#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iet s GLN 3 N 0.00 4.24 -0.37 9.51 -0.21 -1.26 -4.81 119.66 126.76 3iet s GLN 3 Ca 0.00 0.56 -0.11 0.00 0.02 0.00 0.00 55.36 55.83 3iet s GLN 3 Cb 0.00 -3.54 0.02 0.00 1.00 0.00 0.00 33.01 30.49 3iet s GLN 3 CO 0.00 -0.13 0.21 -0.51 -2.12 0.00 0.00 175.29 172.74 3iet s LEU 4 N 1.55 4.68 -0.37 2.90 1.43 -1.26 -1.43 118.68 126.18 3iet s LEU 4 Ca 0.28 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 3iet s LEU 4 Cb -0.16 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 3iet s LEU 4 CO 0.11 -0.37 0.28 -0.89 0.23 0.00 0.00 176.35 175.71 3iet s THR 5 N 1.57 5.26 -0.08 5.49 2.01 -0.07 -4.20 115.64 125.63 3iet s THR 5 Ca 0.03 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.67 3iet s THR 5 Cb -0.19 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3iet s THR 5 CO 0.07 -0.13 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.21 3iet s GLN 6 N 1.74 2.88 -0.09 4.92 0.74 -1.26 -1.61 119.66 126.97 3iet s GLN 6 Ca 0.06 -0.57 -0.10 0.00 0.05 0.00 0.00 55.36 54.80 3iet s GLN 6 Cb -0.18 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.35 3iet s GLN 6 CO 0.11 0.57 0.27 0.99 -0.55 0.00 0.00 175.29 176.68 3iet s THR 7 N -0.57 0.01 0.92 -0.34 2.01 0.15 -4.64 115.64 113.18 3iet s THR 7 Ca 0.08 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 3iet s THR 7 Cb -0.12 -0.40 0.20 0.00 0.01 0.00 0.00 72.50 72.20 3iet s THR 7 CO 0.02 -0.03 1.26 -0.81 -0.69 0.00 0.00 174.62 174.36 3iet n PRO 8 N 2.77 -0.96 -0.02 4.92 -0.04 -1.26 -0.81 135.00 139.60 3iet n PRO 8 Ca -0.14 -2.31 -0.17 0.00 -0.04 0.00 0.00 63.50 60.84 3iet n PRO 8 Cb 0.58 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 3iet n PRO 8 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3iet h LEU 9 N 0.00 0.93 -8.01 1.53 4.07 -1.82 -3.40 115.31 108.61 3iet h LEU 9 Ca -0.41 -0.62 -0.38 0.00 0.08 0.00 0.00 57.88 56.55 3iet h LEU 9 Cb 1.22 -0.28 -0.29 0.00 1.08 0.00 0.00 40.66 42.40 3iet h LEU 9 CO 0.33 1.42 -0.77 -0.55 -1.08 0.00 0.00 178.44 177.78 3iet s SER 10 N -7.12 0.97 -0.39 -0.43 0.15 -1.26 -1.39 113.70 104.23 3iet s SER 10 Ca -0.10 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.42 3iet s SER 10 Cb 0.09 -0.11 0.15 0.00 -1.71 0.00 0.00 66.02 64.44 3iet s SER 10 CO 0.90 0.10 0.26 -0.22 1.20 0.00 0.00 173.24 175.49 3iet s LEU 11 N -0.20 1.44 0.01 3.45 2.96 0.27 -4.92 118.68 121.71 3iet s LEU 11 Ca 0.03 -2.56 -0.30 0.00 -0.22 0.00 0.00 54.13 51.08 3iet s LEU 11 Cb -0.03 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 3iet s LEU 11 CO -0.00 -0.26 1.13 -2.84 -1.32 0.00 0.00 176.35 173.06 3iet s PRO 12 N 0.60 4.45 -0.01 0.98 0.02 -1.26 -1.35 135.00 138.44 3iet s PRO 12 Ca 0.23 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.84 3iet s PRO 12 Cb -0.15 -3.43 -0.00 0.00 0.02 0.00 0.00 34.50 30.95 3iet s PRO 12 CO -0.06 -0.23 0.08 0.54 -0.33 0.00 0.00 177.00 177.00 3iet s VAL 13 N 1.30 0.06 0.41 3.83 0.11 -0.04 -4.93 120.40 121.13 3iet s VAL 13 Ca 0.56 -0.46 -0.21 0.00 -2.93 0.00 0.00 61.98 58.93 3iet s VAL 13 Cb -0.26 -0.28 -0.11 0.00 -1.53 0.00 0.00 36.38 34.21 3iet s VAL 13 CO 0.27 -0.26 0.93 -0.44 -3.33 0.00 0.00 175.10 172.28 3iet s SER 14 N -0.82 6.98 0.19 3.54 0.01 -1.26 -0.89 113.70 121.45 3iet s SER 14 Ca -0.09 1.68 -0.33 0.00 1.31 0.00 0.00 55.95 58.52 3iet s SER 14 Cb -0.05 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.50 3iet s SER 14 CO 0.00 -0.31 1.39 0.18 0.41 0.00 0.00 173.24 174.91 3iet n LEU 15 N -0.47 2.62 0.00 2.44 4.77 -1.26 -1.47 117.00 123.63 3iet n LEU 15 Ca 0.06 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 3iet n LEU 15 Cb 0.53 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3iet n LEU 15 CO 0.38 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3iet n GLY 16 N 2.43 3.20 3.82 -0.72 0.00 0.96 -4.87 105.19 110.01 3iet n GLY 16 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3iet n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iet s ASP 17 N -0.83 3.69 0.08 1.61 -0.00 -0.54 -3.27 116.67 117.41 3iet s ASP 17 Ca 0.00 0.87 -0.01 0.00 -0.00 0.00 0.00 52.55 53.41 3iet s ASP 17 Cb 0.00 -1.39 -0.04 0.00 -0.00 0.00 0.00 42.92 41.49 3iet s ASP 17 CO 0.00 -2.43 0.25 -1.58 -0.00 0.00 0.00 175.17 171.41 3iet s GLN 18 N -5.39 3.48 0.12 8.23 0.74 -1.26 -0.52 119.66 125.06 3iet s GLN 18 Ca 0.64 -0.37 0.07 0.00 0.05 0.00 0.00 55.36 55.76 3iet s GLN 18 Cb -0.13 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3iet s GLN 18 CO 0.52 0.57 -0.18 0.00 -0.55 0.00 0.00 175.29 175.65 3iet s ALA 19 N -1.56 1.72 -0.04 1.58 0.00 0.02 -4.95 121.76 118.54 3iet s ALA 19 Ca 0.36 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3iet s ALA 19 Cb -0.13 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3iet s ALA 19 CO 0.27 0.25 -0.03 0.45 0.00 0.00 0.00 175.76 176.70 3iet s SER 20 N -2.22 0.73 -0.07 0.00 0.15 -1.26 -0.91 113.70 110.13 3iet s SER 20 Ca 0.09 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.69 3iet s SER 20 Cb -0.08 -0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 63.89 3iet s SER 20 CO 0.04 -0.06 -0.20 -0.63 1.20 0.00 0.00 173.24 173.60 3iet s ILE 21 N 0.83 1.71 -0.04 6.45 1.01 -0.05 -4.82 121.20 126.29 3iet s ILE 21 Ca -0.10 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 3iet s ILE 21 Cb -0.13 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3iet s ILE 21 CO -0.00 0.48 -0.00 -0.44 0.00 0.00 0.00 174.94 174.98 3iet s SER 22 N 0.17 5.16 -0.00 3.58 0.01 0.01 -1.12 113.70 121.51 3iet s SER 22 Ca -0.10 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 3iet s SER 22 Cb -0.15 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.69 3iet s SER 22 CO 0.05 0.33 0.01 0.00 0.41 0.00 0.00 173.24 174.03 3iet s ARG 24 N -0.05 1.76 0.21 0.00 3.00 -0.63 -1.30 118.95 121.94 3iet s ARG 24 Ca -0.01 -0.88 0.05 0.00 -1.00 0.00 0.00 55.73 53.90 3iet s ARG 24 Cb -0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 34.95 33.15 3iet s ARG 24 CO -0.00 0.47 0.24 -1.54 0.00 0.00 0.00 175.30 174.48 3iet s SER 25 N -0.74 5.89 0.02 -2.12 1.04 0.20 -0.89 113.70 117.11 3iet s SER 25 Ca 0.09 -0.06 0.28 0.00 0.48 0.00 0.00 55.95 56.74 3iet s SER 25 Cb -0.09 -1.63 1.00 0.00 0.10 0.00 0.00 66.02 65.40 3iet s SER 25 CO -0.00 -0.00 1.78 -1.54 0.98 0.00 0.00 173.24 174.45 3iet n SER 26 N -0.91 0.21 -3.92 7.02 3.41 -0.52 -4.83 113.62 114.08 3iet n SER 26 Ca -0.08 0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 3iet n SER 26 Cb 0.56 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 3iet n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iet s GLN 27 N -3.02 1.24 0.27 4.33 -2.07 -1.26 -4.95 119.66 114.21 3iet s GLN 27 Ca 0.13 -1.12 -0.30 0.00 -1.82 0.00 0.00 55.36 52.25 3iet s GLN 27 Cb 0.18 0.41 -0.14 0.00 -1.09 0.00 0.00 33.01 32.38 3iet s GLN 27 CO 0.58 -0.48 1.23 0.45 -1.32 0.00 0.00 175.29 175.76 3iet n SER 27 N -0.26 2.15 -0.71 12.60 2.88 -1.26 -4.71 113.62 124.31 3iet n SER 27 Ca -0.07 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 3iet n SER 27 Cb 0.63 -1.37 0.33 0.00 -0.75 0.00 0.00 64.21 63.04 3iet n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iet n LEU 27 N 1.51 2.21 -4.61 2.46 4.32 0.00 -4.88 117.00 118.01 3iet n LEU 27 Ca 0.10 -0.74 -0.43 0.00 -0.02 0.00 0.00 56.01 54.91 3iet n LEU 27 Cb 0.32 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 3iet n LEU 27 CO 0.62 0.37 1.19 -0.69 -1.22 0.00 