00 0.02 0.00 0.00 56.10 57.20 3i2a s TRP 93 Cb 0.09 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 3i2a s TRP 93 CO 0.57 -2.15 1.03 -1.58 0.02 0.00 0.00 176.95 174.84 3i2a s TRP 94 N 0.12 3.30 0.02 -1.98 0.51 0.26 -4.43 118.94 116.74 3i2a s TRP 94 Ca 0.58 1.43 -0.22 0.00 -2.12 0.00 0.00 56.10 55.77 3i2a s TRP 94 Cb -0.38 -2.85 0.05 0.00 -0.81 0.00 0.00 33.47 29.48 3i2a s TRP 94 CO 0.39 -0.82 0.49 -0.08 -0.51 0.00 0.00 176.95 176.42 3i2a s THR 95 N -2.80 0.04 -0.22 2.01 -1.32 -0.11 -4.69 115.64 108.53 3i2a s THR 95 Ca 0.59 -0.29 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 3i2a s THR 95 Cb -0.13 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3i2a s THR 95 CO 0.43 -0.16 0.11 -0.69 -2.21 0.00 0.00 174.62 172.10 3i2a s VAL 96 N -2.01 4.93 -0.03 5.08 1.01 -1.26 -0.66 120.40 127.46 3i2a s VAL 96 Ca -0.08 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3i2a s VAL 96 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3i2a s VAL 96 CO 0.02 0.38 -0.11 0.68 0.00 0.00 0.00 175.10 176.07 3i2a s VAL 97 N 0.95 0.93 0.02 2.92 -7.23 -0.33 -4.91 120.40 112.75 3i2a s VAL 97 Ca 0.05 -0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 3i2a s VAL 97 Cb -0.14 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 3i2a s VAL 97 CO 0.03 0.28 1.79 -1.81 -0.31 0.00 0.00 175.10 175.08 3i2a s ASP 98 N 0.17 6.55 0.42 4.85 -0.00 -1.26 -0.99 116.67 126.41 3i2a s ASP 98 Ca -0.03 2.49 0.07 0.00 -0.00 0.00 0.00 52.55 55.08 3i2a s ASP 98 Cb -0.09 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 3i2a s ASP 98 CO 0.01 -0.97 0.29 -0.94 -0.00 0.00 0.00 175.17 173.55 3i2a s SER 99 N 3.53 4.76 0.61 0.27 1.04 -0.48 -4.86 113.70 118.57 3i2a s SER 99 Ca 0.80 -0.91 0.30 0.00 0.48 0.00 0.00 55.95 56.62 3i2a s SER 99 Cb -0.39 -0.52 1.62 0.00 0.10 0.00 0.00 66.02 66.83 3i2a s SER 99 CO 0.35 -0.61 2.00 -0.65 0.98 0.00 0.00 173.24 175.32 3i2a h PRO 100 N 1.21 0.00 -0.03 4.02 0.11 -2.02 0.78 132.00 136.06 3i2a h PRO 100 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3i2a h PRO 100 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i2a h PRO 100 CO 0.63 0.00 -0.03 1.04 -0.21 0.00 0.00 178.00 179.43 3i2a n GLN 101 N -3.57 2.18 0.00 1.05 6.02 -1.26 -5.08 117.38 116.73 3i2a n GLN 101 Ca 0.03 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 3i2a n GLN 101 Cb 0.45 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3i2a n GLN 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i2a n GLY 102 N 1.33 1.85 3.57 1.08 0.00 0.27 -5.00 105.19 108.29 3i2a n GLY 102 Ca 0.14 -2.14 -0.57 0.00 0.00 0.00 0.00 46.02 43.45 3i2a n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i2a n PRO 103 N -0.25 0.82 -4.37 1.61 -0.02 -1.26 -1.38 135.00 130.16 3i2a n PRO 103 Ca 0.00 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.54 3i2a n PRO 103 Cb 0.00 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 3i2a n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i2a s ALA 104 N 4.93 2.19 -0.30 3.55 0.00 -0.16 -1.30 121.76 