#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iet n ILE 2 N 0.00 -8.96 -3.24 2.12 5.41 -1.26 -4.87 119.36 108.55 3iet n ILE 2 Ca 0.00 1.54 -0.39 0.00 1.00 0.00 0.00 62.75 64.90 3iet n ILE 2 Cb 0.00 -5.62 -0.06 0.00 -0.71 0.00 0.00 39.64 33.25 3iet n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iet s GLN 3 N -0.89 4.29 -0.16 0.38 1.03 -1.26 -4.82 119.66 118.23 3iet s GLN 3 Ca -0.11 0.66 -0.07 0.00 0.04 0.00 0.00 55.36 55.88 3iet s GLN 3 Cb 0.01 -3.35 -0.04 0.00 0.03 0.00 0.00 33.01 29.65 3iet s GLN 3 CO 0.50 0.34 0.08 -0.51 -2.54 0.00 0.00 175.29 173.16 3iet s LEU 4 N -0.06 3.95 -0.16 2.60 1.02 -1.26 -0.62 118.68 124.15 3iet s LEU 4 Ca 0.30 0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.63 3iet s LEU 4 Cb -0.17 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 3iet s LEU 4 CO 0.16 0.25 -0.12 -0.89 0.02 0.00 0.00 176.35 175.77 3iet s THR 5 N -0.11 2.95 0.06 5.49 2.01 0.10 -4.21 115.64 121.94 3iet s THR 5 Ca 0.08 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.42 3iet s THR 5 Cb -0.12 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3iet s THR 5 CO 0.01 0.50 0.09 -1.10 -0.69 0.00 0.00 174.62 173.43 3iet s GLN 6 N 0.76 2.98 -0.24 4.92 -0.21 -1.26 -1.19 119.66 125.41 3iet s GLN 6 Ca -0.05 -0.62 -0.16 0.00 0.02 0.00 0.00 55.36 54.55 3iet s GLN 6 Cb -0.15 -2.79 0.07 0.00 1.00 0.00 0.00 33.01 31.14 3iet s GLN 6 CO 0.01 0.59 0.61 -0.08 -2.12 0.00 0.00 175.29 174.30 3iet s THR 7 N -1.36 -0.01 0.52 -0.19 -1.32 -0.88 -4.65 115.64 107.76 3iet s THR 7 Ca 0.28 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.71 3iet s THR 7 Cb -0.12 -0.88 0.12 0.00 -1.51 0.00 0.00 72.50 70.10 3iet s THR 7 CO 0.21 0.01 0.71 -0.81 -2.21 0.00 0.00 174.62 172.53 3iet n PRO 8 N 3.84 -0.50 -0.00 7.08 -0.04 -1.26 -1.11 135.00 143.01 3iet n PRO 8 Ca -0.19 -1.27 -0.17 0.00 -0.04 0.00 0.00 63.50 61.83 3iet n PRO 8 Cb 0.57 -0.68 -0.11 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.46 -8.80 1.53 4.07 -1.87 -3.43 115.31 107.27 3iet h LEU 9 Ca -0.23 -0.76 -0.49 0.00 0.08 0.00 0.00 57.88 56.48 3iet h LEU 9 Cb 0.68 -0.14 -0.17 0.00 1.08 0.00 0.00 40.66 42.11 3iet h LEU 9 CO 0.18 1.16 -0.77 -0.44 -1.08 0.00 0.00 178.44 177.50 3iet s SER 10 N -6.65 2.54 -0.21 -0.43 0.01 -1.26 -1.53 113.70 106.17 3iet s SER 10 Ca -0.14 -0.88 -0.04 0.00 1.31 0.00 0.00 55.95 56.20 3iet s SER 10 Cb 0.03 -0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.21 3iet s SER 10 CO 0.80 -0.08 0.20 -0.22 0.41 0.00 0.00 173.24 174.36 3iet s LEU 11 N -2.74 -0.01 0.23 2.44 2.96 0.82 -4.91 118.68 117.47 3iet s LEU 11 Ca 0.16 -0.40 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 3iet s LEU 11 Cb -0.05 0.25 -0.09 0.00 0.50 0.00 0.00 46.19 46.81 3iet s LEU 11 CO 0.06 -0.34 0.81 -2.16 -1.32 0.00 0.00 176.35 173.39 3iet s PRO 12 N 2.29 