0.00 177.39 177.66 3iet s VAL 27 N -1.99 4.00 0.59 4.08 1.01 -1.26 -3.52 120.40 123.31 3iet s VAL 27 Ca 0.33 1.06 -0.17 0.00 0.00 0.00 0.00 61.98 63.21 3iet s VAL 27 Cb 0.21 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3iet s VAL 27 CO 0.32 -0.68 1.08 -2.28 0.00 0.00 0.00 175.10 173.55 3iet s HIS 27 N 5.01 2.82 -0.21 5.22 2.46 0.11 -4.91 115.29 125.80 3iet s HIS 27 Ca 0.59 1.54 0.25 0.00 0.47 0.00 0.00 55.06 57.90 3iet s HIS 27 Cb -0.14 -3.12 1.22 0.00 -0.13 0.00 0.00 32.58 30.41 3iet s HIS 27 CO 0.29 -1.34 1.75 0.66 -2.47 0.00 0.00 174.74 173.63 3iet h SER 27 N 0.61 0.00 0.15 9.88 4.64 -1.95 -0.23 113.55 126.66 3iet h SER 27 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3iet h SER 27 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3iet h SER 27 CO 0.56 0.00 -0.04 -0.46 -0.87 0.00 0.00 176.83 176.02 3iet n ASN 28 N -2.36 0.53 0.00 4.97 0.23 -1.26 -4.92 115.26 112.45 3iet n ASN 28 Ca -0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3iet n ASN 28 Cb 0.11 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3iet n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iet n GLY 29 N 1.16 0.23 3.92 4.83 0.00 -0.10 -5.08 105.19 110.15 3iet n GLY 29 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3iet n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iet s ASN 30 N -2.25 6.41 -0.29 1.61 0.01 -1.26 -4.84 114.94 114.32 3iet s ASN 30 Ca 0.00 0.40 -0.02 0.00 -0.71 0.00 0.00 52.86 52.53 3iet s ASN 30 Cb 0.00 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.69 3iet s ASN 30 CO 0.00 0.05 0.00 -0.89 -1.51 0.00 0.00 177.10 174.75 3iet s THR 31 N -1.71 3.08 -1.15 1.60 2.01 -1.26 0.07 115.64 118.28 3iet s THR 31 Ca 0.38 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 3iet s THR 31 Cb -0.12 -2.72 0.26 0.00 0.01 0.00 0.00 72.50 69.92 3iet s THR 31 CO 0.27 -0.05 1.59 -1.22 -0.69 0.00 0.00 174.62 174.53 3iet n TYR 32 N 4.66 2.75 -4.55 4.92 4.02 -1.23 -4.00 117.16 123.73 3iet n TYR 32 Ca -0.14 -2.75 -0.33 0.00 -0.01 0.00 0.00 57.90 54.67 3iet n TYR 32 Cb 0.44 -1.54 -0.15 0.00 -0.02 0.00 0.00 39.34 38.07 3iet n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3iet s LEU 33 N -1.69 2.41 0.14 7.72 1.98 -1.26 -1.56 118.68 126.41 3iet s LEU 33 Ca 0.34 -0.50 0.08 0.00 -2.89 0.00 0.00 54.13 51.17 3iet s LEU 33 Cb 0.05 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.32 3iet s LEU 33 CO 0.06 0.08 -0.19 -1.00 -1.89 0.00 0.00 176.35 173.41 3iet s HIS 34 N 0.83 1.81 -0.02 5.38 3.76 0.12 -0.03 115.29 127.13 3iet s HIS 34 Ca -0.05 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.48 3iet s HIS 34 Cb -0.15 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.59 3iet s HIS 34 CO -0.01 0.29 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.35 3iet s TRP 35 N -1.76 2.19 0.16 1.40 0.52 0.59 -0.85 118.94 121.18 3iet s TRP 35 Ca 0.13 -0.44 0.07 0.00 0.02 0.00 0.00 56.10 55.88 3iet s TRP 35 Cb -0.07 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 3iet s TRP 35 CO 0.06 -0.05 -0.15 0.71 0.02 0.00 0.00 176.95 177.53 3iet s TYR 36 N -0.53 1.58 -0.09 -1.98 1.51 0.37 -0.05 117.35 118.17 3iet s TYR 36 Ca 0.08 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 3iet s TYR 36 Cb -0.10 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 3iet s TYR 36 CO -0.01 0.24 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.37 3iet s LEU 37 N -2.78 1.64 -0.45 -1.29 2.96 0.54 -1.77 118.68 117.53 3iet s LEU 37 Ca 0.15 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3iet s LEU 37 Cb -0.03 -0.94 0.12 0.00 0.50 0.00 0.00 46.19 45.84 3iet s LEU 37 CO 0.05 0.02 0.26 -1.58 -1.32 0.00 0.00 176.35 173.78 3iet s GLN 38 N 0.85 2.15 0.75 1.98 0.74 0.33 -0.73 119.66 125.73 3iet s GLN 38 Ca -0.10 -1.92 -0.12 0.00 0.05 0.00 0.00 55.36 53.27 3iet s GLN 38 Cb -0.15 -3.65 0.05 0.00 1.10 0.00 0.00 33.01 30.35 3iet s GLN 38 CO 0.01 -1.11 1.10 0.15 -0.55 0.00 0.00 175.29 174.89 3iet s LYS 39 N 0.99 2.35 0.06 1.67 1.02 -1.26 -1.61 119.74 122.95 3iet s LYS 39 Ca 0.09 1.23 -0.35 0.00 0.02 0.00 0.00 55.97 56.97 3iet s LYS 39 Cb -0.23 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 3iet s LYS 39 CO -0.04 -1.58 1.63 -2.30 -0.92 0.00 0.00 175.35 172.14 3iet n PRO 40 N -3.29 1.95 -0.96 -1.68 -0.02 -1.26 -1.53 135.00 128.22 3iet n PRO 40 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3iet n PRO 40 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3iet n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iet n GLY 41 N 3.57 0.57 3.68 -1.23 0.00 -1.26 -5.00 105.19 105.51 3iet n GLY 41 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3iet n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iet s GLN 42 N -0.33 2.13 0.62 1.61 -0.21 -0.58 -5.14 119.66 117.77 3iet s GLN 42 Ca 0.00 -1.85 -0.10 0.00 0.02 0.00 0.00 55.36 53.43 3iet s GLN 42 Cb 0.00 -1.91 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 3iet s GLN 42 CO 0.00 -0.01 1.01 -1.54 -2.12 0.00 0.00 175.29 172.63 3iet s SER 43 N -3.80 6.07 0.54 5.90 1.04 -1.26 -4.60 113.70 117.58 3iet s SER 43 Ca 0.38 1.28 -0.20 0.00 0.48 0.00 0.00 55.95 57.89 3iet s SER 43 Cb 0.03 -2.32 -0.07 0.00 0.10 0.00 0.00 66.02 63.77 3iet s SER 43 CO 0.21 -0.93 0.92 -2.65 0.98 0.00 0.00 173.24 171.77 3iet n PRO 44 N -2.73 1.00 -4.35 4.02 -0.02 -1.26 -4.50 135.00 127.16 3iet n PRO 44 Ca 0.05 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.71 3iet n PRO 44 Cb 0.55 -2.08 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 3iet n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3iet s LYS 45 N -2.44 0.99 0.09 -0.52 2.36 0.09 -4.94 119.74 115.37 3iet s LYS 45 Ca 0.71 -0.26 -0.31 0.00 -2.55 0.00 0.00 55.97 53.56 3iet s LYS 45 Cb -0.46 -0.92 -0.08 0.00 -1.05 0.00 0.00 37.83 35.32 3iet s LYS 45 CO 0.51 0.05 1.43 -1.17 1.55 0.00 0.00 175.35 177.73 3iet s LEU 46 N 0.42 4.36 -0.23 5.43 2.96 -1.26 -0.33 118.68 130.02 3iet s LEU 46 Ca -0.07 2.33 -0.15 0.00 -0.22 0.00 0.00 54.13 56.02 3iet s LEU 46 Cb -0.11 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3iet s LEU 46 CO 0.01 -0.70 -0.35 0.18 -1.32 0.00 0.00 176.35 174.16 3iet n LEU 47 N 4.37 1.93 -3.82 -0.68 4.77 0.93 -4.76 117.00 119.74 3iet n LEU 47 Ca 0.12 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3iet n LEU 47 Cb 0.42 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 3iet n LEU 47 CO 0.59 0.21 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.87 3iet s ILE 48 N -2.67 -0.01 0.21 -0.08 1.01 -0.96 -0.36 121.20 118.35 3iet s ILE 48 Ca -0.34 0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.52 3iet s ILE 48 Cb 0.10 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.46 3iet s ILE 48 CO 0.46 0.06 -0.17 -0.72 0.00 0.00 0.00 174.94 174.57 3iet s TYR 49 N 0.59 2.44 -1.31 3.97 -0.85 0.29 -0.30 117.35 122.18 3iet s TYR 49 Ca -0.05 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.17 3iet s TYR 49 Cb -0.07 -1.16 -0.00 0.00 0.38 0.00 0.00 41.96 41.11 3iet s TYR 49 CO -0.02 0.56 0.62 1.63 -1.52 0.00 0.00 175.55 176.83 3iet n LYS 50 N -0.10 -3.88 0.00 -3.49 5.02 -0.91 -1.70 118.16 113.11 3iet n LYS 50 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3iet n LYS 50 Cb 0.57 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 3iet n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iet n VAL 51 N -4.27 0.00 -0.98 -0.18 0.31 0.96 -4.15 118.33 110.02 3iet n VAL 51 