130.66 3i2a s ALA 104 Ca 1.06 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 3i2a s ALA 104 Cb -1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3i2a s ALA 104 CO 0.63 0.20 0.62 0.08 0.00 0.00 0.00 175.76 177.29 3i2a s VAL 105 N -2.41 4.95 0.18 0.00 1.01 -0.71 -1.19 120.40 122.23 3i2a s VAL 105 Ca 0.21 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 63.05 3i2a s VAL 105 Cb -0.04 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3i2a s VAL 105 CO 0.08 -0.10 0.14 -0.54 0.00 0.00 0.00 175.10 174.68 3i2a s LYS 106 N 2.57 1.12 0.57 2.72 1.02 0.16 -2.14 119.74 125.77 3i2a s LYS 106 Ca 0.25 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 54.75 3i2a s LYS 106 Cb -0.15 0.28 0.05 0.00 -0.52 0.00 0.00 37.83 37.49 3i2a s LYS 106 CO 0.11 -0.36 0.80 -0.51 -0.92 0.00 0.00 175.35 174.47 3i2a s LEU 107 N -3.09 3.23 0.08 3.17 1.43 0.59 -0.94 118.68 123.15 3i2a s LEU 107 Ca 0.31 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3i2a s LEU 107 Cb 0.06 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3i2a s LEU 107 CO 0.07 -1.24 -0.11 -0.55 0.23 0.00 0.00 176.35 174.75 3i2a s SER 108 N -4.47 1.46 0.00 2.29 0.15 -1.26 -4.92 113.70 106.95 3i2a s SER 108 Ca 0.59 -0.69 0.27 0.00 0.70 0.00 0.00 55.95 56.81 3i2a s SER 108 Cb -0.10 -0.01 0.85 0.00 -1.71 0.00 0.00 66.02 65.06 3i2a s SER 108 CO 0.39 -0.17 1.63 0.00 1.20 0.00 0.00 173.24 176.29 3i2a n GLN 109 N 0.99 1.54 -4.88 5.44 6.02 -1.26 -0.05 117.38 125.18 3i2a n GLN 109 Ca -0.19 -0.97 -0.25 0.00 -0.01 0.00 0.00 57.00 55.57 3i2a n GLN 109 Cb 0.56 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 30.18 3i2a n GLN 109 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i2a s GLN 110 N -2.13 1.49 0.55 -1.09 -1.52 -1.26 -4.21 119.66 111.49 3i2a s GLN 110 Ca 0.33 -0.66 -0.20 0.00 -1.95 0.00 0.00 55.36 52.88 3i2a s GLN 110 Cb 0.20 -1.44 -0.06 0.00 -0.22 0.00 0.00 33.01 31.50 3i2a s GLN 110 CO 0.38 0.39 1.09 1.17 -0.25 0.00 0.00 175.29 178.08 3i2a n LYS 111 N 2.62 1.21 -4.39 2.91 4.81 -1.26 -4.77 118.16 119.29 3i2a n LYS 111 Ca -0.15 0.45 -0.27 0.00 -0.87 0.00 0.00 58.31 57.47 3i2a n LYS 111 Cb 0.54 -2.27 -0.12 0.00 0.02 0.00 0.00 35.03 33.19 3i2a n LYS 111 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i2a s LEU 112 N -2.22 2.38 0.73 3.14 1.43 -1.26 -5.09 118.68 117.79 3i2a s LEU 112 Ca 0.72 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3i2a s LEU 112 Cb -0.44 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 44.67 3i2a s LEU 112 CO 0.49 0.13 1.08 -2.16 0.23 0.00 0.00 176.35 176.12 3i2a s PRO 113 N -2.40 2.64 0.21 1.29 0.04 -1.26 -4.95 135.00 130.57 3i2a s PRO 113 Ca 0.17 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 3i2a s PRO 113 Cb -0.09 -1.97 0.29 0.00 0.04 0.00 0.00 34.50 32.77 3i2a s PRO 113 CO 0.08 -1.25 1.70 1.49 0.04 0.00 0.00 177.00 179.06 3i2a h GLU 114 N -0.82 0.24 0.00 4.56 4.57 -2.01 -1.84 114.58 119.28 3i2a h GLU 114 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3i2a h GLU 114 Cb 1.