4.48 -0.11 0.98 0.05 -1.26 -0.06 135.00 141.37 3iet s PRO 12 Ca 0.06 1.11 -0.17 0.00 0.05 0.00 0.00 61.00 62.05 3iet s PRO 12 Cb -0.16 -3.02 0.04 0.00 0.05 0.00 0.00 34.50 31.41 3iet s PRO 12 CO -0.15 0.44 0.44 0.54 0.05 0.00 0.00 177.00 178.32 3iet s VAL 13 N -1.39 0.02 0.40 -0.36 0.11 0.17 -4.89 120.40 114.46 3iet s VAL 13 Ca 0.42 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.14 3iet s VAL 13 Cb -0.20 -0.68 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 3iet s VAL 13 CO 0.24 -0.08 0.89 -0.44 -3.33 0.00 0.00 175.10 172.38 3iet s SER 14 N -0.40 6.87 0.46 3.54 0.01 -1.26 0.08 113.70 122.99 3iet s SER 14 Ca -0.05 1.56 -0.24 0.00 1.31 0.00 0.00 55.95 58.52 3iet s SER 14 Cb -0.03 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 3iet s SER 14 CO 0.03 -0.33 1.30 0.18 0.41 0.00 0.00 173.24 174.83 3iet n LEU 15 N -0.62 4.43 0.00 2.44 4.77 -1.26 -1.96 117.00 124.80 3iet n LEU 15 Ca 0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3iet n LEU 15 Cb 0.54 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3iet n LEU 15 CO 0.39 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3iet n GLY 16 N 0.79 2.75 3.94 -0.72 0.00 -0.17 -4.89 105.19 106.89 3iet n GLY 16 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.22 5.89 0.16 1.61 -0.00 -0.83 -3.90 116.67 116.39 3iet s ASP 17 Ca 0.00 0.44 -0.20 0.00 -0.00 0.00 0.00 52.55 52.79 3iet s ASP 17 Cb 0.00 -1.69 -0.08 0.00 -0.00 0.00 0.00 42.92 41.15 3iet s ASP 17 CO 0.00 -0.70 0.68 -1.58 -0.00 0.00 0.00 175.17 173.57 3iet s GLN 18 N -4.62 4.29 0.08 8.23 0.74 -1.26 -1.94 119.66 125.18 3iet s GLN 18 Ca 0.48 0.87 0.08 0.00 0.05 0.00 0.00 55.36 56.84 3iet s GLN 18 Cb -0.10 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 3iet s GLN 18 CO 0.40 0.51 -0.20 0.00 -0.55 0.00 0.00 175.29 175.44 3iet s ALA 19 N -1.32 2.54 -0.05 1.58 0.00 -0.02 -4.97 121.76 119.51 3iet s ALA 19 Ca 0.37 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3iet s ALA 19 Cb -0.19 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.33 3iet s ALA 19 CO 0.22 0.57 -0.06 0.45 0.00 0.00 0.00 175.76 176.93 3iet s SER 20 N -1.71 1.20 -0.02 0.00 0.15 -1.26 -1.39 113.70 110.67 3iet s SER 20 Ca 0.15 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.69 3iet s SER 20 Cb -0.10 -0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 63.65 3iet s SER 20 CO 0.06 -0.04 -0.19 -0.63 1.20 0.00 0.00 173.24 173.64 3iet s ILE 21 N 0.93 1.51 0.03 6.45 1.01 0.03 -4.79 121.20 126.37 3iet s ILE 21 Ca -0.11 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.79 3iet s ILE 21 Cb -0.14 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3iet s ILE 21 CO 0.00 0.43 -0.16 -0.44 0.00 0.00 0.00 174.94 174.78 3iet s SER 22 N -0.44 3.97 -0.13 3.58 0.01 -0.27 -0.82 113.70 119.60 3iet s SER 22 Ca 0.07 