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3iet n VAL 51 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 3iet n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3iet n SER 52 N 3.55 0.03 -4.57 4.52 3.41 -1.21 -3.89 113.62 115.46 3iet n SER 52 Ca 0.00 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 3iet n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3iet n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3iet s ASN 53 N -0.01 6.51 0.16 4.04 0.01 -0.69 -4.66 114.94 120.30 3iet s ASN 53 Ca 0.00 0.16 -0.31 0.00 -0.71 0.00 0.00 52.86 52.00 3iet s ASN 53 Cb 0.00 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 3iet s ASN 53 CO 0.00 -0.91 1.49 -0.13 -1.51 0.00 0.00 177.10 176.04 3iet s ARG 54 N 3.42 4.26 0.80 -0.60 0.52 -1.26 -0.54 118.95 125.55 3iet s ARG 54 Ca 0.34 2.26 -0.11 0.00 -0.52 0.00 0.00 55.73 57.69 3iet s ARG 54 Cb -0.12 -3.18 0.07 0.00 0.52 0.00 0.00 34.95 32.25 3iet s ARG 54 CO 0.22 -0.52 1.09 0.12 0.02 0.00 0.00 175.30 176.23 3iet s PHE 55 N 0.92 2.71 0.27 -0.53 5.36 0.52 -4.90 117.98 122.32 3iet s PHE 55 Ca 0.66 1.28 -0.30 0.00 -0.96 0.00 0.00 56.93 57.60 3iet s PHE 55 Cb -0.41 -3.08 -0.13 0.00 -0.34 0.00 0.00 43.02 39.06 3iet s PHE 55 CO 0.33 -1.85 1.42 0.45 -1.46 0.00 0.00 175.22 174.10 3iet n SER 56 N -3.52 2.95 0.00 6.13 2.88 -1.26 -2.20 113.62 118.60 3iet n SER 56 Ca 0.07 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3iet n SER 56 Cb 0.55 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3iet n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iet n GLY 57 N 1.88 1.92 3.67 0.46 0.00 -1.26 -5.04 105.19 106.82 3iet n GLY 57 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3iet n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iet s VAL 58 N -2.38 5.05 0.59 1.61 1.01 -0.94 -5.05 120.40 120.31 3iet s VAL 58 Ca 0.00 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.93 3iet s VAL 58 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3iet s VAL 58 CO 0.00 0.15 1.17 -2.84 0.00 0.00 0.00 175.10 173.58 3iet s PRO 59 N 1.70 3.01 0.00 2.72 0.02 -1.26 -4.87 135.00 136.33 3iet s PRO 59 Ca 0.28 1.71 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3iet s PRO 59 Cb -0.16 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3iet s PRO 59 CO 0.11 -1.14 0.72 -0.40 -0.33 0.00 0.00 177.00 175.95 3iet n ASP 60 N -1.66 0.54 0.16 2.53 5.68 -1.26 -2.06 116.55 120.47 3iet n ASP 60 Ca 0.13 -1.97 0.01 0.00 -0.50 0.00 0.00 54.79 52.46 3iet n ASP 60 Cb 0.50 -0.27 0.33 0.00 -1.14 0.00 0.00 41.12 40.54 3iet n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3iet h ARG 61 N 0.01 0.08 -5.32 0.11 3.08 -1.90 -3.42 114.38 107.01 3iet h ARG 61 Ca 0.00 -0.03 -0.61 0.00 0.07 0.00 0.00 59.98 59.41 3iet h ARG 61 Cb 0.27 -0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.19 3iet h ARG 61 CO 0.00 0.43 -0.17 -0.06 -1.07 0.00 0.00 179.97 179.10 3iet s PHE 62 N -4.22 3.31 -0.05 3.04 0.08 -0.88 -2.10 117.98 117.16 3iet s PHE 62 Ca -0.03 0.55 -0.03 0.00 0.12 0.00 0.00 56.93 57.54 3iet s PHE 62 Cb 0.14 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.03 3iet s PHE 62 CO 0.74 -0.14 0.11 -1.54 -0.10 0.00 0.00 175.22 174.29 3iet s SER 63 N 1.35 -0.10 0.02 1.36 1.04 -0.53 -4.93 113.70 111.91 3iet s SER 63 Ca 0.18 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.87 3iet s SER 63 Cb -0.15 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 3iet s SER 63 CO 0.09 -0.07 -0.05 -0.83 0.98 0.00 0.00 173.24 173.36 3iet s GLY 64 N 0.44 1.81 0.10 7.32 0.00 -1.26 -0.40 107.32 115.33 3iet s GLY 64 Ca -0.03 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3iet s GLY 64 CO -0.02 -0.93 0.11 -1.14 0.00 0.00 0.00 173.10 171.12 3iet n SER 65 N 1.30 -0.28 0.00 1.64 3.41 -0.63 -4.24 113.62 114.82 3iet n SER 65 Ca -0.14 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3iet n SER 65 Cb 0.52 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3iet n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iet n GLY 66 N -0.19 1.19 3.46 5.00 0.00 -1.26 -2.53 105.19 110.86 3iet n GLY 66 Ca 0.02 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 3iet n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iet s SER 67 N 0.00 -0.48 0.35 1.61 1.04 -0.89 -4.96 113.70 110.37 3iet s SER 67 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3iet s SER 67 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3iet s SER 67 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3iet n GLY 68 N -0.37 0.79 0.00 7.32 0.00 -1.26 -1.86 105.19 109.81 3iet n GLY 68 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3iet n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iet n THR 69 N 0.00 0.03 -3.91 2.61 -2.24 -1.26 -0.82 114.28 108.69 3iet n THR 69 Ca 0.00 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 3iet n THR 69 Cb 0.00 1.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.18 3iet n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iet s ASP 70 N -0.03 3.35 0.09 3.42 3.68 -0.78 -0.62 116.67 125.78 3iet s ASP 70 Ca 0.00 -0.93 0.04 0.00 2.13 0.00 0.00 52.55 53.79 3iet s ASP 70 Cb 0.00 -1.03 -0.04 0.00 -1.45 0.00 0.00 42.92 40.41 3iet s ASP 70 CO 0.00 -0.22 -0.10 -0.36 0.13 0.00 0.00 175.17 174.62 3iet s PHE 71 N 1.53 1.06 -0.05 -5.34 0.40 -0.42 -2.09 117.98 113.07 3iet s PHE 71 Ca -0.03 -0.65 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 3iet s PHE 71 Cb -0.17 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 42.80 3iet s PHE 71 CO -0.07 -0.00 0.11 0.99 0.70 0.00 0.00 175.22 176.94 3iet s THR 72 N -2.39 -0.03 -0.18 0.64 2.01 -1.05 -1.46 115.64 113.19 3iet s THR 72 Ca 0.05 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 3iet s THR 72 Cb -0.03 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 3iet s THR 72 CO 0.00 0.04 0.04 -0.22 -0.69 0.00 0.00 174.62 173.79 3iet s LEU 73 N 0.66 3.65 -0.06 4.42 2.96 -0.27 -1.61 118.68 128.43 3iet s LEU 73 Ca -0.05 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3iet s LEU 73 Cb -0.07 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3iet s LEU 73 CO -0.03 0.16 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.46 3iet s LYS 74 N 0.42 2.57 -0.26 1.98 1.02 0.46 -0.88 119.74 125.05 3iet s LYS 74 Ca 0.01 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.27 3iet s LYS 74 Cb -0.13 -2.35 0.07 0.00 -0.52 0.00 0.00 37.83 34.90 3iet s LYS 74 CO 0.01 0.54 -0.02 0.42 -0.92 0.00 0.00 175.35 175.39 3iet s ILE 75 N -0.53 1.55 0.32 2.17 1.01 -0.08 -1.45 121.20 124.18 3iet s ILE 75 Ca 0.07 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 3iet s ILE 75 Cb -0.11 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.38 3iet s ILE 75 CO 0.01 -0.25 0.66 -0.94 0.00 0.00 0.00 174.94 174.42 3iet s SER 76 N 1.35 6.57 -1.04 3.58 1.04 -0.89 -0.80 113.70 123.52 3iet s SER 76 Ca -0.01 1.01 -0.18 0.00 0.48 0.00 0.00 55.95 57.24 3iet s SER 76 Cb -0.19 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.68 3iet s SER 76 CO -0.09 -0.23 0.71 -1.20 0.98 0.00 0.00 173.24 173.41 3iet n SER 77 N -0.76 -5.17 -4.72 7.02 7.64 -0.95 -4.82 113.62 111.87 3iet n SER 77 Ca 0.01 -0.99 -0.43 0.00 1.01 0.00 0.00 58.87 58.48 3iet n SER 77 Cb 0.53 -2.72 -0.02 0.00 -1.01 0.00 0.00 64.21 60.99 3iet n SER 77 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3iet n VAL 78 N -3.80 0.58 -4.28 0.44 0.31 0.33 -4.51 118.33 107.39 3iet n VAL 78 Ca -0.14 -0.15 