#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2m s VAL 9 N 0.00 4.61 -0.00 1.69 1.01 -1.26 -5.03 120.40 121.42 1i2m s VAL 9 Ca 0.00 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1i2m s VAL 9 Cb 0.00 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1i2m s VAL 9 CO 0.00 -0.31 -0.09 -1.58 0.00 0.00 0.00 175.10 173.12 1i2m s GLN 10 N 3.38 0.71 -0.01 2.72 0.74 -1.26 -1.37 119.66 124.58 1i2m s GLN 10 Ca 0.44 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.49 1i2m s GLN 10 Cb -0.14 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.30 1i2m s GLN 10 CO 0.10 0.18 -0.03 -0.06 -0.55 0.00 0.00 175.29 174.94 1i2m s PHE 11 N -0.31 0.30 -0.22 1.67 0.08 -0.12 -4.97 117.98 114.41 1i2m s PHE 11 Ca 0.03 -0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.80 1i2m s PHE 11 Cb -0.04 -0.24 -0.01 0.00 -0.57 0.00 0.00 43.02 42.16 1i2m s PHE 11 CO -0.00 -0.03 0.77 0.21 -0.10 0.00 0.00 175.22 176.07 1i2m s LYS 12 N 0.17 4.21 -0.16 0.44 2.20 -1.26 0.26 119.74 125.60 1i2m s LYS 12 Ca -0.01 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1i2m s LYS 12 Cb -0.04 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1i2m s LYS 12 CO -0.00 -0.41 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.24 1i2m s LEU 13 N 2.48 2.40 -0.22 5.43 0.20 -0.19 -1.37 118.68 127.42 1i2m s LEU 13 Ca 0.33 -0.51 -0.15 0.00 0.69 0.00 0.00 54.13 54.50 1i2m s LEU 13 Cb -0.16 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1i2m s LEU 13 CO 0.09 0.07 0.37 -0.69 -0.29 0.00 0.00 176.35 175.90 1i2m s VAL 14 N 0.90 5.21 -0.27 1.68 1.01 -0.82 -0.35 120.40 127.77 1i2m s VAL 14 Ca -0.04 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1i2m s VAL 14 Cb -0.15 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1i2m s VAL 14 CO -0.02 0.25 0.07 -0.22 0.00 0.00 0.00 175.10 175.18 1i2m s LEU 15 N 1.39 3.60 0.12 3.92 2.96 -0.11 -0.93 118.68 129.63 1i2m s LEU 15 Ca 0.17 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1i2m s LEU 15 Cb -0.15 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1i2m s LEU 15 CO 0.08 -0.11 -0.17 0.68 -1.32 0.00 0.00 176.35 175.51 1i2m s VAL 16 N 1.56 1.51 0.00 1.68 -7.23 -0.65 -2.54 120.40 114.73 1i2m s VAL 16 Ca 0.05 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1i2m s VAL 16 Cb -0.16 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.22 1i2m s VAL 16 CO 0.03 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1i2m n GLY 17 N 0.70 2.36 3.71 2.32 0.00 -1.26 -0.54 105.19 112.48 1i2m n GLY 17 Ca -0.17 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1i2m n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i2m s ASP 18 N 0.00 3.67 0.48 1.61 1.11 -1.26 -4.49 116.67 117.80 1i2m s ASP 18 Ca 0.00 2.12 -0.22 0.00 0.18 0.00 0.00 52.55 54.62 1i2m s ASP 18 Cb 0.00 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 41.36 1i2m s ASP 18 CO 0.00 -2.60 1.21 -0.83 1.18 0.00 0.00 175.17 174.13 1i2m s GLY 19 N -2.73 2.80 -0.12 0.21 0.00 -1.26 -3.06 107.32 103.15 1i2m s GLY 19 Ca 0.67 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1i2m s GLY 19 CO 0.54 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.74 1i2m n GLY 20 N 0.50 0.50 1.13 0.20 0.00 -1.26 -4.91 105.19 101.35 1i2m n GLY 20 Ca 0.08 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1i2m n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i2m n THR 21 N -2.94 0.60 -0.64 2.61 -2.24 -1.17 -4.93 114.28 105.57 1i2m n THR 21 Ca -0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1i2m n THR 21 Cb 0.05 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1i2m n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i2m n GLY 22 N 1.50 0.62 0.16 3.38 0.00 -1.26 -4.66 105.19 104.93 1i2m n GLY 22 Ca 0.20 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1i2m n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i2m h LYS 23 N 0.47 0.48 0.17 1.61 1.57 -1.92 -0.20 116.57 118.75 1i2m h LYS 23 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1i2m h LYS 23 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1i2m h LYS 23 CO 0.00 0.33 -0.08 1.15 -0.57 0.00 0.00 179.45 180.28 1i2m h THR 24 N 0.49 0.90 -0.81 -0.16 2.02 -1.99 -2.22 112.91 111.13 1i2m h THR 24 Ca 0.13 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1i2m h THR 24 Cb -0.04 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1i2m h THR 24 CO -0.03 0.07 0.49 0.74 0.37 0.00 0.00 175.52 177.15 1i2m h THR 25 N -0.35 0.99 -0.18 3.16 2.02 -1.97 -0.05 112.91 116.53 1i2m h THR 25 Ca -0.02 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1i2m h THR 25 Cb 0.28 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 1i2m h THR 25 CO 0.04 0.16 -0.11 0.15 0.37 0.00 0.00 175.52 176.12 1i2m h PHE 26 N 0.87 -0.28 0.04 3.16 3.57 -0.80 -2.31 116.94 121.18 1i2m h PHE 26 Ca 0.36 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 1i2m h PHE 26 Cb 0.22 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1i2m h PHE 26 CO -0.05 -0.17 -0.02 0.28 -2.23 0.00 0.00 178.31 176.12 1i2m h VAL 27 N -0.11 1.18 -0.89 1.41 2.07 -0.83 -3.20 116.25 115.89 1i2m h VAL 27 Ca 0.11 -0.71 0.24 0.00 0.82 0.00 0.00 66.70 67.16 1i2m h VAL 27 Cb 0.27 1.65 -0.15 0.00 -1.52 0.00 0.00 31.29 31.54 1i2m h VAL 27 CO -0.25 0.18 0.21 0.11 0.02 0.00 0.00 177.57 177.84 1i2m h LYS 28 N -0.36 0.16 0.00 1.57 1.57 -0.83 0.13 116.57 118.82 1i2m h LYS 28 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1i2m h LYS 28 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1i2m h LYS 28 CO 0.01 0.11 0.00 0.54 -0.57 0.00 0.00 179.45 179.54 1i2m n ARG 29 N -5.27 0.03 -0.36 3.15 1.74 -0.89 -1.98 116.66 113.08 1i2m n ARG 29 Ca 0.22 0.31 