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3i2a h GLU 114 CO 0.59 0.16 0.04 1.57 -1.18 0.00 0.00 179.01 180.19 3i2a h LYS 115 N 0.25 0.00 0.00 1.92 2.10 -1.93 -1.98 116.57 116.93 3i2a h LYS 115 Ca 0.31 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.88 3i2a h LYS 115 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3i2a h LYS 115 CO -0.40 0.00 -1.07 -0.44 -2.00 0.00 0.00 179.45 175.54 3i2a h ASP 116 N 0.00 0.00 0.04 7.07 3.45 -1.70 -3.39 116.42 121.89 3i2a h ASP 116 Ca 0.00 0.00 -0.37 0.00 0.43 0.00 0.00 57.03 57.09 3i2a h ASP 116 Cb 0.08 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.78 3i2a h ASP 116 CO 0.00 0.30 -2.36 2.30 -1.57 0.00 0.00 179.24 177.91 3i2a n ILE 117 N -2.85 1.45 -1.16 0.35 -5.35 -0.82 -4.62 119.36 106.36 3i2a n ILE 117 Ca -0.04 -0.75 -0.35 0.00 -0.27 0.00 0.00 62.75 61.34 3i2a n ILE 117 Cb 0.69 -0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 37.69 3i2a n ILE 117 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i2a n LEU 118 N -2.97 5.80 -0.09 7.28 4.77 -0.81 -4.36 117.00 126.62 3i2a n LEU 118 Ca -0.36 -3.42 0.04 0.00 -0.03 0.00 0.00 56.01 52.24 3i2a n LEU 118 Cb 1.09 -1.30 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3i2a n LEU 118 CO 0.37 0.71 0.46 1.33 -1.33 0.00 0.00 177.39 178.93 3i2a n VAL 119 N 4.78 1.05 -4.37 4.08 0.24 -1.24 -4.78 118.33 118.09 3i2a n VAL 119 Ca 0.54 -1.19 -0.26 0.00 -2.04 0.00 0.00 64.34 61.39 3i2a n VAL 119 Cb 0.28 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.84 3i2a n VAL 119 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i2a s PHE 120 N -1.41 2.44 -0.24 6.34 0.08 -0.98 -0.67 117.98 123.55 3i2a s PHE 120 Ca 0.12 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 3i2a s PHE 120 Cb 0.10 -1.18 0.06 0.00 -0.57 0.00 0.00 43.02 41.44 3i2a s PHE 120 CO 0.01 0.54 0.62 0.21 -0.10 0.00 0.00 175.22 176.50 3i2a s LYS 121 N -2.90 0.70 -0.10 0.44 2.20 -0.78 -0.93 119.74 118.37 3i2a s LYS 121 Ca 0.24 0.91 -0.14 0.00 -0.36 0.00 0.00 55.97 56.62 3i2a s LYS 121 Cb -0.08 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3i2a s LYS 121 CO 0.13 -0.10 0.33 -0.06 -0.36 0.00 0.00 175.35 175.29 3i2a s PHE 122 N 0.60 3.56 -0.16 4.03 0.08 -1.26 0.48 117.98 125.31 3i2a s PHE 122 Ca -0.02 0.75 0.01 0.00 0.12 0.00 0.00 56.93 57.79 3i2a s PHE 122 Cb -0.05 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.10 3i2a s PHE 122 CO -0.03 0.41 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.32 3i2a s GLU 123 N -0.15 3.09 0.29 0.44 2.12 0.35 -3.23 118.70 121.61 3i2a s GLU 123 Ca 0.20 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 3i2a s GLU 123 Cb -0.14 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.56 3i2a s GLU 123 CO 0.08 -0.08 1.59 0.21 -0.54 0.00 0.00 175.26 176.52 3i2a s LYS 124 N 1.01 4.13 -0.17 4.30 2.20 -1.26 -0.07 119.74 129.87 3i2a s LYS 124 Ca -0.02 2.56 -0.03 0.00 -0.36 0.00 0.00 55.97 58.13 3i2a s LYS 124 Cb -0.15 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3i2a s LYS 124 CO -0.05 -0.63 -0.07 