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 3iet n VAL 78 Cb 0.60 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 3iet n VAL 78 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3iet s GLU 79 N 0.19 2.12 0.37 5.55 -1.05 -1.26 -0.02 118.70 124.59 3iet s GLU 79 Ca 0.69 -1.27 0.11 0.00 -0.15 0.00 0.00 54.97 54.36 3iet s GLU 79 Cb -0.53 -2.18 0.88 0.00 -0.44 0.00 0.00 34.13 31.86 3iet s GLU 79 CO 0.42 0.43 1.86 0.00 0.95 0.00 0.00 175.26 178.92 3iet h ALA 80 N 2.78 1.92 0.00 -0.84 0.00 -1.95 0.53 119.26 121.68 3iet h ALA 80 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iet h ALA 80 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3iet h ALA 80 CO 0.55 -0.18 0.00 -0.85 0.00 0.00 0.00 179.25 178.77 3iet n GLU 81 N -4.57 0.00 0.09 0.00 0.28 -1.26 -1.31 120.64 113.88 3iet n GLU 81 Ca 0.18 0.42 0.12 0.00 -0.16 0.00 0.00 57.16 57.72 3iet n GLU 81 Cb 0.54 -1.51 0.45 0.00 1.43 0.00 0.00 31.44 32.35 3iet n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3iet n ASP 82 N -1.51 0.57 -4.74 -1.84 10.43 0.18 -4.90 116.55 114.74 3iet n ASP 82 Ca 0.01 0.59 -0.34 0.00 2.57 0.00 0.00 54.79 57.62 3iet n ASP 82 Cb 0.06 -0.73 0.06 0.00 1.84 0.00 0.00 41.12 42.35 3iet n ASP 82 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3iet s LEU 83 N -4.16 3.43 0.00 0.64 0.05 -0.43 -4.90 118.68 113.31 3iet s LEU 83 Ca 0.08 2.26 0.00 0.00 0.05 0.00 0.00 54.13 56.52 3iet s LEU 83 Cb 0.12 -4.58 0.00 0.00 -2.05 0.00 0.00 46.19 39.68 3iet s LEU 83 CO 0.47 -1.90 0.00 0.61 -0.55 0.00 0.00 176.35 174.98 3iet n GLY 84 N 0.17 0.94 3.50 -3.48 0.00 -1.16 -4.63 105.19 100.53 3iet n GLY 84 Ca 0.13 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 3iet n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iet s VAL 85 N -2.29 4.50 0.03 1.61 1.01 -0.64 -0.60 120.40 124.02 3iet s VAL 85 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3iet s VAL 85 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 3iet s VAL 85 CO 0.00 0.36 0.44 -0.31 0.00 0.00 0.00 175.10 175.59 3iet s TYR 86 N 1.35 3.72 -0.02 5.22 1.51 0.18 -0.51 117.35 128.80 3iet s TYR 86 Ca 0.05 1.02 0.04 0.00 -1.01 0.00 0.00 57.07 57.17 3iet s TYR 86 Cb -0.15 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.38 3iet s TYR 86 CO 0.04 0.60 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.90 3iet s PHE 87 N -1.15 1.17 0.37 2.71 0.40 -0.73 -0.70 117.98 120.05 3iet s PHE 87 Ca 0.27 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 3iet s PHE 87 Cb -0.17 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.57 3iet s PHE 87 CO 0.15 -0.05 0.57 0.00 0.70 0.00 0.00 175.22 176.60 3iet s SER 89 N -4.10 -0.41 0.03 0.00 0.15 -0.03 -0.80 113.70 108.53 3iet s SER 89 Ca 0.43 0.59 0.08 0.00 0.70 0.00 0.00 55.95 57.74 3iet s SER 89 Cb -0.10 0.64 -0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3iet s SER 89 CO 0.36 -0.36 -0.23 0.00 1.20 0.00 0.00 173.24 174.21 3iet s GLN 90 N -0.61 1.67 -0.06 5.44 1.03 -0.51 0.14 119.66 126.76 3iet s GLN 90 Ca -0.07 -0.97 0.20 0.00 0.04 0.00 0.00 55.36 54.56 3iet s GLN 90 Cb -0.03 -1.76 0.39 0.00 0.03 0.00 0.00 33.01 31.63 3iet s GLN 90 CO 0.04 0.46 1.17 -1.13 -2.54 0.00 0.00 175.29 173.29 3iet n SER 91 N 2.01 1.15 -0.11 12.60 3.41 -0.60 -1.98 113.62 130.10 3iet n SER 91 Ca -0.17 -2.54 -0.12 0.00 -0.26 0.00 0.00 58.87 55.78 3iet n SER 91 Cb 0.52 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3iet n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3iet h THR 92 N 5.17 1.29 -3.89 6.66 2.02 -1.85 -3.45 112.91 118.86 3iet h THR 92 Ca -0.14 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.77 3iet h THR 92 Cb 1.59 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 3iet h THR 92 CO 0.06 0.41 0.00 1.41 0.37 0.00 0.00 175.52 177.77 3iet n HIS 93 N -4.35 -1.99 -1.62 3.16 8.25 -1.26 -5.00 115.22 112.40 3iet n HIS 93 Ca -0.03 0.00 -0.52 0.00 -0.26 0.00 0.00 57.72 56.91 3iet n HIS 93 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 3iet n HIS 93 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3iet n VAL 94 N -0.66 0.07 -1.73 1.59 0.31 -1.26 -4.80 118.33 111.84 3iet n VAL 94 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 3iet n VAL 94 Cb 0.00 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 3iet n VAL 94 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3iet n PRO 95 N 3.19 2.73 -4.05 5.55 -0.02 -1.26 -4.80 135.00 136.34 3iet n PRO 95 Ca 0.20 0.98 -0.08 0.00 -2.02 0.00 0.00 63.50 62.57 3iet n PRO 95 Cb 0.19 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 30.78 3iet n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iet s THR 97 N 0.49 0.18 0.17 3.45 -4.23 -0.84 -5.01 115.64 109.85 3iet s THR 97 Ca 0.69 -1.46 0.11 0.00 -1.18 0.00 0.00 61.69 59.85 3iet s THR 97 Cb -0.50 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 3iet s THR 97 CO 0.42 -0.80 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.08 3iet s PHE 98 N -2.97 2.32 0.93 3.99 0.40 -1.26 -1.42 117.98 119.97 3iet s PHE 98 Ca -0.02 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 3iet s PHE 98 Cb 0.01 -1.19 0.15 0.00 0.51 0.00 0.00 43.02 42.50 3iet s PHE 98 CO -0.07 0.43 1.15 0.20 0.70 0.00 0.00 175.22 177.64 3iet s GLY 99 N -2.42 1.59 0.03 4.36 0.00 0.02 -4.54 107.32 106.36 3iet s GLY 99 Ca 0.18 -0.60 0.24 0.00 0.00 0.00 0.00 44.72 44.54 3iet s GLY 99 CO 0.08 -0.01 1.76 0.61 0.00 0.00 0.00 173.10 175.55 3iet n GLY 100 N -2.28 -1.36 0.00 0.20 0.00 -1.26 -4.76 105.19 95.74 3iet n GLY 100 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3iet n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iet n GLY 101 N 0.95 1.87 2.86 -0.02 0.00 -1.26 -5.04 105.19 104.55 3iet n GLY 101 Ca 0.06 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 3iet n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iet s THR 102 N -2.20 0.70 -0.30 2.61 2.01 0.12 -4.65 115.64 113.93 3iet s THR 102 Ca 0.00 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 3iet s THR 102 Cb 0.00 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 3iet s THR 102 CO 0.00 0.30 0.66 -0.75 -0.69 0.00 0.00 174.62 174.14 3iet s LYS 103 N 1.57 3.91 -0.19 4.92 2.20 -0.48 -0.64 119.74 131.02 3iet s LYS 103 Ca 0.00 0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 55.71 3iet s LYS 103 Cb -0.13 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 3iet s LYS 103 CO -0.05 -0.59 0.88 -1.17 -0.36 0.00 0.00 175.35 174.06 3iet s LEU 104 N 2.68 4.14 -0.08 5.43 0.20 0.23 -0.56 118.68 130.72 3iet s LEU 104 Ca 0.27 1.20 0.04 0.00 0.69 0.00 0.00 54.13 56.32 3iet s LEU 104 Cb -0.15 -3.30 -0.02 0.00 -0.43 0.00 0.00 46.19 42.30 3iet s LEU 104 CO 0.12 -0.48 -0.19 -0.70 -0.29 0.00 0.00 176.35 174.81 3iet s GLU 105 N 2.49 2.80 -0.17 1.98 2.12 -0.46 -3.01 118.70 124.44 3iet s GLU 105 Ca 0.39 -0.79 -0.22 0.00 0.36 0.00 0.00 54.97 54.71 3iet s GLU 105 Cb -0.16 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 3iet s GLU 105 CO 0.10 0.39 0.69 0.42 -0.54 0.00 0.00 175.26 176.32 3iet s ILE 106 N -0.14 4.99 0.37 -3.70 -1.09 -1.26 -0.86 121.20 119.50 3iet s ILE 106 Ca -0.03 1.34 -0.27 0.00 -2.23 0.00 0.00 60.65 59.46 3iet s ILE 106 Cb -0.14 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.64 3iet s ILE 106 CO 0.04 0.10 1.25 -0.54 -1.23 0.00 0.00 174.94 174.56 3iet s LYS 107 N 1.84 4.19 0.04 2.79 1.02 -0.07 -4.88 119.74 124.67 3iet s LYS 107 Ca 0.32 2.05 0.01 0.00 0.02 0.00 0.00 55.97 