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 1i2m n ARG 29 Cb 0.70 -1.55 0.27 0.00 -1.02 0.00 0.00 32.46 30.86 1i2m n ARG 29 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1i2m n HIS 30 N -1.60 0.92 -2.78 -1.55 8.25 0.46 -5.13 115.22 113.77 1i2m n HIS 30 Ca 0.03 -0.55 -0.21 0.00 -0.26 0.00 0.00 57.72 56.73 1i2m n HIS 30 Cb 0.15 -0.08 0.06 0.00 1.12 0.00 0.00 29.99 31.24 1i2m n HIS 30 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1i2m s LEU 31 N -1.29 3.23 0.00 2.41 1.43 -0.84 -4.80 118.68 118.82 1i2m s LEU 31 Ca 0.41 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1i2m s LEU 31 Cb 0.23 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1i2m s LEU 31 CO 0.24 -1.31 0.00 0.29 0.23 0.00 0.00 176.35 175.81 1i2m n LYS 37 N -2.36 3.99 -1.53 1.70 5.02 -1.26 -5.07 118.16 118.65 1i2m n LYS 37 Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1i2m n LYS 37 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.67 1i2m n LYS 37 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1i2m s LYS 38 N 1.05 2.75 0.14 1.97 -2.85 -1.26 -4.59 119.74 116.94 1i2m s LYS 38 Ca 0.00 1.08 -0.13 0.00 -1.00 0.00 0.00 55.97 55.92 1i2m s LYS 38 Cb 0.00 -1.96 0.01 0.00 -2.06 0.00 0.00 37.83 33.82 1i2m s LYS 38 CO 0.00 -1.26 0.34 1.52 0.10 0.00 0.00 175.35 176.06 1i2m s TYR 39 N -2.89 0.04 -0.24 1.78 -0.85 -0.56 -4.96 117.35 109.67 1i2m s TYR 39 Ca 0.60 -0.40 -0.12 0.00 -0.52 0.00 0.00 57.07 56.63 1i2m s TYR 39 Cb -0.16 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.27 1i2m s TYR 39 CO 0.52 -0.70 0.22 0.08 -1.52 0.00 0.00 175.55 174.15 1i2m s VAL 40 N -3.87 5.31 -0.94 -3.49 1.01 -1.26 -0.29 120.40 116.88 1i2m s VAL 40 Ca 0.08 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.50 1i2m s VAL 40 Cb 0.02 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 1i2m s VAL 40 CO -0.07 0.30 0.72 0.00 0.00 0.00 0.00 175.10 176.05 1i2m n ALA 41 N 4.52 3.84 -3.96 5.51 0.00 -1.25 -5.00 120.51 124.16 1i2m n ALA 41 Ca -0.13 -0.47 0.04 0.00 0.00 0.00 0.00 53.44 52.87 1i2m n ALA 41 Cb 0.52 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 19.40 1i2m n ALA 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1i2m s THR 42 N -2.34 0.00 0.06 0.00 -1.32 -1.26 -5.11 115.64 105.67 1i2m s THR 42 Ca 0.08 -0.09 -0.34 0.00 -1.21 0.00 0.00 61.69 60.13 1i2m s THR 42 Cb 0.12 -2.86 -0.13 0.00 -1.51 0.00 0.00 72.50 68.12 1i2m s THR 42 CO 0.59 0.00 1.72 0.18 -2.21 0.00 0.00 174.62 174.90 1i2m n LEU 43 N -0.89 3.33 -0.51 9.08 7.99 -1.26 -2.96 117.00 131.77 1i2m n LEU 43 Ca 0.03 1.03 -0.06 0.00 -0.01 0.00 0.00 56.01 57.00 1i2m n LEU 43 Cb 0.59 -1.42 -0.03 0.00 -0.11 0.00 0.00 43.42 42.45 1i2m n LEU 43 CO 0.14 -0.15 -0.06 0.61 -1.51 0.00 0.00 177.39 176.42 1i2m n GLY 44 N 3.88 0.62 2.88 -0.72 0.00 -1.26 -4.95 105.19 105.63 1i2m n GLY 44 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1i2m n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i2m s VAL 45 N -1.51 1.06 0.12 1.61 1.01 -1.15 -4.80 120.40 116.73 1i2m s VAL 45 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1i2m s VAL 45 Cb 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 1i2m s VAL 45 CO 0.00 0.16 0.47 -1.61 0.00 0.00 0.00 175.10 174.12 1i2m s GLU 46 N 1.66 3.85 -0.12 2.72 2.02 -1.26 -3.83 118.70 123.74 1i2m s GLU 46 Ca 0.01 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.31 1i2m s GLU 46 Cb -0.15 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1i2m s GLU 46 CO -0.08 0.51 -0.13 0.08 0.02 0.00 0.00 175.26 175.66 1i2m s VAL 47 N -1.45 3.05 -0.26 2.63 1.01 0.60 -2.26 120.40 123.71 1i2m s VAL 47 Ca 0.36 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1i2m s VAL 47 Cb -0.14 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1i2m s VAL 47 CO 0.19 0.53 -0.08 -1.00 0.00 0.00 0.00 175.10 174.74 1i2m s HIS 48 N 0.23 3.20 0.02 5.22 3.76 -0.01 -1.50 115.29 126.22 1i2m s HIS 48 Ca -0.09 -2.06 -0.30 0.00 -0.15 0.00 0.00 55.06 52.46 1i2m s HIS 48 Cb -0.15 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 1i2m s HIS 48 CO 0.05 -0.84 1.16 -1.25 -0.85 0.00 0.00 174.74 173.02 1i2m s PRO 49 N 1.18 4.43 -0.14 8.40 0.04 -1.26 -1.71 135.00 145.94 1i2m s PRO 49 Ca -0.06 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1i2m s PRO 49 Cb -0.19 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1i2m s PRO 49 CO -0.05 -0.27 -0.20 -0.51 0.04 0.00 0.00 177.00 176.01 1i2m s LEU 50 N 1.35 2.04 -0.18 -3.56 1.43 0.12 -4.95 118.68 114.92 1i2m s LEU 50 Ca 0.57 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1i2m s LEU 50 Cb -0.27 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1i2m s LEU 50 CO 0.27 0.05 0.03 -0.69 0.23 0.00 0.00 176.35 176.24 1i2m s VAL 51 N 0.97 4.43 -0.11 -1.59 1.01 -1.26 0.37 120.40 124.22 1i2m s VAL 51 Ca -0.04 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1i2m s VAL 51 Cb -0.15 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1i2m s VAL 51 CO -0.04 0.46 -0.18 -0.36 0.00 0.00 0.00 175.10 174.98 1i2m s PHE 52 N 0.50 2.69 0.02 5.22 0.40 0.65 -4.96 117.98 122.49 1i2m s PHE 52 Ca 0.01 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.41 1i2m s PHE 52 Cb -0.13 -1.76 -0.06 0.00 0.51 0.00 0.00 43.02 41.58 1i2m s PHE 52 CO 0.02 -0.25 0.52 -1.01 0.70 0.00 0.00 175.22 175.20 1i2m s HIS 53 N 0.21 3.74 0.32 0.36 3.76 -1.26 -0.98 115.29 121.44 1i2m s HIS 53 Ca -0.11 1.15 0.07 0.00 -0.15 0.00 0.00 55.06 56.01 1i2m s HIS 53 Cb -0.16 -2.46 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1i2m s HIS 53 CO 0.06 0.53 0.26 0.95 -0.85 0.00 0.00 174.74 175.70 1i2m s THR 54 N -0.81 0.02 -2.00 1.30 -4.23 -1.18 -1.04 115.64 107.69 1i2m s THR 54 Ca 0.27 