0.08 -0.36 0.00 0.00 175.35 174.32 3i2a s VAL 125 N 0.06 3.40 -0.30 4.02 1.01 0.10 -4.86 120.40 123.82 3i2a s VAL 125 Ca 0.64 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 3i2a s VAL 125 Cb -0.48 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3i2a s VAL 125 CO 0.47 0.47 1.69 -0.55 0.00 0.00 0.00 175.10 177.19 3i2a s SER 126 N 0.82 6.11 0.02 3.32 0.15 -1.26 -4.23 113.70 118.63 3i2a s SER 126 Ca -0.02 1.35 -0.03 0.00 0.70 0.00 0.00 55.95 57.95 3i2a s SER 126 Cb -0.15 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3i2a s SER 126 CO 0.01 -1.53 0.03 -1.00 1.20 0.00 0.00 173.24 171.96 3i2a s HIS 127 N 6.15 0.23 -0.09 3.44 3.76 -1.26 -5.09 115.29 122.43 3i2a s HIS 127 Ca 0.75 -0.51 -0.16 0.00 -0.15 0.00 0.00 55.06 54.99 3i2a s HIS 127 Cb -0.22 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.25 3i2a s HIS 127 CO 0.32 -0.27 0.41 -1.54 -0.85 0.00 0.00 174.74 172.81 3i2a s SER 128 N -1.74 6.66 0.00 1.40 1.04 -1.26 -4.25 113.70 115.55 3i2a s SER 128 Ca -0.11 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.10 3i2a s SER 128 Cb -0.06 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3i2a s SER 128 CO -0.02 0.13 0.00 0.59 0.98 0.00 0.00 173.24 174.92 3i2a n ASN 129 N 3.07 0.00 -4.58 7.02 5.03 -1.26 -4.96 115.26 119.57 3i2a n ASN 129 Ca -0.10 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.09 3i2a n ASN 129 Cb 0.52 -0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.17 3i2a n ASN 129 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3i2a s ILE 130 N -0.52 2.31 -0.26 2.41 -4.36 -1.26 -5.01 121.20 114.50 3i2a s ILE 130 Ca 0.00 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 3i2a s ILE 130 Cb 0.00 -2.75 0.07 0.00 1.25 0.00 0.00 42.46 41.03 3i2a s ILE 130 CO 0.00 -0.17 -0.03 -1.00 0.24 0.00 0.00 174.94 173.98 3i2a s HIS 131 N -2.60 2.74 -0.00 1.37 3.76 -1.26 -4.53 115.29 114.77 3i2a s HIS 131 Ca 0.34 -2.08 0.06 0.00 -0.15 0.00 0.00 55.06 53.22 3i2a s HIS 131 Cb 0.03 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3i2a s HIS 131 CO 0.18 -0.83 -0.17 0.08 -0.85 0.00 0.00 174.74 173.14 3i2a s VAL 132 N 1.27 2.82 0.11 -0.90 1.01 -1.26 -4.53 120.40 118.92 3i2a s VAL 132 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3i2a s VAL 132 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3i2a s VAL 132 CO -0.08 0.46 -0.05 -0.31 0.00 0.00 0.00 175.10 175.12 3i2a s TYR 133 N -0.82 0.93 0.14 5.22 2.02 0.27 -0.72 117.35 124.39 3i2a s TYR 133 Ca 0.13 -0.94 0.06 0.00 -0.37 0.00 0.00 57.07 55.96 3i2a s TYR 133 Cb -0.10 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 3i2a s TYR 133 CO 0.03 -0.17 -0.01 0.15 -1.57 0.00 0.00 175.55 173.98 3i2a s LYS 134 N -3.85 2.43 -0.27 -0.62 1.02 0.90 0.63 119.74 119.97 3i2a s LYS 134 Ca 0.14 -1.