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 3iet s SER 22 Cb -0.07 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.50 3iet s SER 22 CO -0.01 0.26 0.12 0.00 0.41 0.00 0.00 173.24 174.02 3iet s ARG 24 N 2.21 2.89 0.04 0.00 3.52 -0.33 -1.47 118.95 125.80 3iet s ARG 24 Ca 0.04 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 3iet s ARG 24 Cb -0.14 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 3iet s ARG 24 CO -0.07 0.67 0.09 -1.54 -0.81 0.00 0.00 175.30 173.64 3iet s SER 25 N -1.16 5.69 0.00 -2.12 1.04 -0.89 0.02 113.70 116.28 3iet s SER 25 Ca 0.16 0.09 0.12 0.00 0.48 0.00 0.00 55.95 56.80 3iet s SER 25 Cb -0.11 -1.60 0.58 0.00 0.10 0.00 0.00 66.02 64.98 3iet s SER 25 CO 0.06 0.22 1.31 -1.54 0.98 0.00 0.00 173.24 174.27 3iet n SER 26 N 0.76 0.00 -3.75 7.02 3.41 0.21 -4.77 113.62 116.51 3iet n SER 26 Ca -0.10 0.22 -0.04 0.00 -0.26 0.00 0.00 58.87 58.69 3iet n SER 26 Cb 0.52 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.69 1.36 0.41 4.33 -2.07 -1.26 -4.95 119.66 114.79 3iet s GLN 27 Ca 0.10 -0.76 -0.26 0.00 -1.82 0.00 0.00 55.36 52.62 3iet s GLN 27 Cb 0.08 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.36 3iet s GLN 27 CO 0.19 -0.63 1.25 0.45 -1.32 0.00 0.00 175.29 175.23 3iet n SER 27 N -0.52 2.44 -0.63 12.60 2.88 -1.25 -4.63 113.62 124.50 3iet n SER 27 Ca -0.05 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 3iet n SER 27 Cb 0.60 -1.48 0.03 0.00 -0.75 0.00 0.00 64.21 62.61 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 0.30 2.30 -4.64 2.46 4.32 0.11 -4.93 117.00 116.92 3iet n LEU 27 Ca 0.07 -0.85 -0.43 0.00 -0.02 0.00 0.00 56.01 54.78 3iet n LEU 27 Cb 0.39 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 3iet n LEU 27 CO 0.59 0.41 1.48 -0.69 -1.22 0.00 0.00 177.39 177.96 3iet s VAL 27 N -2.17 3.43 0.54 4.08 1.01 -1.26 -3.93 120.40 122.10 3iet s VAL 27 Ca 0.21 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 3iet s VAL 27 Cb 0.18 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3iet s VAL 27 CO 0.44 -0.12 0.93 -2.28 0.00 0.00 0.00 175.10 174.06 3iet s HIS 27 N 5.11 3.56 -0.63 5.22 2.46 0.92 -4.93 115.29 127.00 3iet s HIS 27 Ca 0.79 1.18 0.06 0.00 0.47 0.00 0.00 55.06 57.56 3iet s HIS 27 Cb -0.32 -2.60 0.32 0.00 -0.13 0.00 0.00 32.58 29.85 3iet s HIS 27 CO 0.33 -0.45 1.12 -1.13 -2.47 0.00 0.00 174.74 172.14 3iet n SER 27 N -2.20 0.15 -1.01 9.88 3.41 -1.26 -0.76 113.62 121.83 3iet n SER 27 Ca 0.04 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 3iet n SER 27 Cb 0.54 -0.52 0.23 0.00 -0.26 0.00 0.00 64.21 64.20 3iet n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3iet n ASN 28 N -1.67 3.41 0.00 4.04 0.23 -1.26 -4.95 115.26 115.05 3iet n ASN 28 Ca -0.00 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3iet n ASN 28 Cb 0.09 