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1i2m s THR 54 Cb -0.18 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1i2m s THR 54 CO 0.16 0.00 1.36 -0.46 -0.54 0.00 0.00 174.62 175.14 1i2m n ASN 55 N -1.45 0.00 -0.01 3.99 6.94 -0.77 -2.49 115.26 121.47 1i2m n ASN 55 Ca 0.07 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.07 1i2m n ASN 55 Cb 0.63 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 1i2m n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1i2m n ARG 56 N -0.67 2.03 0.00 -3.83 3.00 -1.26 -5.00 116.66 110.93 1i2m n ARG 56 Ca 0.08 -1.21 0.00 0.00 -0.01 0.00 0.00 57.85 56.71 1i2m n ARG 56 Cb 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 32.46 31.64 1i2m n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1i2m n GLY 57 N -0.36 1.67 3.77 -0.13 0.00 -1.04 -5.01 105.19 104.09 1i2m n GLY 57 Ca 0.00 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 1i2m n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i2m s PRO 58 N -2.01 3.97 -0.07 1.61 0.04 -1.26 -3.13 135.00 134.14 1i2m s PRO 58 Ca 0.00 1.94 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1i2m s PRO 58 Cb 0.00 -2.66 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1i2m s PRO 58 CO 0.00 -0.42 -0.09 0.42 0.04 0.00 0.00 177.00 176.95 1i2m s ILE 59 N -1.37 0.98 -0.14 0.56 1.01 -0.16 -4.24 121.20 117.84 1i2m s ILE 59 Ca 0.58 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1i2m s ILE 59 Cb -0.33 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1i2m s ILE 59 CO 0.42 0.33 -0.06 -0.75 0.00 0.00 0.00 174.94 174.88 1i2m s LYS 60 N 1.02 3.47 -0.21 2.79 2.20 -0.47 -0.25 119.74 128.29 1i2m s LYS 60 Ca -0.08 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1i2m s LYS 60 Cb -0.15 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1i2m s LYS 60 CO -0.00 0.31 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.21 1i2m s PHE 61 N 0.16 2.99 -0.62 4.03 0.08 0.16 -0.94 117.98 123.84 1i2m s PHE 61 Ca -0.03 -0.65 -0.18 0.00 0.12 0.00 0.00 56.93 56.19 1i2m s PHE 61 Cb -0.14 -2.08 0.12 0.00 -0.57 0.00 0.00 43.02 40.35 1i2m s PHE 61 CO 0.03 -0.36 0.69 -0.80 -0.10 0.00 0.00 175.22 174.68 1i2m s ASN 62 N 1.17 6.27 -0.35 1.36 0.02 0.14 0.11 114.94 123.66 1i2m s ASN 62 Ca 0.02 -1.67 -0.27 0.00 -1.02 0.00 0.00 52.86 49.93 1i2m s ASN 62 Cb -0.15 -2.28 0.01 0.00 0.02 0.00 0.00 41.25 38.86 1i2m s ASN 62 CO 0.00 -1.01 0.96 -0.69 0.02 0.00 0.00 177.10 176.39 1i2m s VAL 63 N 2.21 4.58 -0.39 1.60 1.01 -0.69 -1.02 120.40 127.70 1i2m s VAL 63 Ca 0.11 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 1i2m s VAL 63 Cb -0.23 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.82 1i2m s VAL 63 CO 0.03 -0.49 0.58 0.26 0.00 0.00 0.00 175.10 175.48 1i2m s TRP 64 N 3.48 3.13 -0.98 5.22 0.52 0.53 -0.83 118.94 130.01 1i2m s TRP 64 Ca 0.40 0.08 -0.17 0.00 0.02 0.00 0.00 56.10 56.43 1i2m s TRP 64 Cb -0.12 -3.12 0.15 0.00 -1.15 0.00 0.00 33.47 29.23 1i2m s TRP 64 CO 0.17 -0.69 1.15 0.34 0.02 0.00 0.00 176.95 177.94 1i2m s ASP 65 N 1.86 6.75 0.57 2.95 2.15 -0.96 -0.94 116.67 129.06 1i2m s ASP 65 Ca 0.21 -2.34 0.30 0.00 0.43 0.00 0.00 52.55 51.14 1i2m s ASP 65 Cb -0.15 -2.37 1.44 0.00 -0.30 0.00 0.00 42.92 41.54 1i2m s ASP 65 CO 0.16 -0.93 1.85 0.71 -0.17 0.00 0.00 175.17 176.79 1i2m h THR 66 N 5.43 0.39 -6.69 1.71 1.35 -1.80 -3.38 112.91 109.92 1i2m h THR 66 Ca 0.18 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.50 1i2m h THR 66 Cb 0.99 0.55 -0.17 0.00 -1.73 0.00 0.00 68.15 67.79 1i2m h THR 66 CO 1.09 0.00 -0.85 0.00 -0.25 0.00 0.00 175.52 175.51 1i2m n ALA 67 N -2.46 -1.48 -0.56 6.62 0.00 -1.26 -0.95 120.51 120.41 1i2m n ALA 67 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1i2m n ALA 67 Cb 0.84 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1i2m n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2m n GLY 68 N -1.61 1.81 0.28 0.00 0.00 -1.26 -4.88 105.19 99.53 1i2m n GLY 68 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 1i2m n GLY 68 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1i2m h GLN 69 N 2.50 0.00 0.00 1.61 1.08 -1.40 0.54 115.11 119.45 1i2m h GLN 69 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1i2m h GLN 69 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1i2m h GLN 69 CO 0.00 0.07 -0.06 1.05 -0.95 0.00 0.00 178.83 178.95 1i2m h GLU 70 N 0.00 0.00 0.05 1.46 9.09 -1.90 0.28 114.58 123.57 1i2m h GLU 70 Ca -0.00 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.04 1i2m h GLU 70 Cb 0.21 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.27 1i2m h GLU 70 CO 0.01 0.06 -2.16 1.63 0.05 0.00 0.00 179.01 178.60 1i2m n LYS 71 N -3.27 0.68 -0.00 1.06 5.02 0.08 -4.72 118.16 117.00 1i2m n LYS 71 Ca -0.01 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1i2m n LYS 71 Cb 0.25 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1i2m n LYS 71 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1i2m n PHE 72 N -3.58 0.00 -1.46 2.13 3.01 -0.58 -5.05 117.46 111.93 1i2m n PHE 72 Ca -0.40 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.01 1i2m n PHE 72 Cb 0.97 -0.21 0.03 0.00 -0.01 0.00 0.00 39.48 40.26 1i2m n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i2m n GLY 73 N 1.57 -0.71 0.05 1.37 0.00 0.99 -5.02 105.19 103.44 1i2m n GLY 73 Ca -0.01 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.29 1i2m n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2m n GLY 74 N 3.41 2.92 0.00 -0.02 0.00 -1.26 -4.71 105.19 105.54 1i2m n GLY 74 Ca 0.03 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1i2m n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i2m n LEU 75 N -0.72 0.00 0.00 0.99 4.77 -1.26 -4.97 117.00 115.80 1i2m n LEU 75 Ca 0.05 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1i2m n LEU 75 Cb 0.42 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1i2m n LEU 75 CO 0.00 -0.03 0.00 0.54 -1.33 0.00 0.00 177.39 176.57 1i2m n ARG 76 N -1.32 0.00 0.00 3.23 5.12 -1.26 -0.64 116.66 121.80 1i2m n ARG 76 Ca 0.12 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.09 1i2m n ARG 76 Cb 0.23 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.75 1i2m n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1i2m n ASP 77 N 4.93 0.02 0.02 0.55 8.00 -1.26 -3.39 116.55 125.42 1i2m n ASP 77 Ca 0.00 0.51 0.18 0.00 0.71 0.00 0.00 54.79 56.19 1i2m n ASP 77 Cb 0.00 -0.51 0.66 0.00 -0.02 0.00 0.00 41.12 41.25 1i2m n ASP 77 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1i2m h GLY 78 N 1.72 0.06 1.52 0.44 0.00 -1.28 -0.29 103.07 105.24 1i2m h GLY 78 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1i2m h GLY 78 CO 0.00 0.01 -0.32 -0.97 0.00 0.00 0.00 176.54 175.25 1i2m h TYR 79 N 0.04 0.63 0.00 5.60 -1.99 -1.76 -3.32 116.97 116.17 1i2m h TYR 79 Ca 0.23 -0.16 -0.15 0.00 2.00 0.00 0.00 58.73 60.65 1i2m h TYR 79 Cb 0.85 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 39.41 1i2m h TYR 79 CO -0.00 0.80 -1.91 0.66 -0.00 0.00 0.00 178.16 177.71 1i2m n TYR 80 N -4.07 0.30 -1.62 4.88 0.53 -0.71 -4.92 117.16 111.55 1i2m n TYR 80 Ca -0.01 0.10 -0.47 0.00 -1.02 0.00 0.00 57.90 56.49 1i2m n TYR 80 Cb 0.46 -0.82 -0.03 0.00 -1.03 0.00 0.00 39.34 37.92 1i2m n TYR 80 CO 0.00 0.00 0.00 1.51 -1.02 0.00 0.00 176.86 177.35 1i2m n ILE 81 N -2.58 0.90 -0.97 -0.72 3.06 -0.20 -1.49 119.36 117.36 1i2m n ILE 81 Ca -0.14 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 59.88 1i2m n ILE 81 Cb 0.81 -1.10 0.00 0.00 0.54 0.00 0.00 39.64 39.90 1i2m n ILE 81 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1i2m n GLN 82 N 1.88 -0.74 -2.37 9.51 6.02 -1.26 -4.99 117.38 125.43 1i2m n GLN 82 Ca 0.14 0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.90 1i2m n GLN 82 Cb 0.27 -3.79 -0.04 0.00 1.02 0.00 0.00 30.24 27.70 1i2m n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i2m s ALA 83 N -1.74 3.44 -0.73 -1.58 0.00 -0.55 -4.72 121.76 115.88 1i2m s ALA 83 Ca 0.00 0.98 0.20 0.00 0.00 0.00 0.00 51.96 53.14 1i2m s ALA 83 Cb 0.00 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.50 1i2m s ALA 83 CO 0.00 -0.32 0.75 1.04 0.00 0.00 0.00 175.76 177.23 1i2m n GLN 84 N 1.56 0.56 -3.73 0.00 6.02 -0.47 -4.92 117.38 116.39 1i2m n GLN 84 Ca 0.01 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.92 1i2m n GLN 84 Cb 0.44 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 1i2m n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i2m s ALA 86 N -3.27 -1.04 -0.11 0.00 0.00 -0.81 -1.93 121.76 114.60 1i2m s ALA 86 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1i2m s ALA 86 Cb -0.01 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1i2m s ALA 86 CO 0.01 -0.57 -0.09 0.42 0.00 0.00 0.00 175.76 175.54 1i2m s ILE 87 N -3.19 1.06 -0.26 0.00 1.01 -0.10 -1.51 121.20 118.20 1i2m s ILE 87 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1i2m s ILE 87 Cb 0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1i2m s ILE 87 CO -0.08 0.37 0.12 -0.63 0.00 0.00 0.00 174.94 174.72 1i2m s ILE 88 N 1.51 4.81 0.03 2.92 1.01 0.35 -1.64 121.20 130.18 1i2m s ILE 88 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1i2m s ILE 88 Cb -0.13 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1i2m s ILE 88 CO -0.06 0.31 -0.18 -0.32 0.00 0.00 0.00 174.94 174.69 1i2m s MET 89 N 1.55 2.12 0.21 2.79 1.75 0.30 -0.10 119.30 127.92 1i2m s MET 89 Ca 0.06 -0.95 -0.09 0.00 -1.25 0.00 0.00 55.69 53.47 1i2m s MET 89 Cb -0.15 -2.21 -0.01 0.00 2.84 0.00 0.00 34.83 35.30 1i2m s MET 89 CO 0.06 0.55 0.33 -0.59 -0.65 0.00 0.00 175.02 174.72 1i2m s PHE 90 N -0.90 0.58 -0.40 4.11 -0.12 -0.62 -4.07 117.98 116.56 1i2m s PHE 90 Ca 0.14 -0.90 -0.15 0.00 -0.05 0.00 0.00 56.93 55.97 1i2m s PHE 90 Cb -0.10 -0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.22 1i2m s PHE 90 CO 0.05 -0.81 0.30 0.34 -0.05 0.00 0.00 175.22 175.04 1i2m s ASP 91 N -3.04 6.11 0.33 1.98 2.15 -1.26 -0.50 116.67 122.44 1i2m s ASP 91 Ca 0.25 -0.81 0.25 0.00 0.43 0.00 0.00 52.55 52.67 1i2m s ASP 91 Cb 0.03 -2.16 1.15 0.00 -0.30 0.00 0.00 42.92 41.64 1i2m s ASP 91 CO 0.07 -0.43 1.75 1.62 -0.17 0.00 0.00 175.17 178.01 1i2m h VAL 92 N 5.62 0.00 -0.02 1.11 3.04 -1.23 -1.71 116.25 123.04 1i2m h VAL 92 Ca -0.28 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1i2m h VAL 92 Cb 1.12 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1i2m h VAL 92 CO 0.72 0.00 -0.05 0.35 -1.01 0.00 0.00 177.57 177.58 1i2m n THR 93 N -2.37 0.00 -3.04 3.17 -2.24 -1.26 -4.43 114.28 104.11 1i2m n THR 93 Ca 0.01 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 1i2m n THR 93 Cb 0.17 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1i2m n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1i2m n SER 94 N 0.90 -1.27 0.00 3.42 2.88 -0.65 -4.94 113.62 113.95 1i2m n SER 94 Ca 0.15 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1i2m n SER 94 Cb 0.53 0.39 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1i2m n SER 94 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1i2m n ARG 95 N 1.88 0.00 0.29 -1.46 1.74 -1.16 -1.87 116.66 116.08 1i2m n ARG 95 Ca 0.18 0.30 0.19 0.00 -0.77 0.00 0.00 57.85 57.76 1i2m n ARG 95 Cb 0.56 -1.51 0.89 0.00 -1.02 0.00 0.00 32.46 31.38 1i2m n ARG 95 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1i2m h VAL 96 N 0.00 0.00 0.00 1.55 3.04 -1.96 -1.42 116.25 117.46 1i2m h VAL 