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 3i2a s LYS 134 Cb 0.05 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3i2a s LYS 134 CO -0.03 0.49 0.06 -1.17 -0.92 0.00 0.00 175.35 173.77 3i2a s LEU 135 N -2.68 3.57 0.12 3.17 2.96 -1.26 -0.49 118.68 124.07 3i2a s LEU 135 Ca 0.26 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3i2a s LEU 135 Cb -0.10 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 3i2a s LEU 135 CO 0.18 -0.12 0.37 -0.76 -1.32 0.00 0.00 176.35 174.71 3i2a s LEU 136 N 1.53 4.29 -0.06 -0.68 1.43 0.18 -1.01 118.68 124.37 3i2a s LEU 136 Ca 0.04 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 3i2a s LEU 136 Cb -0.16 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 3i2a s LEU 136 CO 0.02 0.09 -0.21 -0.47 0.23 0.00 0.00 176.35 176.01 3i2a s TYR 137 N -1.58 2.52 -0.32 0.29 5.04 0.12 -1.87 117.35 121.56 3i2a s TYR 137 Ca 0.38 -0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3i2a s TYR 137 Cb -0.13 -1.62 0.10 0.00 0.35 0.00 0.00 41.96 40.67 3i2a s TYR 137 CO 0.22 -0.09 0.11 0.00 -1.34 0.00 0.00 175.55 174.46 3i2a n GLN 139 N 4.71 0.44 -3.22 0.00 10.64 -1.26 -4.67 117.38 124.03 3i2a n GLN 139 Ca -0.01 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 54.71 3i2a n GLN 139 Cb 0.41 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.79 3i2a n GLN 139 CO 0.00 0.00 0.00 -3.38 -1.83 0.00 0.00 177.06 171.85 3i2a s HIS 140 N -0.39 3.89 -0.97 2.61 -3.43 -1.26 -4.60 115.29 111.15 3i2a s HIS 140 Ca 0.00 -2.30 -0.07 0.00 -0.80 0.00 0.00 55.06 51.89 3i2a s HIS 140 Cb 0.00 -3.98 -0.10 0.00 -1.43 0.00 0.00 32.58 27.07 3i2a s HIS 140 CO 0.00 -1.10 2.64 -3.47 -2.00 0.00 0.00 174.74 170.81 3i2a n ASP 141 N 3.96 6.21 0.00 7.38 2.03 -1.26 -4.83 116.55 130.04 3i2a n ASP 141 Ca 0.24 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 53.15 3i2a n ASP 141 Cb 0.43 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 3i2a n ASP 141 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3i2a n GLU 142 N 3.58 0.00 -0.12 -0.67 2.13 -1.26 -3.39 120.64 120.91 3i2a n GLU 142 Ca 0.55 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.19 3i2a n GLU 142 Cb 0.31 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.91 3i2a n GLU 142 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3i2a n GLU 143 N 0.00 0.61 0.00 5.31 4.07 -1.26 -4.97 120.64 124.40 3i2a n GLU 143 Ca 0.00 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3i2a n GLU 143 Cb 0.00 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 3i2a n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3i2a n ASP 144 N -3.29 -0.09 -4.25 4.31 5.68 -1.22 -5.07 116.55 112.62 3i2a n ASP 144 Ca -0.44 -0.03 -0.15 0.00 -0.50 0.00 0.00 54.79 53.67 3i2a n ASP 144 Cb 0.96 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.84 3i2a n ASP 144 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3i2a s VAL 145 N -0.07 1.21 -0.35 2.12 1.01 -1.26 -4.40 120.40 118.66 3i2a s VAL 145 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.02 3i2a s VAL 145 Cb 0.00 -1.79 0.17 0.00 0.00 0.00 0.00 36.38 34.76 3i2a s VAL 145 CO 0.00 -0.69 0.48 -0.75 0.00 0.00 0.00 175.10 174.14 3i2a s LYS 146 N -3.55 0.61 -0.51 2.72 2.47 -1.26 -4.93 119.74 115.29 3i2a s LYS 146 Ca 0.15 -0.25 -0.17 0.00 -1.56 0.00 0.00 55.97 54.15 3i2a s LYS 146 Cb 0.01 -0.28 0.09 0.00 -1.46 0.00 0.00 37.83 36.20 3i2a s LYS 146 CO 0.01 -1.13 0.50 0.00 0.16 0.00 0.00 175.35 174.89 3i2a n ASP 148 N 5.50 0.10 -4.27 0.00 3.85 -1.25 -5.00 116.55 115.48 3i2a n ASP 148 Ca -0.12 -1.01 -0.27 0.00 -0.71 0.00 0.00 54.79 52.68 3i2a n ASP 148 Cb 0.43 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 40.05 3i2a n ASP 148 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i2a s GLN 149 N -0.01 1.58 0.36 0.11 -0.21 -1.23 -5.04 119.66 115.23 3i2a s GLN 149 Ca 0.00 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 54.51 3i2a s GLN 149 Cb 0.00 -1.67 -0.04 0.00 1.00 0.00 0.00 33.01 32.30 3i2a s GLN 149 CO 0.00 0.44 0.21 0.71 -2.12 0.00 0.00 175.29 174.52 3i2a s TYR 150 N -0.73 2.73 -0.17 0.91 1.51 -1.03 0.15 117.35 120.71 3i2a s TYR 150 Ca 0.09 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 3i2a s TYR 150 Cb -0.09 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.92 3i2a s TYR 150 CO 0.01 0.22 0.14 0.42 -1.11 0.00 0.00 175.55 175.24 3i2a s ILE 151 N -2.44 5.43 0.00 2.71 -1.09 -0.18 0.35 121.20 125.99 3i2a s ILE 151 Ca 0.40 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 3i2a s ILE 151 Cb -0.02 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 3i2a s ILE 151 CO 0.24 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 3i2a n GLY 152 N 3.09 4.47 3.25 6.18 0.00 0.26 -1.52 105.19 120.91 3i2a n GLY 152 Ca -0.17 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 3i2a n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i2a s ILE 153 N -1.37 2.19 -0.31 -0.61 1.01 -1.26 -0.41 121.20 120.45 3i2a s ILE 153 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3i2a s ILE 153 Cb 0.00 -1.84 0.09 0.00 0.01 0.00 0.00 42.46 40.72 3i2a s ILE 153 CO 0.00 0.56 0.04 -2.28 0.00 0.00 0.00 174.94 173.26 3i2a s HIS 154 N 0.26 2.82 0.23 3.97 2.46 0.14 -4.94 115.29 120.24 3i2a s HIS 154 Ca -0.16 -2.33 -0.31 0.00 0.47 0.00 0.00 55.06 52.73 3i2a s HIS 154 Cb -0.17 -2.24 -0.11 0.00 -0.13 0.00 0.00 32.58 29.93 3i2a s HIS 154 CO 0.08 -0.89 1.57 0.50 -2.47 0.00 0.00 174.74 173.53 3i2a s ARG 155 N 1.23 4.18 0.57 2.88 6.06 -1.26 -2.55 118.95 130.06 3i2a s ARG 155 Ca 0.07 2.45 0.08 0.00 -2.50 0.00 0.00 55.73 55.83 3i2a s ARG 155 Cb -0.18 -3.09 0.07 0.00 0.06 0.00 0.00 34.95 31.80 3i2a s ARG 155 CO -0.13 -0.59 0.61 0.16 -2.50 0.00 0.00 175.30 172.84 3i2a s ASP 156 N 0.77 4.85 0.30 -2.12 3.84 -0.68 -4.93 116.67 118.70 3i2a s ASP 156 Ca 0.66 -1.07 0.03 0.00 -0.00 0.00 0.00 52.55 52.17 3i2a s ASP 156 Cb -0.46 0.41 0.76 0.00 -1.38 0.00 0.00 42.92 42.26 3i2a s ASP 156 CO 0.39 -1.25 1.61 0.03 -0.00 0.00 0.00 175.17 175.95 3i2a h ARG 157 N 0.44 0.09 -0.00 2.11 -0.00 -1.94 0.53 114.38 115.61 3i2a h ARG 157 Ca -0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 3i2a h ARG 157 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.25 3i2a h ARG 157 CO 0.49 0.06 -0.16 0.09 0.00 0.00 0.00 179.97 180.44 3i2a n ASN 158 N -5.35 0.20 0.00 7.04 5.03 -1.26 -4.90 115.26 116.02 3i2a n ASN 158 Ca 0.23 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.82 3i2a n ASN 158 Cb 0.75 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3i2a n ASN 158 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i2a n GLY 159 N 1.47 0.94 3.64 7.41 0.00 0.19 -5.04 105.19 113.80 3i2a n GLY 159 Ca 0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3i2a n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i2a s ASN 160 N -2.05 6.78 -1.29 1.61 0.01 -1.26 -4.72 114.94 114.02 3i2a s ASN 160 Ca 0.00 1.32 -0.17 0.00 -0.71 0.00 0.00 52.86 53.30 3i2a s ASN 160 Cb 0.00 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.20 3i2a s ASN 160 CO 0.00 -0.96 1.71 0.54 -1.51 0.00 0.00 177.10 176.88 3i2a n ARG 161 N 7.05 3.22 -2.38 -0.60 1.74 -1.26 -1.69 116.66 122.74 3i2a n ARG 161 Ca 0.14 -3.34 -0.41 0.00 -0.77 0.00 0.00 57.85 53.47 3i2a n ARG 161 Cb 0.46 -3.45 -0.04 0.00 -1.02 0.00 0.00 32.46 28.42 3i2a n ARG 161 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i2a s ARG 162 N 3.92 4.54 -0.10 5.56 0.52 -1.06 -0.98 118.95 131.35 3i2a s ARG 162 Ca 0.53 1.90 -0.26 0.00 -0.52 0.00 0.00 55.73 57.38 3i2a s ARG 162 Cb 0.03 -3.18 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3i2a s ARG 162 CO 0.07 0.05 0.85 -0.51 0.02 0.00 0.00 175.30 175.78 3i2a s LEU 163 N -1.14 4.26 0.21 2.53 1.02 -0.64 0.26 118.68 125.17 3i2a s LEU 163 Ca 0.48 1.32 -0.01 0.00 0.02 0.00 0.00 54.13 55.94 3i2a s LEU 163 Cb -0.34 -3.30 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 3i2a s LEU 163 CO 0.42 -0.31 0.13 0.68 0.02 0.00 0.00 176.35 177.29 3i2a s VAL 164 N 1.57 0.05 0.03 -1.59 -7.23 0.46 -1.73 120.40 111.95 3i2a s VAL 164 Ca 0.42 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 3i2a s VAL 164 Cb -0.18 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3i2a s VAL 164 CO 0.17 0.00 0.98 -0.69 -0.31 0.00 0.00 175.10 175.25 3i2a s VAL 165 N -4.11 4.75 0.05 1.32 1.01 -0.42 0.91 120.40 123.91 3i2a s VAL 165 Ca 0.39 2.05 0.05 0.00 0.00 0.00 0.00 61.98 64.47 3i2a s VAL 165 Cb 0.07 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3i2a s VAL 165 CO 0.13 0.20 -0.13 0.28 0.00 0.00 0.00 175.10 175.58 3i2a s THR 166 N 0.73 1.04 -0.33 3.92 -1.32 0.16 -4.78 115.64 115.05 3i2a s THR 166 Ca 0.51 -1.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.08 3i2a s THR 166 Cb -0.22 -0.96 -0.19 0.00 -1.51 0.00 0.00 72.50 69.61 3i2a s THR 166 CO 0.29 -0.08 0.46 -0.62 -2.21 0.00 0.00 174.62 172.46 3i2a n GLU 167 N 1.76 1.33 -0.02 7.08 -0.58 -1.26 -2.45 120.64 126.50 3i2a n GLU 167 Ca -0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 57.16 56.46 3i2a n GLU 167 Cb 0.55 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 30.13 3i2a n GLU 167 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i2a n GLU 168 N -1.69 2.68 -3.58 3.49 4.07 -1.26 -4.94 120.64 119.41 3i2a n GLU 168 Ca -0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 3i2a n GLU 168 Cb 0.31 -1.08 -0.10 0.00 -0.06 0.00 0.00 31.44 30.51 