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 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 1.14 1.02 3.91 4.83 0.00 0.06 -5.05 105.19 111.10 3iet n GLY 29 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.91 6.43 -0.28 1.61 0.01 -1.26 -4.78 114.94 113.77 3iet s ASN 30 Ca 0.00 0.49 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 3iet s ASN 30 Cb 0.00 -2.05 0.07 0.00 0.41 0.00 0.00 41.25 39.68 3iet s ASN 30 CO 0.00 0.00 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.63 3iet s THR 31 N -1.77 2.25 -1.18 1.60 2.01 -1.26 -0.06 115.64 117.23 3iet s THR 31 Ca 0.40 -1.76 -0.14 0.00 0.31 0.00 0.00 61.69 60.50 3iet s THR 31 Cb -0.12 -2.39 0.17 0.00 0.01 0.00 0.00 72.50 70.18 3iet s THR 31 CO 0.27 -0.14 1.39 -0.31 -0.69 0.00 0.00 174.62 175.14 3iet s TYR 32 N 1.07 3.51 -0.18 4.92 1.51 -1.25 -3.67 117.35 123.26 3iet s TYR 32 Ca -0.05 -2.11 0.01 0.00 -1.01 0.00 0.00 57.07 53.91 3iet s TYR 32 Cb -0.20 -4.29 0.03 0.00 -0.11 0.00 0.00 41.96 37.40 3iet s TYR 32 CO -0.05 -1.38 -0.14 -1.17 -1.11 0.00 0.00 175.55 171.70 3iet s LEU 33 N 1.51 2.06 0.15 -1.29 1.98 -1.26 -1.83 118.68 120.01 3iet s LEU 33 Ca 0.41 -0.70 0.11 0.00 -2.89 0.00 0.00 54.13 51.06 3iet s LEU 33 Cb -0.03 -1.27 -0.04 0.00 0.66 0.00 0.00 46.19 45.50 3iet s LEU 33 CO -0.01 -0.08 -0.25 -1.00 -1.89 0.00 0.00 176.35 173.11 3iet s HIS 34 N 1.40 2.25 0.01 5.38 3.76 0.24 -0.47 115.29 127.86 3iet s HIS 34 Ca 0.02 -0.38 0.08 0.00 -0.15 0.00 0.00 55.06 54.63 3iet s HIS 34 Cb -0.14 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 3iet s HIS 34 CO -0.10 0.40 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.37 3iet s TRP 35 N -1.35 2.42 0.10 1.40 0.52 0.13 -0.78 118.94 121.37 3iet s TRP 35 Ca 0.16 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.96 3iet s TRP 35 Cb -0.09 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3iet s TRP 35 CO 0.07 0.09 -0.10 0.71 0.02 0.00 0.00 176.95 177.74 3iet s TYR 36 N -0.74 1.06 -0.11 -1.98 1.51 0.26 -0.72 117.35 116.63 3iet s TYR 36 Ca 0.11 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.55 3iet s TYR 36 Cb -0.10 -0.58 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 3iet s TYR 36 CO 0.01 -0.00 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.09 3iet s LEU 37 N -2.43 1.94 -0.38 -1.29 2.96 -0.73 -0.31 118.68 118.43 3iet s LEU 37 Ca 0.05 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 3iet s LEU 37 Cb -0.03 -1.27 0.05 0.00 0.50 0.00 0.00 46.19 45.45 3iet s LEU 37 CO 0.00 0.08 0.20 -1.58 -1.32 0.00 0.00 176.35 173.73 3iet s GLN 38 N 0.72 2.69 0.59 1.98 0.74 0.71 -1.68 119.66 125.41 3iet s GLN 38 Ca -0.11 -1.26 -0.13 0.00 0.05 0.00 0.00 55.36 53.91 3iet s GLN 38 Cb -0.16 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 3iet s GLN 38 CO 0.02 -0.79 1.02 0.15 -0.55 0.00 0.00 175.29 175.13 3iet