58.38 3iet s LYS 107 Cb -0.16 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3iet s LYS 107 CO 0.12 -0.27 -0.05 0.50 -0.92 0.00 0.00 175.35 174.73 3iet s ARG 108 N -2.02 0.47 0.10 1.68 3.00 -1.26 -4.66 118.95 116.26 3iet s ARG 108 Ca 0.53 -0.78 -0.23 0.00 -1.00 0.00 0.00 55.73 54.25 3iet s ARG 108 Cb -0.36 -0.08 -0.06 0.00 0.00 0.00 0.00 34.95 34.45 3iet s ARG 108 CO 0.47 -0.01 1.39 0.00 0.00 0.00 0.00 175.30 177.15 3iet h ALA 109 N 4.33 -0.51 0.00 6.12 0.00 -1.95 -3.48 119.26 123.77 3iet h ALA 109 Ca -0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3iet h ALA 109 Cb 1.20 1.15 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3iet h ALA 109 CO 0.45 -0.76 0.00 -3.47 0.00 0.00 0.00 179.25 175.47 3iet n ASP 110 N -4.61 0.00 -3.79 0.00 4.64 -1.26 -5.00 116.55 106.52 3iet n ASP 110 Ca -0.00 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.27 3iet n ASP 110 Cb 0.21 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.15 3iet n ASP 110 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3iet s ALA 111 N 0.00 -0.22 0.45 -1.67 0.00 0.71 -4.90 121.76 116.12 3iet s ALA 111 Ca 0.00 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.22 3iet s ALA 111 Cb 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 3iet s ALA 111 CO 0.00 -0.10 0.97 0.00 0.00 0.00 0.00 175.76 176.63 3iet s ALA 112 N 0.65 3.01 0.44 0.00 0.00 -1.26 -1.02 121.76 123.58 3iet s ALA 112 Ca -0.05 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 3iet s ALA 112 Cb -0.07 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 3iet s ALA 112 CO -0.03 0.01 1.15 -1.25 0.00 0.00 0.00 175.76 175.64 3iet s PRO 113 N -3.27 3.87 -0.23 0.00 0.05 -1.26 -4.52 135.00 129.63 3iet s PRO 113 Ca 0.63 1.75 -0.22 0.00 0.05 0.00 0.00 61.00 63.21 3iet s PRO 113 Cb -0.10 -2.47 -0.02 0.00 0.05 0.00 0.00 34.50 31.96 3iet s PRO 113 CO 0.16 -0.45 0.68 0.99 0.05 0.00 0.00 177.00 178.42 3iet s THR 114 N -1.54 4.96 -0.07 1.26 2.01 -0.68 -4.86 115.64 116.71 3iet s THR 114 Ca 0.62 1.26 -0.03 0.00 0.31 0.00 0.00 61.69 63.84 3iet s THR 114 Cb -0.28 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3iet s THR 114 CO 0.34 0.03 0.07 -0.69 -0.69 0.00 0.00 174.62 173.69 3iet s VAL 115 N 2.38 4.83 -0.03 3.82 1.01 -1.26 -1.13 120.40 130.02 3iet s VAL 115 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3iet s VAL 115 Cb -0.16 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.14 3iet s VAL 115 CO 0.09 0.54 0.01 -0.44 0.00 0.00 0.00 175.10 175.29 3iet s SER 116 N -1.18 0.33 0.03 3.32 0.01 -0.24 -4.96 113.70 111.02 3iet s SER 116 Ca 0.17 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.44 3iet s SER 116 Cb -0.12 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 3iet s SER 116 CO 0.06 -0.10 -0.02 -0.51 0.41 0.00 0.00 173.24 173.08 3iet s ILE 117 N 0.97 3.96 -0.08 1.44 2.07 -1.26 -0.45 121.20 127.85 3iet s ILE 117 Ca -0.09 -0.80 -0.02 0.00 -1.41 0.00 0.00 60.65 58.33 3iet s ILE 117 Cb -0.13 -2.80 0.03 0.00 0.13 0.00 0.00 42.46 39.69 3iet s ILE 117 CO -0.02 0.29 0.03 -0.36 -1.91 0.00 0.00 174.94 172.96 3iet s PHE 118 N -1.14 0.51 0.91 3.50 0.08 0.22 -4.97 117.98 117.08 3iet s PHE 118 Ca 0.21 -0.12 -0.10 0.00 0.12 0.00 0.00 56.93 57.03 3iet s PHE 118 Cb -0.11 -0.73 0.14 0.00 -0.57 0.00 0.00 43.02 41.75 3iet s PHE 118 CO 0.12 -0.33 1.13 -2.14 -0.10 0.00 0.00 175.22 173.91 3iet s PRO 119 N 2.03 1.03 0.51 0.24 0.02 -1.26 -1.15 135.00 136.42 3iet s PRO 119 Ca 0.04 1.43 -0.22 0.00 0.02 0.00 0.00 61.00 62.27 3iet s PRO 119 Cb -0.13 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 3iet s PRO 119 CO -0.05 -2.58 1.17 -2.30 -0.33 0.00 0.00 177.00 172.90 3iet n PRO 120 N -4.19 1.47 -2.55 5.54 -0.02 -1.16 -4.80 135.00 129.29 3iet n PRO 120 Ca 0.11 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 3iet n PRO 120 Cb 0.52 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3iet n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iet s SER 121 N -0.87 6.38 0.31 2.55 1.04 -1.26 -4.90 113.70 116.94 3iet s SER 121 Ca 0.68 1.93 0.05 0.00 0.48 0.00 0.00 55.95 59.10 3iet s SER 121 Cb -0.47 -2.56 0.83 0.00 0.10 0.00 0.00 66.02 63.93 3iet s SER 121 CO 0.52 -0.76 1.61 0.28 0.98 0.00 0.00 173.24 175.88 3iet h SER 122 N 1.63 -0.10 -0.61 7.02 0.02 -1.99 -1.33 113.55 118.18 3iet h SER 122 Ca -0.49 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3iet h SER 122 Cb 1.22 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 64.07 3iet h SER 122 CO 0.59 -0.26 0.21 -0.33 -1.14 0.00 0.00 176.83 175.90 3iet h GLU 123 N 0.11 0.94 -0.20 3.45 3.07 -1.98 -0.11 114.58 119.87 3iet h GLU 123 Ca 0.62 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.36 59.17 3iet h GLU 123 Cb 1.34 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3iet h GLU 123 CO -0.76 0.83 -0.33 0.37 -1.40 0.00 0.00 179.01 177.71 3iet h GLN 124 N 0.87 0.57 -0.22 2.33 4.15 -1.66 -2.79 115.11 118.36 3iet h GLN 124 Ca 0.20 -0.35 0.04 0.00 0.77 0.00 0.00 58.65 59.31 3iet h GLN 124 Cb 0.26 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 3iet h GLN 124 CO -0.01 0.96 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.72 3iet h LEU 125 N 0.25 -0.22 -0.34 -2.39 3.38 -1.00 -0.67 115.31 114.31 3iet h LEU 125 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iet h LEU 125 Cb 0.92 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3iet h LEU 125 CO 0.08 -0.08 0.00 0.35 0.09 0.00 0.00 178.44 178.88 3iet n THR 126 N -5.21 0.94 1.24 0.22 -2.24 -0.08 0.75 114.28 109.90 3iet n THR 126 Ca -0.02 0.25 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 3iet n THR 126 Cb 0.14 -1.09 0.35 0.00 -2.10 0.00 0.00 70.33 67.62 3iet n THR 126 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3iet n SER 127 N -1.85 1.20 -0.59 3.42 3.41 -0.38 -4.96 113.62 113.87 3iet n SER 127 Ca 0.03 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 3iet n SER 127 Cb 0.19 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3iet n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iet n GLY 128 N 1.33 0.79 3.31 5.00 0.00 0.23 -5.07 105.19 110.78 3iet n GLY 128 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 3iet n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iet s GLY 129 N -2.85 0.40 -0.18 -0.02 0.00 -0.82 -4.04 107.32 99.81 3iet s GLY 129 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.85 3iet s GLY 129 CO 0.00 -0.83 0.27 0.00 0.00 0.00 0.00 173.10 172.53 3iet s ALA 130 N -3.95 -0.53 -0.05 3.20 0.00 -0.66 -3.14 121.76 116.63 3iet s ALA 130 Ca 0.15 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3iet s ALA 130 Cb 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3iet s ALA 130 CO -0.02 -0.95 -0.25 -1.12 0.00 0.00 0.00 175.76 173.42 3iet s SER 131 N 2.41 3.11 -0.08 0.00 0.01 -1.26 0.48 113.70 118.36 3iet s SER 131 Ca 0.05 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.83 3iet s SER 131 Cb -0.14 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 3iet s SER 131 CO -0.11 0.25 -0.11 -0.69 0.41 0.00 0.00 173.24 173.00 3iet s VAL 132 N -0.22 3.35 -0.03 3.43 1.01 0.29 -2.99 120.40 125.24 3iet s VAL 132 Ca -0.02 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3iet s VAL 132 Cb -0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3iet s VAL 132 CO 0.03 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.78 3iet s VAL 133 N -0.42 1.89 -0.07 2.92 1.01 -0.30 -1.29 120.40 124.14 3iet s VAL 133 