3i2a n GLU 168 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3i2a n ASN 169 N -2.24 2.44 -4.78 4.31 5.15 -1.26 -5.10 115.26 113.78 3i2a n ASN 169 Ca -0.06 -3.11 -0.36 0.00 -0.60 0.00 0.00 54.58 50.45 3i2a n ASN 169 Cb 0.60 -0.68 -0.01 0.00 -0.53 0.00 0.00 39.78 39.15 3i2a n ASN 169 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i2a s PRO 170 N -1.57 3.70 0.67 1.20 0.04 -1.26 -4.45 135.00 133.32 3i2a s PRO 170 Ca 0.32 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 3i2a s PRO 170 Cb 0.06 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 3i2a s PRO 170 CO -0.11 -0.57 1.06 -0.51 0.04 0.00 0.00 177.00 176.91 3i2a s LEU 171 N -3.27 3.24 0.05 -3.56 1.43 -0.58 -4.96 118.68 111.03 3i2a s LEU 171 Ca 0.66 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 55.52 3i2a s LEU 171 Cb -0.25 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.44 3i2a s LEU 171 CO 0.29 -1.37 -0.22 -1.61 0.23 0.00 0.00 176.35 173.67 3i2a s GLU 172 N -4.74 1.45 0.05 1.70 2.02 -1.26 -4.24 118.70 113.68 3i2a s GLU 172 Ca 0.60 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 3i2a s GLU 172 Cb -0.15 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 3i2a s GLU 172 CO 0.49 0.41 -0.01 -0.51 0.02 0.00 0.00 175.26 175.66 3i2a s LEU 173 N -1.25 2.39 0.16 1.80 1.43 0.20 0.41 118.68 123.83 3i2a s LEU 173 Ca 0.08 -0.95 0.08 0.00 -1.03 0.00 0.00 54.13 52.31 3i2a s LEU 173 Cb -0.09 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 3i2a s LEU 173 CO 0.02 -0.60 -0.18 0.68 0.23 0.00 0.00 176.35 176.50 3i2a s VAL 174 N -3.83 1.78 -0.15 -1.59 -7.23 -0.63 -0.57 120.40 108.18 3i2a s VAL 174 Ca 0.06 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3i2a s VAL 174 Cb 0.07 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3i2a s VAL 174 CO -0.10 -0.34 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.50 3i2a s LEU 175 N -2.70 2.91 -0.16 1.32 1.43 -1.26 -1.42 118.68 118.81 3i2a s LEU 175 Ca 0.16 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3i2a s LEU 175 Cb -0.05 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3i2a s LEU 175 CO 0.06 0.14 -0.16 -0.22 0.23 0.00 0.00 176.35 176.41 3i2a s LEU 176 N 0.50 2.43 0.05 1.79 2.96 -0.56 0.12 118.68 125.96 3i2a s LEU 176 Ca -0.07 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 3i2a s LEU 176 Cb -0.15 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.90 3i2a s LEU 176 CO 0.04 0.07 1.80 -0.75 -1.32 0.00 0.00 176.35 176.18 3i2a s LYS 177 N 0.88 4.16 -0.23 1.98 2.47 -1.26 0.02 119.74 127.77 3i2a s LYS 177 Ca -0.04 2.46 -0.26 0.00 -1.56 0.00 0.00 55.97 56.57 3i2a s LYS 177 Cb -0.15 -3.86 -0.00 0.00 -1.46 0.00 0.00 37.83 32.36 3i2a s LYS 177 CO -0.01 -0.85 0.89 0.00 0.16 0.00 0.00 175.35 175.53 3i2a s ALA 178 N 3.53 3.64 -2.00 3.13 0.00 -0.50 -4.84 121.76 124.73 3i2a s ALA 178 Ca 0.80 -0.03 0.30 0.00 0.00 0.00 0.00 51.96 53.03 3i2a s ALA 178 Cb -0.41 -3.35 1.78 0.00 0.00 0.00 0.00 23.12 21.14 3i2a s ALA 178 CO 0.36 -0.93 2.11 1.63 0.00 0.00 0.00 175.76 178.93