96 Ca 0.00 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1i2m h VAL 96 Cb 0.03 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1i2m h VAL 96 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 176.91 1i2m n THR 97 N -2.99 0.56 0.67 3.17 -2.24 -0.78 -1.53 114.28 111.14 1i2m n THR 97 Ca -0.01 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1i2m n THR 97 Cb 0.19 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 67.81 1i2m n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i2m n TYR 98 N -1.33 0.49 -0.31 4.78 9.36 -0.53 -4.41 117.16 125.21 1i2m n TYR 98 Ca 0.07 0.14 0.02 0.00 3.32 0.00 0.00 57.90 61.45 1i2m n TYR 98 Cb 0.15 -0.63 0.08 0.00 -0.63 0.00 0.00 39.34 38.32 1i2m n TYR 98 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1i2m h LYS 99 N 0.00 -0.02 -0.06 2.98 3.64 -1.43 -1.45 116.57 120.23 1i2m h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i2m h LYS 99 Cb 0.69 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1i2m h LYS 99 CO 0.00 -0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.26 1i2m n ASN 100 N -5.53 0.98 -0.26 4.20 3.02 -1.26 -4.39 115.26 112.02 1i2m n ASN 100 Ca 0.11 -1.47 0.04 0.00 -0.03 0.00 0.00 54.58 53.24 1i2m n ASN 100 Cb 0.42 -0.04 0.17 0.00 -0.61 0.00 0.00 39.78 39.73 1i2m n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i2m h VAL 101 N 1.41 0.75 -0.65 2.41 2.07 -1.53 -0.85 116.25 119.84 1i2m h VAL 101 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1i2m h VAL 101 Cb 0.30 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1i2m h VAL 101 CO 0.00 0.10 0.26 -0.65 0.02 0.00 0.00 177.57 177.30 1i2m h PRO 102 N 0.54 0.96 -0.29 1.57 0.11 -1.80 -0.20 132.00 132.88 1i2m h PRO 102 Ca 0.40 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1i2m h PRO 102 Cb 0.53 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1i2m h PRO 102 CO -0.34 0.78 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.24 1i2m h ASN 103 N 0.94 0.57 -0.58 -2.05 2.35 -1.61 -0.13 115.58 115.09 1i2m h ASN 103 Ca 0.22 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1i2m h ASN 103 Cb 0.18 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1i2m h ASN 103 CO -0.02 0.82 0.28 -0.50 -1.65 0.00 0.00 177.43 176.36 1i2m h TRP 104 N 0.33 0.83 -0.40 1.19 6.55 -0.99 -1.16 115.95 122.29 1i2m h TRP 104 Ca 0.07 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 1i2m h TRP 104 Cb 0.57 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.59 1i2m h TRP 104 CO 0.05 0.63 0.22 1.25 -1.05 0.00 0.00 178.44 179.55 1i2m h HIS 105 N 0.79 0.55 -0.38 0.49 2.76 -0.89 -0.81 115.15 117.66 1i2m h HIS 105 Ca 0.20 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1i2m h HIS 105 Cb 0.11 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1i2m h HIS 105 CO -0.00 0.43 0.19 0.00 -1.30 0.00 0.00 177.93 177.24 1i2m h ARG 106 N 0.52 0.54 -0.67 5.26 2.47 -0.81 -2.26 114.38 119.43 1i2m h ARG 106 Ca 0.14 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1i2m h ARG 106 Cb 0.06 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1i2m h ARG 106 CO -0.02 0.47 0.26 -0.44 0.56 0.00 0.00 179.97 180.79 1i2m h ASP 107 N 0.47 0.93 -0.79 7.04 3.32 -1.05 -0.40 116.42 125.94 1i2m h ASP 107 Ca 0.13 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1i2m h ASP 107 Cb 0.11 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1i2m h ASP 107 CO -0.02 0.86 0.33 -0.07 -1.72 0.00 0.00 179.24 178.61 1i2m h LEU 108 N 0.95 1.09 -0.53 1.55 3.38 -1.03 -0.52 115.31 120.19 1i2m h LEU 108 Ca 0.22 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1i2m h LEU 108 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1i2m h LEU 108 CO -0.02 0.96 -0.60 0.58 0.09 0.00 0.00 178.44 179.46 1i2m h VAL 109 N 1.15 1.34 -0.40 1.22 2.07 -1.16 -0.19 116.25 120.28 1i2m h VAL 109 Ca 0.27 -1.90 -0.10 0.00 0.82 0.00 0.00 66.70 65.79 1i2m h VAL 109 Cb 0.20 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1i2m h VAL 109 CO -0.02 0.58 -0.12 -0.09 0.02 0.00 0.00 177.57 177.93 1i2m h ARG 110 N 0.34 0.80 0.05 1.57 2.43 -0.74 0.19 114.38 119.02 1i2m h ARG 110 Ca -0.00 -0.32 -0.28 0.00 -0.81 0.00 0.00 59.98 58.57 1i2m h ARG 110 Cb 1.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1i2m h ARG 110 CO 0.11 0.94 -1.45 0.28 -1.51 0.00 0.00 179.97 178.33 1i2m h VAL 111 N 0.61 1.20 0.00 0.20 2.07 -1.11 -3.40 116.25 115.82 1i2m h VAL 111 Ca 0.10 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1i2m h VAL 111 Cb 0.66 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1i2m h VAL 111 CO 0.04 0.76 -0.98 0.00 0.02 0.00 0.00 177.57 177.41 1i2m n GLU 113 N -1.53 0.00 -1.29 0.00 1.02 0.66 -4.43 120.64 115.07 1i2m n GLU 113 Ca -0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1i2m n GLU 113 Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.47 1i2m n GLU 113 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1i2m n ASN 114 N 3.84 7.87 -4.86 1.62 2.85 -1.26 -4.25 115.26 121.06 1i2m n ASN 114 Ca 0.00 -2.60 -0.31 0.00 -0.11 0.00 0.00 54.58 51.56 1i2m n ASN 114 Cb 0.00 -1.51 -0.05 0.00 1.24 0.00 0.00 39.78 39.46 1i2m n ASN 114 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1i2m s ILE 115 N 1.59 4.74 0.20 -1.44 -4.36 -1.26 -5.02 121.20 115.64 1i2m s ILE 115 Ca 0.68 0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 61.55 1i2m s ILE 115 Cb 0.22 -3.