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3iet s VAL 133 Cb -0.12 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.70 3iet s VAL 133 CO 0.02 0.53 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 3iet s PHE 135 N 1.09 3.15 -0.35 0.00 2.99 0.40 -1.03 117.98 124.23 3iet s PHE 135 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 56.93 56.77 3iet s PHE 135 Cb -0.14 -2.01 0.09 0.00 0.00 0.00 0.00 43.02 40.96 3iet s PHE 135 CO -0.01 0.08 0.08 -0.51 -0.00 0.00 0.00 175.22 174.86 3iet s LEU 136 N 0.33 4.69 -0.08 -0.37 1.02 0.58 -1.08 118.68 123.77 3iet s LEU 136 Ca -0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 54.13 52.20 3iet s LEU 136 Cb -0.13 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.35 3iet s LEU 136 CO 0.01 -0.40 -0.03 0.20 0.02 0.00 0.00 176.35 176.15 3iet s ASN 137 N 1.26 4.95 -1.15 2.29 0.02 -0.28 -0.50 114.94 121.53 3iet s ASN 137 Ca 0.06 0.06 -0.05 0.00 -1.02 0.00 0.00 52.86 51.91 3iet s ASN 137 Cb -0.20 -1.34 -0.03 0.00 0.02 0.00 0.00 41.25 39.70 3iet s ASN 137 CO -0.06 0.37 0.89 0.59 0.02 0.00 0.00 177.10 178.91 3iet n ASN 138 N 2.21 -4.24 -4.77 -1.22 4.13 -0.75 -1.69 115.26 108.92 3iet n ASN 138 Ca -0.18 -0.74 -0.22 0.00 1.68 0.00 0.00 54.58 55.11 3iet n ASN 138 Cb 0.53 -4.77 -0.05 0.00 -1.54 0.00 0.00 39.78 33.95 3iet n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3iet s PHE 139 N -3.44 2.86 -0.27 3.10 -0.71 -0.22 -4.57 117.98 114.74 3iet s PHE 139 Ca 0.25 -0.26 -0.24 0.00 -1.04 0.00 0.00 56.93 55.65 3iet s PHE 139 Cb -0.05 -1.53 0.07 0.00 -1.21 0.00 0.00 43.02 40.30 3iet s PHE 139 CO 0.76 0.40 0.71 -0.47 -1.34 0.00 0.00 175.22 175.29 3iet s TYR 140 N -2.30 -0.82 0.00 3.49 6.14 -0.19 -1.01 117.35 122.66 3iet s TYR 140 Ca 0.36 1.94 0.00 0.00 0.64 0.00 0.00 57.07 60.01 3iet s TYR 140 Cb -0.06 0.31 0.00 0.00 0.42 0.00 0.00 41.96 42.64 3iet s TYR 140 CO 0.24 -0.40 0.00 -0.35 0.64 0.00 0.00 175.55 175.68 3iet n PRO 141 N 2.90 0.20 0.06 4.97 -0.04 -1.26 -0.21 135.00 141.61 3iet n PRO 141 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 3iet n PRO 141 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.89 3iet n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3iet h LYS 142 N 0.00 0.02 -6.66 0.54 1.63 -1.99 -3.46 116.57 106.66 3iet h LYS 142 Ca 0.00 -0.03 -0.52 0.00 -0.85 0.00 0.00 60.65 59.25 3iet h LYS 142 Cb 0.00 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3iet h LYS 142 CO 0.00 0.97 0.54 -0.51 -3.45 0.00 0.00 179.45 177.01 3iet s ASP 143 N -6.69 7.11 -0.00 4.20 1.11 -1.26 -5.02 116.67 116.13 3iet s ASP 143 Ca 0.00 2.21 -0.20 0.00 0.18 0.00 0.00 52.55 54.74 3iet s ASP 143 Cb 0.10 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.52 3iet s ASP 143 CO 0.82 -0.35 0.43 -0.51 1.18 0.00 0.00 175.17 176.75 3iet s ILE 144 N -0.09 0.04 -0.08 0.77 2.07 -1.26 -4.63 121.20 118.03 3iet s ILE 144 Ca 0.52 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 59.43 3iet s ILE 144 Cb -0.32 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.45 3iet s ILE 144 CO 0.36 -0.20 -0.15 0.20 -1.91 0.00 0.00 174.94 173.25 3iet s ASN 145 N -1.55 2.16 -0.17 4.50 0.01 -0.56 -5.00 114.94 114.34 3iet s ASN 145 Ca -0.10 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.66 3iet s ASN 145 Cb -0.02 -0.99 -0.01 0.00 0.41 0.00 0.00 41.25 40.64 3iet s ASN 145 CO 0.03 0.05 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.89 3iet s VAL 146 N 0.70 3.26 -0.15 1.60 1.01 -1.26 -0.61 120.40 124.96 3iet s VAL 146 Ca -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3iet s VAL 146 Cb -0.16 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3iet s VAL 146 CO 0.03 0.48 -0.13 -0.54 0.00 0.00 0.00 175.10 174.95 3iet s LYS 147 N 0.78 3.32 -0.13 2.72 1.02 0.57 -4.96 119.74 123.07 3iet s LYS 147 Ca -0.03 -0.70 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 3iet s LYS 147 Cb -0.15 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 3iet s LYS 147 CO 0.01 0.11 0.45 -1.58 -0.92 0.00 0.00 175.35 173.42 3iet s TRP 148 N 0.61 3.50 -0.13 3.18 0.52 -1.26 -0.34 118.94 125.02 3iet s TRP 148 Ca -0.08 0.84 0.02 0.00 0.02 0.00 0.00 56.10 56.90 3iet s TRP 148 Cb -0.16 -2.52 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 3iet s TRP 148 CO 0.03 0.17 -0.18 0.15 0.02 0.00 0.00 176.95 177.14 3iet s LYS 149 N 0.62 2.59 -0.25 4.98 1.02 0.04 -0.37 119.74 128.37 3iet s LYS 149 Ca 0.24 -0.69 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 3iet s LYS 149 Cb -0.15 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3iet s LYS 149 CO 0.09 -0.09 0.10 0.42 -0.92 0.00 0.00 175.35 174.95 3iet s ILE 150 N 1.05 4.55 -1.48 2.17 1.01 0.27 -0.73 121.20 128.04 3iet s ILE 150 Ca -0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 3iet s ILE 150 Cb -0.15 -3.14 0.06 0.00 0.01 0.00 0.00 42.46 39.25 3iet s ILE 150 CO -0.04 0.33 0.93 0.47 0.00 0.00 0.00 174.94 176.62 3iet n ASP 151 N 4.89 -4.10 0.00 3.58 10.43 0.16 -1.37 116.55 130.14 3iet n ASP 151 Ca -0.16 -0.78 0.00 0.00 2.57 0.00 0.00 54.79 56.42 3iet n ASP 151 Cb 0.52 -3.96 0.00 0.00 1.84 0.00 0.00 41.12 39.51 3iet n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3iet n GLY 152 N -1.69 3.00 3.71 0.44 0.00 -1.26 -4.99 105.19 104.41 3iet n GLY 152 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3iet n GLY 152 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iet s SER 153 N -1.39 6.45 0.37 1.61 0.15 -0.47 -4.94 113.70 115.48 3iet s SER 153 Ca 0.00 0.53 -0.27 0.00 0.70 0.00 0.00 55.95 56.90 3iet s SER 153 Cb 0.00 -2.20 -0.11 0.00 -1.71 0.00 0.00 66.02 62.00 3iet s SER 153 CO 0.00 0.05 1.36 1.21 1.20 0.00 0.00 173.24 177.06 3iet n GLU 154 N 3.80 2.28 -3.77 5.44 2.13 -1.26 -0.56 120.64 128.70 3iet n GLU 154 Ca -0.11 0.80 -0.27 0.00 0.66 0.00 0.00 57.16 58.24 3iet n GLU 154 Cb 0.52 -2.47 -0.17 0.00 0.27 0.00 0.00 31.44 29.59 3iet n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3iet s ARG 155 N -2.05 0.79 0.00 5.31 6.06 0.50 -4.81 118.95 124.75 3iet s ARG 155 Ca 0.56 -0.37 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 3iet s ARG 155 Cb -0.52 -1.93 0.01 0.00 0.06 0.00 0.00 34.95 32.58 3iet s ARG 155 CO 0.62 -0.55 0.51 0.00 -2.50 0.00 0.00 175.30 173.37 3iet n GLN 156 N 5.03 0.18 -3.94 5.12 10.64 -1.26 -4.27 117.38 128.88 3iet n GLN 156 Ca -0.09 -0.55 -0.31 0.00 -1.83 0.00 0.00 57.00 54.22 3iet n GLN 156 Cb 0.48 -0.99 -0.04 0.00 -0.86 0.00 0.00 30.24 28.83 3iet n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3iet s ASN 157 N -0.31 6.24 0.00 2.61 -0.87 -1.26 -4.49 114.94 116.87 3iet s ASN 157 Ca 0.02 0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 3iet s ASN 157 Cb 0.02 -1.90 0.00 0.00 -0.02 0.00 0.00 41.25 39.35 3iet s ASN 157 CO 0.03 0.18 0.00 0.61 -2.57 0.00 0.00 177.10 175.35 3iet n GLY 158 N 0.38 0.43 3.66 0.66 0.00 -1.26 -4.82 105.19 104.24 3iet n GLY 158 Ca -0.06 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3iet n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iet s VAL 159 N -2.00 4.79 -0.14 1.61 1.01 -1.26 -0.78 120.40 123.64 3iet s VAL 159 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3iet s VAL 159 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3iet s VAL 159 CO 0.00 0.49 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 3iet s LEU 160 N 0.08 2.08 0.08 3.92 1.43 0.08 -4.95 118.68 121.40 3iet s LEU 160 Ca 0.05 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3iet