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.18 1i2m s ILE 115 CO -0.05 -0.32 1.29 -2.16 0.24 0.00 0.00 174.94 173.94 1i2m s PRO 116 N -3.34 4.40 -0.03 0.37 0.04 -1.26 -4.92 135.00 130.27 1i2m s PRO 116 Ca 0.53 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1i2m s PRO 116 Cb -0.10 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1i2m s PRO 116 CO 0.23 -0.23 -0.06 0.42 0.04 0.00 0.00 177.00 177.40 1i2m s ILE 117 N 0.07 0.60 -0.08 0.56 1.01 -1.26 -1.93 121.20 120.17 1i2m s ILE 117 Ca 0.56 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1i2m s ILE 117 Cb -0.36 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1i2m s ILE 117 CO 0.38 0.21 -0.16 -0.69 0.00 0.00 0.00 174.94 174.68 1i2m s VAL 118 N 0.39 2.87 -0.24 2.92 1.01 -0.57 -3.74 120.40 123.05 1i2m s VAL 118 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1i2m s VAL 118 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1i2m s VAL 118 CO 0.00 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 175.58 1i2m s LEU 119 N -0.24 3.91 -0.20 3.92 2.96 0.96 -0.50 118.68 129.50 1i2m s LEU 119 Ca 0.01 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1i2m s LEU 119 Cb -0.13 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 1i2m s LEU 119 CO 0.03 0.04 -0.09 0.00 -1.32 0.00 0.00 176.35 175.01 1i2m s GLY 121 N 1.25 1.81 -0.06 0.00 0.00 -0.01 -1.59 107.32 108.73 1i2m s GLY 121 Ca 0.03 -1.94 -0.19 0.00 0.00 0.00 0.00 44.72 42.61 1i2m s GLY 121 CO -0.04 1.45 0.55 0.21 0.00 0.00 0.00 173.10 175.27 1i2m s ASN 122 N 2.97 6.85 -1.07 1.64 3.84 0.35 -1.10 114.94 128.42 1i2m s ASN 122 Ca 0.13 1.01 -0.13 0.00 0.21 0.00 0.00 52.86 54.07 1i2m s ASN 122 Cb -0.21 -2.33 0.20 0.00 -0.55 0.00 0.00 41.25 38.36 1i2m s ASN 122 CO 0.09 0.06 1.18 -0.75 -2.79 0.00 0.00 177.10 174.89 1i2m s LYS 123 N 0.17 3.96 0.05 0.43 2.20 -0.58 -0.74 119.74 125.22 1i2m s LYS 123 Ca 0.29 -2.60 -0.20 0.00 -0.36 0.00 0.00 55.97 53.10 1i2m s LYS 123 Cb -0.17 -4.79 -0.13 0.00 -1.51 0.00 0.00 37.83 31.24 1i2m s LYS 123 CO 0.14 -1.54 1.39 0.28 -0.36 0.00 0.00 175.35 175.27 1i2m h VAL 124 N 4.60 1.32 -0.62 4.02 2.07 -1.91 -3.35 116.25 122.38 1i2m h VAL 124 Ca 0.21 -1.19 -0.59 0.00 0.82 0.00 0.00 66.70 65.95 1i2m h VAL 124 Cb 0.93 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1i2m h VAL 124 CO 1.07 0.35 2.03 -0.67 0.02 0.00 0.00 177.57 180.37 1i2m n ASP 125 N -4.59 4.24 -1.97 0.57 -0.08 -1.26 -4.81 116.55 108.65 1i2m n ASP 125 Ca -0.06 -2.84 -0.05 0.00 -1.51 0.00 0.00 54.79 50.33 1i2m n ASP 125 Cb 0.33 -1.71 -0.07 0.00 2.34 0.00 0.00 41.12 42.01 1i2m n ASP 125 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1i2m n ILE 126 N 6.59 1.74 -2.94 5.18 -5.35 -1.26 -4.16 119.36 119.17 1i2m n ILE 126 Ca 0.48 -0.74 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 1i2m n ILE 126 Cb 0.45 -1.64 -0.00 0.00 -1.74 0.00 0.00 39.64 36.71 1i2m n ILE 126 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1i2m n LYS 127 N 2.27 0.70 0.00 6.28 5.02 -1.26 -5.05 118.16 126.12 1i2m n LYS 127 Ca 0.17 -2.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 1i2m n LYS 127 Cb 0.50 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1i2m n LYS 127 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1i2m n ASP 128 N 1.75 0.00 -2.84 4.39 10.43 -1.26 -5.07 116.55 123.95 1i2m n ASP 128 Ca 0.15 0.00 -0.31 0.00 2.57 0.00 0.00 54.79 57.20 1i2m n ASP 128 Cb 0.58 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.49 1i2m n ASP 128 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1i2m n ARG 129 N 0.00 3.22 -2.88 -1.24 5.12 -1.26 -4.17 116.66 115.45 1i2m n ARG 129 Ca 0.00 -2.62 -0.12 0.00 -1.93 0.00 0.00 57.85 53.18 1i2m n ARG 129 Cb 0.00 -2.34 0.02 0.00 -1.16 0.00 0.00 32.46 28.98 1i2m n ARG 129 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1i2m n LYS 130 N 1.45 1.07 0.00 5.56 3.00 -1.26 -4.77 118.16 123.21 1i2m n LYS 130 Ca 0.55 -3.12 0.07 0.00 -0.00 0.00 0.00 58.31 55.81 1i2m n LYS 130 Cb 0.46 -1.32 -0.07 0.00 0.00 0.00 0.00 35.03 34.09 1i2m n LYS 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1i2m n VAL 131 N 0.06 0.00 0.32 3.15 0.31 -1.26 -3.98 118.33 116.93 1i2m n VAL 131 Ca 0.14 -0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1i2m n VAL 131 Cb 0.75 1.02 0.16 0.00 -0.91 0.00 0.00 33.84 34.86 1i2m n VAL 131 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1i2m n LYS 132 N -1.24 2.50 0.00 5.55 0.00 -1.26 -1.82 118.16 121.89 1i2m n LYS 132 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 58.31 57.08 1i2m n LYS 132 Cb 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.51 1i2m n LYS 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i2m n ALA 133 N 0.27 1.60 0.38 3.14 0.00 -1.26 -4.48 120.51 120.15 1i2m n ALA 133 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1i2m n ALA 133 Cb 0.60 0.11 0.25 0.00 0.00 0.00 0.00 19.45 20.41 1i2m n ALA 133 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1i2m h LYS 134 N 0.00 0.00 0.00 0.00 1.57 -1.68 -3.31 116.57 113.16 1i2m h LYS 134 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1i2m h LYS 134 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1i2m h LYS 134 CO 0.00 0.00 -1.99 0.45 -0.57 0.00 0.00 179.45 177.34 1i2m n SER 135 N -2.76 0.44 -0.31 0.86 2.88 -0.76 -4.49 113.62 109.49 1i2m n SER 135 Ca 0.04 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.79 1i2m n SER 135 Cb 0.49 1.71 0.48 0.00 -0.75 0.00 0.00 64.21 66.14 1i2m n SER 135 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1i2m h ILE 136 N 0.00 0.59 0.00 2.46 1.08 -1.78 0.83 117.51 120.69 1i2m h ILE 136 Ca -0.11 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1i2m h ILE 136 Cb 1.17 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1i2m h ILE 136 CO 0.01 0.08 -0.04 0.58 -0.69 0.00 0.00 178.15 178.09 1i2m h VAL 137 N 0.45 0.40 0.00 1.67 2.07 -1.79 -2.94 116.25 116.12 1i2m h VAL 137 Ca 0.56 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.83 