s LEU 160 Cb -0.12 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3iet s LEU 160 CO 0.01 0.08 -0.15 0.20 0.23 0.00 0.00 176.35 176.71 3iet s ASN 161 N 0.81 4.04 -0.20 2.29 0.02 -1.26 -1.02 114.94 119.63 3iet s ASN 161 Ca -0.07 -0.44 -0.09 0.00 -1.02 0.00 0.00 52.86 51.24 3iet s ASN 161 Cb -0.16 -0.68 0.08 0.00 0.02 0.00 0.00 41.25 40.51 3iet s ASN 161 CO -0.02 0.21 0.46 -0.55 0.02 0.00 0.00 177.10 177.22 3iet s SER 162 N -1.87 -0.50 -0.04 -1.22 0.15 -0.46 -4.99 113.70 104.77 3iet s SER 162 Ca 0.18 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.83 3iet s SER 162 Cb -0.11 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 3iet s SER 162 CO 0.09 -0.21 0.10 0.26 1.20 0.00 0.00 173.24 174.68 3iet s TRP 163 N 1.95 3.39 0.82 3.44 0.51 -1.26 -0.87 118.94 126.92 3iet s TRP 163 Ca -0.07 0.30 -0.12 0.00 -2.12 0.00 0.00 56.10 54.10 3iet s TRP 163 Cb -0.10 -1.80 0.09 0.00 -0.81 0.00 0.00 33.47 30.85 3iet s TRP 163 CO -0.14 0.60 1.13 0.95 -0.51 0.00 0.00 176.95 178.99 3iet s THR 164 N -1.15 2.48 0.95 2.01 -4.23 -0.03 -4.99 115.64 110.67 3iet s THR 164 Ca 0.21 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 3iet s THR 164 Cb -0.12 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.86 3iet s THR 164 CO 0.12 -0.20 1.14 -1.81 -0.54 0.00 0.00 174.62 173.32 3iet s ASP 165 N -4.22 3.13 0.23 3.99 1.01 -1.26 -4.68 116.67 114.88 3iet s ASP 165 Ca 0.62 0.93 -0.30 0.00 0.71 0.00 0.00 52.55 54.51 3iet s ASP 165 Cb -0.13 -1.47 -0.10 0.00 1.01 0.00 0.00 42.92 42.23 3iet s ASP 165 CO 0.52 -2.78 1.47 -1.58 0.21 0.00 0.00 175.17 173.01 3iet s GLN 166 N -5.27 4.25 -0.40 8.23 0.74 -1.26 -4.69 119.66 121.26 3iet s GLN 166 Ca 0.65 2.33 -0.23 0.00 0.05 0.00 0.00 55.36 58.16 3iet s GLN 166 Cb -0.14 -3.11 0.02 0.00 1.10 0.00 0.00 33.01 30.87 3iet s GLN 166 CO 0.54 -0.47 0.79 0.34 -0.55 0.00 0.00 175.29 175.94 3iet s ASP 167 N 0.53 6.49 0.62 6.67 2.15 -0.34 -4.93 116.67 127.87 3iet s ASP 167 Ca 0.62 0.17 0.34 0.00 0.43 0.00 0.00 52.55 54.10 3iet s ASP 167 Cb -0.42 -2.39 1.95 0.00 -0.30 0.00 0.00 42.92 41.75 3iet s ASP 167 CO 0.41 -0.81 2.24 0.77 -0.17 0.00 0.00 175.17 177.60 3iet h SER 168 N 8.70 0.00 -0.78 -0.34 4.64 -1.89 0.60 113.55 124.48 3iet h SER 168 Ca -0.25 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3iet h SER 168 Cb 1.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 3iet h SER 168 CO 0.93 0.00 0.50 0.11 -0.87 0.00 0.00 176.83 177.51 3iet h LYS 169 N 0.00 0.97 0.00 4.77 1.57 -1.93 -3.35 116.57 118.60 3iet h LYS 169 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3iet h LYS 169 Cb 0.15 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3iet h LYS 169 CO -0.00 0.64 0.00 -0.40 -0.57 0.00 0.00 179.45 179.12 3iet n ASP 170 N -4.58 0.25 -0.66 0.86 3.85 -1.00 -5.02 116.55 110.25 3iet n ASP 170 Ca 0.08 -1.07 -0.09 0.00 -0.71 0.00 0.00 54.79 53.01 3iet n ASP 170 Cb 0.06 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.79 3iet n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3iet n SER 171 N -0.04 -4.71 -5.01 -1.12 7.64 0.21 -5.01 113.62 105.58 3iet n SER 171 Ca 0.00 0.21 -0.17 0.00 1.01 0.00 0.00 58.87 59.92 3iet n SER 171 Cb 0.31 -2.97 0.01 0.00 -1.01 0.00 0.00 64.21 60.54 3iet n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iet s THR 172 N -2.10 2.99 0.22 0.44 -4.23 -1.24 -4.73 115.64 107.00 3iet s THR 172 Ca 0.00 -0.99 0.09 0.00 -1.18 0.00 0.00 61.69 59.61 3iet s THR 172 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 3iet s THR 172 CO 0.00 0.00 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.71 3iet s TYR 173 N -2.36 2.65 0.22 3.99 1.51 -0.18 -1.20 117.35 121.99 3iet s TYR 173 Ca 0.55 -0.22 0.06 0.00 -1.01 0.00 0.00 57.07 56.44 3iet s TYR 173 Cb -0.10 -1.23 -0.05 0.00 -0.11 0.00 0.00 41.96 40.47 3iet s TYR 173 CO 0.33 0.57 -0.07 -1.12 -1.11 0.00 0.00 175.55 174.15 3iet s SER 174 N -3.24 2.27 -0.13 2.29 0.01 -1.26 -1.06 113.70 112.58 3iet s SER 174 Ca 0.28 -1.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 3iet s SER 174 Cb -0.08 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.11 3iet s SER 174 CO 0.17 -0.34 0.34 -0.32 0.41 0.00 0.00 173.24 173.50 3iet s MET 175 N -3.75 0.39 -0.02 12.44 1.75 0.34 -0.85 119.30 129.60 3iet s MET 175 Ca 0.25 0.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.22 3iet s MET 175 Cb 0.03 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.86 3iet s MET 175 CO 0.08 -0.05 -0.16 0.45 -0.65 0.00 0.00 175.02 174.68 3iet s SER 176 N 0.25 1.91 -0.08 1.11 0.15 -0.05 -0.31 113.70 116.70 3iet s SER 176 Ca -0.01 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3iet s SER 176 Cb -0.03 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3iet s SER 176 CO -0.00 0.18 -0.08 -0.55 1.20 0.00 0.00 173.24 174.00 3iet s SER 177 N -0.28 1.70 -0.20 5.45 0.15 -0.19 -1.36 113.70 118.97 3iet s SER 177 Ca 0.04 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.46 3iet s SER 177 Cb -0.07 -0.71 0.04 0.00 -1.71 0.00 0.00 66.02 63.57 3iet s SER 177 CO -0.00 -0.06 -0.10 -0.89 1.20 0.00 0.00 173.24 173.39 3iet s THR 178 N 1.21 1.65 -0.26 6.45 2.01 -0.19 -0.96 115.64 125.55 3iet s THR 178 Ca -0.05 -1.03 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 3iet s THR 178 Cb -0.14 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3iet s THR 178 CO -0.02 0.16 0.31 -0.22 -0.69 0.00 0.00 174.62 174.16 3iet s LEU 179 N 1.39 4.06 -0.16 4.42 2.96 -0.41 -0.74 118.68 130.20 3iet s LEU 179 Ca -0.02 0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3iet s LEU 179 Cb -0.16 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 3iet s LEU 179 CO -0.08 -0.11 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.88 3iet s THR 180 N 1.75 3.49 0.23 3.68 2.01 0.04 -0.55 115.64 126.30 3iet s THR 180 Ca 0.13 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3iet s THR 180 Cb -0.15 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3iet s THR 180 CO 0.09 0.49 0.01 -0.76 -0.69 0.00 0.00 174.62 173.76 3iet s LEU 181 N 0.60 2.11 0.61 4.42 1.43 0.18 -4.77 118.68 123.26 3iet s LEU 181 Ca -0.04 -1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 51.64 3iet s LEU 181 Cb -0.15 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 3iet s LEU 181 CO 0.03 -0.55 1.15 0.42 0.23 0.00 0.00 176.35 177.62 3iet s THR 182 N -3.48 2.98 0.21 5.49 -4.23 -1.26 -1.65 115.64 113.70 3iet s THR 182 Ca 0.30 0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 3iet s THR 182 Cb 0.06 -3.14 0.15 0.00 1.34 0.00 0.00 72.50 70.92 3iet s THR 182 CO 0.09 -0.20 1.80 0.50 -0.54 0.00 0.00 174.62 176.27 3iet h LYS 183 N 0.59 0.64 -0.65 3.99 3.64 -1.80 -0.68 116.57 122.29 3iet h LYS 183 Ca -0.49 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3iet h LYS 183 Cb 1.27 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3iet h LYS 183 CO 0.55 0.42 0.21 -0.44 -2.27 0.00 0.00 179.45 177.91 3iet h ASP 184 N 0.66 0.91 -0.55 4.20 3.45 -1.92 0.31 116.42 123.49 3iet h ASP 184 Ca 0.31 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.50 3iet h ASP 184 Cb 0.24 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3iet h ASP 184 CO -0.21 0.85 -0.11 -0.08 -1.57 0.00 0.00 179.24 178.13 3iet h GLU 185 N 0.95 1.04 -0.75 3.56 4.57 -1.83 -2.19 114.58 119.94 3iet h GLU 185 Ca 0.21 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 3iet h GLU 185 Cb 0.27 