1i2m h VAL 137 Cb 1.33 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1i2m h VAL 137 CO -0.28 0.04 -1.49 0.49 0.02 0.00 0.00 177.57 176.34 1i2m n PHE 138 N -3.59 0.61 0.19 1.57 3.01 0.28 -3.88 117.46 115.65 1i2m n PHE 138 Ca -0.02 0.19 0.05 0.00 1.01 0.00 0.00 57.45 58.67 1i2m n PHE 138 Cb 0.14 -0.85 0.38 0.00 -0.01 0.00 0.00 39.48 39.14 1i2m n PHE 138 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1i2m h HIS 139 N 0.00 0.00 -0.35 1.38 3.86 -1.46 -3.42 115.15 115.16 1i2m h HIS 139 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1i2m h HIS 139 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1i2m h HIS 139 CO 0.00 0.37 0.00 -2.13 0.86 0.00 0.00 177.93 177.03 1i2m n ARG 140 N -3.78 1.68 0.00 2.45 0.00 -1.22 -4.62 116.66 111.17 1i2m n ARG 140 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1i2m n ARG 140 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 1i2m n ARG 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1i2m n LYS 141 N 0.00 0.00 0.00 -0.14 4.81 -1.26 -4.85 118.16 116.72 1i2m n LYS 141 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1i2m n LYS 141 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1i2m n LYS 141 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1i2m n LYS 142 N 0.00 0.00 -0.35 1.64 4.76 -1.26 -5.00 118.16 117.96 1i2m n LYS 142 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1i2m n LYS 142 Cb 0.00 0.00 0.34 0.00 -1.84 0.00 0.00 35.03 33.53 1i2m n LYS 142 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1i2m h ASN 143 N 1.01 0.73 -4.14 4.39 7.08 -1.99 -3.41 115.58 119.25 1i2m h ASN 143 Ca 0.00 0.11 -0.69 0.00 -3.08 0.00 0.00 56.30 52.64 1i2m h ASN 143 Cb 0.00 -0.01 -0.24 0.00 -2.08 0.00 0.00 38.32 35.98 1i2m h ASN 143 CO 0.00 0.21 -0.86 -0.76 -2.08 0.00 0.00 177.43 173.94 1i2m s LEU 144 N -10.32 2.30 0.05 6.14 1.43 -1.26 -5.08 118.68 111.94 1i2m s LEU 144 Ca -0.11 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.09 1i2m s LEU 144 Cb 0.26 -1.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.08 1i2m s LEU 144 CO 0.80 0.24 1.41 -1.58 0.23 0.00 0.00 176.35 177.45 1i2m s GLN 145 N -1.48 4.29 -0.00 1.70 2.00 -1.25 -4.83 119.66 120.09 1i2m s GLN 145 Ca 0.13 2.04 0.04 0.00 -2.00 0.00 0.00 55.36 55.57 1i2m s GLN 145 Cb -0.10 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.24 1i2m s GLN 145 CO 0.04 -0.52 -0.12 -0.47 -0.50 0.00 0.00 175.29 173.72 1i2m s TYR 146 N 1.86 2.75 -0.01 1.67 5.04 -1.26 -0.03 117.35 127.37 1i2m s TYR 146 Ca 0.65 -0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 55.15 1i2m s TYR 146 Cb -0.34 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.39 1i2m s TYR 146 CO 0.29 0.29 0.03 0.71 -1.34 0.00 0.00 175.55 175.52 1i2m s TYR 147 N -0.90 -0.02 -0.11 4.97 1.51 -0.58 -4.97 117.35 117.25 1i2m s TYR 147 Ca 0.15 0.09 -0.20 0.00 -1.01 0.00 0.00 57.07 56.09 1i2m s TYR 147 Cb -0.11 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.67 1i2m s TYR 147 CO 0.05 -0.03 0.57 -0.51 -1.11 0.00 0.00 175.55 174.52 1i2m s ASP 148 N 0.24 6.79 0.22 2.29 -0.00 -1.26 -0.83 116.67 124.13 1i2m s ASP 148 Ca -0.02 0.95 0.01 0.00 -0.00 0.00 0.00 52.55 53.49 1i2m s ASP 148 Cb -0.03 -2.34 -0.05 0.00 -0.00 0.00 0.00 42.92 40.51 1i2m s ASP 148 CO -0.01 -0.07 0.08 0.27 -0.00 0.00 0.00 175.17 175.44 1i2m s ILE 149 N 0.83 0.48 -0.29 0.77 -4.36 -0.26 -4.60 121.20 113.77 1i2m s ILE 149 Ca 0.30 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.54 1i2m s ILE 149 Cb -0.16 -2.45 0.12 0.00 1.25 0.00 0.00 42.46 41.21 1i2m s ILE 149 CO 0.13 -0.15 0.85 -0.55 0.24 0.00 0.00 174.94 175.46 1i2m s SER 150 N -3.24 -0.70 -0.28 4.36 0.15 -1.16 -1.53 113.70 111.30 1i2m s SER 150 Ca 0.34 1.13 -0.29 0.00 0.70 0.00 0.00 55.95 57.82 1i2m s SER 150 Cb 0.07 1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 65.65 1i2m s SER 150 CO 0.10 -0.18 1.56 0.00 1.20 0.00 0.00 173.24 175.92 1i2m s ALA 151 N 1.45 3.18 0.00 5.45 0.00 -1.26 -2.96 121.76 127.63 1i2m s ALA 151 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1i2m s ALA 151 Cb -0.04 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1i2m s ALA 151 CO -0.17 -2.10 0.00 1.17 0.00 0.00 0.00 175.76 174.66 1i2m n LYS 152 N 7.80 0.00 -1.04 0.00 4.81 -1.26 -4.88 118.16 123.58 1i2m n LYS 152 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1i2m n LYS 152 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.51 1i2m n LYS 152 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1i2m n SER 153 N 0.00 -4.03 -3.56 3.14 2.88 -1.26 -3.56 113.62 107.23 1i2m n SER 153 Ca 0.00 0.04 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 1i2m n SER 153 Cb 0.00 -1.66 -0.05 0.00 -0.75 0.00 0.00 64.21 61.75 1i2m n SER 153 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i2m n ASN 154 N -0.13 -1.36 -4.71 -3.46 3.02 -1.25 -4.70 115.26 102.68 1i2m n ASN 154 Ca -0.01 -0.65 -0.58 0.00 -0.03 0.00 0.00 54.58 53.31 1i2m n ASN 154 Cb 0.19 -1.22 -0.07 0.00 -0.61 0.00 0.00 39.78 38.07 1i2m n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i2m n TYR 155 N -3.13 2.02 -1.01 3.10 9.36 -1.15 -0.80 117.16 125.54 1i2m n TYR 155 Ca 0.07 0.56 -0.06 0.00 3.32 0.00 0.00 57.90 61.79 1i2m n TYR 155 Cb 0.39 -2.45 -0.03 0.00 -0.63 0.00 0.00 39.34 36.63 1i2m n TYR 155 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1i2m n ASN 156 N 5.19 -4.27 0.08 2.98 3.02 -1.26 -2.97 115.26 118.03 1i2m n ASN 156 Ca 0.26 0.15 0.20 0.00 -0.03 0.00 0.00 54.58 55.16 1i2m n ASN 156 Cb 0.13 -3.10 0.75 0.00 -0.61 0.00 0.00 39.78 36.95 1i2m n ASN 156 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1i2m h PHE 157 N 0.00 0.00 0.00 3.10 -1.00 -1.31 -1.07 116.94 