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3iet h GLU 185 CO -0.01 1.08 0.40 -0.92 -1.18 0.00 0.00 179.01 178.38 3iet h TYR 186 N 0.92 1.04 -0.00 0.92 3.20 -0.45 -2.31 116.97 120.29 3iet h TYR 186 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3iet h TYR 186 Cb 0.68 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3iet h TYR 186 CO 0.05 0.74 -0.01 0.39 -1.64 0.00 0.00 178.16 177.70 3iet n GLU 187 N -4.44 0.70 0.00 1.82 1.02 0.04 -2.76 120.64 117.01 3iet n GLU 187 Ca 0.07 -0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.31 3iet n GLU 187 Cb 0.10 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.43 3iet n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iet n ARG 188 N -1.13 0.17 -4.42 3.49 1.74 -0.83 -4.91 116.66 110.77 3iet n ARG 188 Ca 0.19 -0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 3iet n ARG 188 Cb 0.19 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3iet n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3iet s HIS 189 N -2.88 1.77 0.00 -1.55 3.76 -1.11 -5.09 115.29 110.19 3iet s HIS 189 Ca 0.15 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 3iet s HIS 189 Cb 0.18 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.76 3iet s HIS 189 CO 0.61 -0.20 0.00 0.27 -0.85 0.00 0.00 174.74 174.57 3iet n ASN 190 N -0.78 0.00 -4.59 1.40 0.23 -1.26 -4.82 115.26 105.44 3iet n ASN 190 Ca -0.02 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.64 3iet n ASN 190 Cb 0.66 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.27 3iet n ASN 190 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3iet s SER 191 N 0.00 6.23 -0.12 0.53 0.15 -1.26 0.33 113.70 119.56 3iet s SER 191 Ca 0.00 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.84 3iet s SER 191 Cb 0.00 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.12 3iet s SER 191 CO 0.00 -0.22 -0.16 -0.31 1.20 0.00 0.00 173.24 173.75 3iet s TYR 192 N 2.07 2.09 -0.05 3.44 1.51 -0.35 0.37 117.35 126.44 3iet s TYR 192 Ca 0.14 -1.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 3iet s TYR 192 Cb -0.16 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3iet s TYR 192 CO 0.10 -0.52 -0.09 0.99 -1.11 0.00 0.00 175.55 174.92 3iet s THR 193 N 1.04 0.85 -0.26 -0.71 2.01 0.09 -1.47 115.64 117.18 3iet s THR 193 Ca -0.05 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 3iet s THR 193 Cb -0.15 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.59 3iet s THR 193 CO -0.03 0.28 -0.01 0.00 -0.69 0.00 0.00 174.62 174.17 3iet s GLU 195 N 1.39 3.36 -0.25 0.00 2.02 0.53 -2.06 118.70 123.69 3iet s GLU 195 Ca 0.01 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 3iet s GLU 195 Cb -0.17 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3iet s GLU 195 CO -0.02 -0.11 0.01 0.00 0.02 0.00 0.00 175.26 175.16 3iet s ALA 196 N 1.21 2.91 -0.21 5.21 0.00 0.33 -0.31 121.76 130.89 3iet s ALA 196 Ca 0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.58 3iet s ALA 196 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3iet s ALA 196 CO -0.02 -0.69 0.09 0.99 0.00 0.00 0.00 175.76 176.13 3iet s THR 197 N 1.47 4.83 0.01 0.00 2.01 0.22 -0.39 115.64 123.78 3iet s THR 197 Ca 0.04 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 3iet s THR 197 Cb -0.16 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 3iet s THR 197 CO -0.01 0.40 0.09 -2.28 -0.69 0.00 0.00 174.62 172.13 3iet s HIS 198 N 0.82 0.10 0.30 4.92 5.04 -1.26 -1.49 115.29 123.71 3iet s HIS 198 Ca 0.05 -0.23 0.11 0.00 -1.54 0.00 0.00 55.06 53.45 3iet s HIS 198 Cb -0.13 -0.08 0.95 0.00 0.04 0.00 0.00 32.58 33.35 3iet s HIS 198 CO 0.02 -0.25 1.35 1.17 -2.34 0.00 0.00 174.74 174.70 3iet n LYS 199 N 1.56 -0.06 0.17 2.88 0.00 -1.26 -1.67 118.16 119.78 3iet n LYS 199 Ca -0.23 1.23 0.12 0.00 0.00 0.00 0.00 58.31 59.43 3iet n LYS 199 Cb 0.56 -2.09 0.62 0.00 0.00 0.00 0.00 35.03 34.11 3iet n LYS 199 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3iet h THR 200 N 0.00 0.00 -2.69 3.15 1.35 -1.91 -3.42 112.91 109.39 3iet h THR 200 Ca 0.64 -0.05 -0.08 0.00 -0.55 0.00 0.00 66.41 66.38 3iet h THR 200 Cb 1.57 0.62 -0.18 0.00 -1.73 0.00 0.00 68.15 68.43 3iet h THR 200 CO -0.72 0.00 -0.02 -0.55 -0.25 0.00 0.00 175.52 173.97 3iet s SER 201 N -4.17 -0.41 0.41 5.36 0.15 -0.67 -5.02 113.70 109.35 3iet s SER 201 Ca -0.01 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.12 3iet s SER 201 Cb 0.07 0.45 0.40 0.00 -1.71 0.00 0.00 66.02 65.23 3iet s SER 201 CO 0.25 -0.62 1.63 0.71 1.20 0.00 0.00 173.24 176.41 3iet h THR 202 N 3.13 0.00 -3.30 6.45 1.35 -1.83 -3.39 112.91 115.32 3iet h THR 202 Ca -0.30 -0.93 -0.62 0.00 -0.55 0.00 0.00 66.41 64.01 3iet h THR 202 Cb 1.18 1.93 -0.18 0.00 -1.73 0.00 0.00 68.15 69.35 3iet h THR 202 CO 0.41 0.00 -0.60 -0.94 -0.25 0.00 0.00 175.52 174.14 3iet s SER 203 N -5.99 5.34 0.58 5.36 1.04 -1.26 -5.05 113.70 113.72 3iet s SER 203 Ca 0.07 0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.31 3iet s SER 203 Cb 0.06 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3iet s SER 203 CO 0.66 0.17 1.30 -0.81 0.98 0.00 0.00 173.24 175.54 3iet n PRO 204 N 3.56 1.45 -2.74 4.02 -0.04 -1.26 -4.91 135.00 135.06 3iet n PRO 204 Ca -0.17 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 3iet n PRO 204 Cb 0.52 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.42 3iet n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3iet s ILE 205 N -1.33 4.46 -0.08 0.52 1.01 0.47 -4.85 121.20 121.40 3iet s ILE 205 Ca 0.75 2.06 0.01 0.00 0.00 0.00 0.00 60.65 63.47 3iet s ILE 205 Cb -0.41 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 37.76 3iet s ILE 205 CO 0.46 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.95 3iet s VAL 206 N -0.14 1.07 0.03 2.92 1.01 -1.26 -0.51 120.40 123.51 3iet s VAL 206 Ca 0.46 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3iet s VAL 206 Cb -0.23 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3iet s VAL 206 CO 0.30 0.35 -0.20 -0.54 0.00 0.00 0.00 175.10 175.02 3iet s LYS 207 N 1.05 1.38 0.10 2.72 3.01 -0.88 -5.03 119.74 122.10 3iet s LYS 207 Ca -0.07 -0.86 -0.12 0.00 -1.01 0.00 0.00 55.97 53.90 3iet s LYS 207 Cb -0.15 -1.44 0.02 0.00 -1.01 0.00 0.00 37.83 35.25 3iet s LYS 207 CO -0.01 0.37 0.29 -1.12 0.51 0.00 0.00 175.35 175.39 3iet s SER 208 N -1.00 -0.05 0.24 2.83 0.01 -1.26 -0.95 113.70 113.51 3iet s SER 208 Ca 0.07 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.84 3iet s SER 208 Cb -0.08 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 3iet s SER 208 CO 0.01 -0.78 0.14 0.72 0.41 0.00 0.00 173.24 173.73 3iet s PHE 209 N -3.81 1.35 -0.06 2.43 -0.12 -0.54 -5.01 117.98 112.22 3iet s PHE 209 Ca 0.04 -1.35 0.00 0.00 -0.05 0.00 0.00 56.93 55.57 3iet s PHE 209 Cb 0.03 -0.69 0.02 0.00 -0.63 0.00 0.00 43.02 41.76 3iet s PHE 209 CO -0.11 -0.57 -0.03 1.21 -0.05 0.00 0.00 175.22 175.66 3iet s ASN 210 N -3.24 1.30 0.45 1.98 3.84 -1.24 -1.21 114.94 116.81 3iet s ASN 210 Ca 0.38 -0.13 0.12 0.00 0.21 0.00 0.00 52.86 53.44 3iet s ASN 210 Cb 0.07 -0.49 1.02 0.00 -0.55 0.00 0.00 41.25 41.30 3iet s ASN 210 CO 0.14 -0.11 2.06 0.03 -2.79 0.00 0.00 177.10 176.44 3iet h ARG 211 N 7.67 0.21 0.00 0.43 3.08 -0.44 -3.49 114.38 121.85 3iet h ARG 211 Ca -0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3iet h ARG 211 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3iet h ARG 211 CO 0.39 0.20 0.00 -0.85 -1.07 0.00 0.00 179.97 178.64