116.66 1i2m h PHE 157 Ca -0.12 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.61 1i2m h PHE 157 Cb 0.84 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 1i2m h PHE 157 CO 0.45 0.00 -1.33 -0.85 -1.61 0.00 0.00 178.31 174.97 1i2m n GLU 158 N -3.97 0.62 -0.19 1.51 -0.00 -1.26 -4.50 120.64 112.85 1i2m n GLU 158 Ca 0.07 0.07 -0.04 0.00 -0.00 0.00 0.00 57.16 57.26 1i2m n GLU 158 Cb 0.56 -1.75 0.02 0.00 -0.00 0.00 0.00 31.44 30.27 1i2m n GLU 158 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1i2m h LYS 159 N 0.00 -0.13 -0.63 3.44 1.79 -1.58 0.28 116.57 119.75 1i2m h LYS 159 Ca -0.05 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1i2m h LYS 159 Cb 1.15 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1i2m h LYS 159 CO 0.01 -0.09 0.35 -1.35 -1.08 0.00 0.00 179.45 177.29 1i2m h PRO 160 N -0.13 0.63 -0.51 3.15 0.11 -1.79 0.09 132.00 133.55 1i2m h PRO 160 Ca 0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1i2m h PRO 160 Cb 0.52 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1i2m h PRO 160 CO -0.64 0.42 -0.05 0.74 -0.21 0.00 0.00 178.00 178.26 1i2m h PHE 161 N 0.65 1.03 -0.44 0.65 -1.00 -1.64 -1.83 116.94 114.36 1i2m h PHE 161 Ca 0.28 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1i2m h PHE 161 Cb 0.15 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1i2m h PHE 161 CO -0.08 0.97 0.22 1.25 -1.61 0.00 0.00 178.31 179.05 1i2m h LEU 162 N 0.79 0.57 -0.24 1.54 5.85 -0.42 0.10 115.31 123.51 1i2m h LEU 162 Ca 0.14 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1i2m h LEU 162 Cb 0.59 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1i2m h LEU 162 CO 0.04 0.54 0.13 -0.25 -0.34 0.00 0.00 178.44 178.55 1i2m h TRP 163 N 0.57 0.33 -0.38 1.25 7.01 -0.90 -1.71 115.95 122.13 1i2m h TRP 163 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 1i2m h TRP 163 Cb 0.11 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1i2m h TRP 163 CO -0.01 0.29 0.19 -0.07 -2.79 0.00 0.00 178.44 176.04 1i2m h LEU 164 N 0.28 0.49 -0.66 0.65 3.38 -1.16 -2.38 115.31 115.92 1i2m h LEU 164 Ca 0.08 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1i2m h LEU 164 Cb 0.07 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1i2m h LEU 164 CO -0.01 0.47 0.36 0.00 0.09 0.00 0.00 178.44 179.35 1i2m h ALA 165 N 1.04 0.87 -0.64 1.53 0.00 -0.61 0.12 119.26 121.57 1i2m h ALA 165 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1i2m h ALA 165 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1i2m h ALA 165 CO -0.02 0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.54 1i2m h ARG 166 N 0.67 0.95 -0.49 0.00 3.08 -1.13 -0.02 114.38 117.44 1i2m h ARG 166 Ca 0.29 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1i2m h ARG 166 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1i2m h ARG 166 CO -0.18 0.79 -0.19 0.87 -1.07 0.00 0.00 179.97 180.18 1i2m h LYS 167 N 0.90 1.00 -0.36 0.04 1.79 -0.89 0.27 116.57 119.32 1i2m h LYS 167 Ca 0.22 -0.42 -0.15 0.00 -2.18 0.00 0.00 60.65 58.12 1i2m h LYS 167 Cb 0.18 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1i2m h LYS 167 CO -0.02 1.09 -0.37 -0.07 -1.08 0.00 0.00 179.45 179.00 1i2m h LEU 168 N 0.85 0.95 0.00 2.94 3.38 -0.58 -3.15 115.31 119.70 1i2m h LEU 168 Ca 0.11 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1i2m h LEU 168 Cb 0.77 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1i2m h LEU 168 CO 0.06 1.23 -0.56 0.40 0.09 0.00 0.00 178.44 179.66 1i2m h ILE 169 N 0.69 0.13 -0.74 1.22 1.08 -1.01 -3.48 117.51 115.41 1i2m h ILE 169 Ca 0.06 -1.21 -0.11 0.00 -0.39 0.00 0.00 64.86 63.20 1i2m h ILE 169 Cb 0.96 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1i2m h ILE 169 CO 0.09 0.08 -0.14 0.61 -0.69 0.00 0.00 178.15 178.10 1i2m n GLY 170 N 1.17 0.22 2.89 5.37 0.00 0.89 -5.02 105.19 110.72 1i2m n GLY 170 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1i2m n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i2m s ASP 171 N -2.77 4.40 0.41 1.61 -1.08 -0.81 -4.97 116.67 113.47 1i2m s ASP 171 Ca 0.00 -2.04 0.29 0.00 -0.52 0.00 0.00 52.55 50.28 1i2m s ASP 171 Cb 0.00 -1.31 1.45 0.00 -1.46 0.00 0.00 42.92 41.61 1i2m s ASP 171 CO 0.00 -0.38 1.87 -0.65 0.52 0.00 0.00 175.17 176.53 1i2m h PRO 172 N 7.68 0.00 -0.29 4.34 0.11 -1.96 -1.91 132.00 139.97 1i2m h PRO 172 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1i2m h PRO 172 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1i2m h PRO 172 CO 0.51 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 1i2m n ASN 173 N -2.52 2.64 -4.77 -2.05 3.02 -1.26 -4.95 115.26 105.37 1i2m n ASN 173 Ca -0.01 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 1i2m n ASN 173 Cb 0.10 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1i2m n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1i2m s LEU 174 N -1.50 4.36 0.01 3.41 2.96 -0.72 -5.01 118.68 122.19 1i2m s LEU 174 Ca 0.35 2.88 -0.00 0.00 -0.22 0.00 0.00 54.13 57.14 1i2m s LEU 174 Cb 0.20 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 1i2m s LEU 174 CO 0.29 -0.74 -0.01 -1.61 -1.32 0.00 0.00 176.35 172.96 1i2m s GLU 175 N -1.71 0.19 0.12 1.98 0.41 -1.26 -4.98 118.70 113.45 1i2m s GLU 175 Ca 0.53 -0.34 -0.21 0.00 -0.41 0.00 0.00 54.97 54.54 1i2m s GLU 175 Cb -0.44 0.07 -0.07 0.00 -1.78 0.00 0.00 34.13 31.91 1i2m s GLU 175 CO 0.57 -0.03 0.65 -0.06 -0.49 0.00 0.00 175.26 175.89 1i2m s PHE 176 N -0.83 3.82 -1.65 1.61 2.99 -1.26 -1.85 117.98 120.81 1i2m s PHE 176 Ca -0.09 1.39 0.13 0.00 0.00 0.00 0.00 56.93 58.36 1i2m s PHE 176 Cb -0.06 -2.59 0.10 0.00 0.00 0.00 0.00 43.02 40.48 1i2m s PHE 176 CO -0.00 0.54 0.92 1.33 -0.00 0.00 0.00 175.22 178.00