s LYS 39 N 1.47 3.60 0.06 1.67 1.02 -1.26 -0.67 119.74 125.64 3iet s LYS 39 Ca 0.01 0.88 -0.36 0.00 0.02 0.00 0.00 55.97 56.53 3iet s LYS 39 Cb -0.21 -2.08 -0.15 0.00 -0.52 0.00 0.00 37.83 34.87 3iet s LYS 39 CO 0.04 -0.56 1.52 -2.30 -0.92 0.00 0.00 175.35 173.13 3iet n PRO 40 N -2.36 1.64 -0.35 -1.68 -0.02 -1.26 -1.33 135.00 129.64 3iet n PRO 40 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3iet n PRO 40 Cb 0.54 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.21 1.96 3.77 -1.23 0.00 -1.26 -4.99 105.19 106.65 3iet n GLY 41 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.05 2.52 0.76 1.61 -0.21 -0.44 -5.13 119.66 118.72 3iet s GLN 42 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 55.36 53.86 3iet s GLN 42 Cb 0.00 -2.30 0.06 0.00 1.00 0.00 0.00 33.01 31.77 3iet s GLN 42 CO 0.00 0.15 1.12 -1.54 -2.12 0.00 0.00 175.29 172.90 3iet s SER 43 N -3.87 4.80 0.68 5.90 1.04 -1.26 -4.48 113.70 116.51 3iet s SER 43 Ca 0.38 0.78 -0.17 0.00 0.48 0.00 0.00 55.95 57.42 3iet s SER 43 Cb -0.04 -1.39 0.01 0.00 0.10 0.00 0.00 66.02 64.70 3iet s SER 43 CO 0.24 -1.69 1.27 -2.84 0.98 0.00 0.00 173.24 171.19 3iet s PRO 44 N -5.44 2.35 -0.05 4.02 0.02 -1.26 -4.49 135.00 130.15 3iet s PRO 44 Ca 0.60 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3iet s PRO 44 Cb -0.11 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.60 3iet s PRO 44 CO 0.48 -1.73 -0.02 0.21 -0.33 0.00 0.00 177.00 175.61 3iet s LYS 45 N -3.56 0.64 0.21 5.54 2.20 -0.68 -4.96 119.74 119.13 3iet s LYS 45 Ca 0.80 -0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 56.08 3iet s LYS 45 Cb -0.35 -0.77 -0.13 0.00 -1.51 0.00 0.00 37.83 35.07 3iet s LYS 45 CO 0.42 -0.14 1.65 -0.11 -0.36 0.00 0.00 175.35 176.80 3iet n LEU 46 N 4.32 3.76 -0.07 5.43 7.94 -1.26 -1.77 117.00 135.34 3iet n LEU 46 Ca -0.21 1.09 -0.13 0.00 -1.11 0.00 0.00 56.01 55.64 3iet n LEU 46 Cb 0.51 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 3iet n LEU 46 CO 0.20 0.01 -0.82 0.18 -1.11 0.00 0.00 177.39 175.85 3iet n LEU 47 N 3.42 1.42 -3.85 -1.96 4.77 0.10 -4.82 117.00 116.09 3iet n LEU 47 Ca 0.15 0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 3iet n LEU 47 Cb 0.33 -0.56 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 3iet n LEU 47 CO 0.64 0.02 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.71 3iet s ILE 48 N -2.44 0.15 0.22 -0.08 1.01 -1.05 -1.31 121.20 117.70 3iet s ILE 48 Ca -0.22 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.57 3iet s ILE 48 Cb 0.07 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 3iet s ILE 48 CO 0.30 0.10 -0.21 -0.72 0.00 0.00 0.00 174.94 174.41 3iet s TYR 49 N 0.61 2.17 -1.22 3.97 -0.85 -0.03 -0.69 117.35 121.31 3iet s TYR 49 Ca -0.06 -0.38 -0.19 0.00 -0.52 0.00 0.00 57.07 55.92 3iet s TYR 49 Cb -0.09 -1.03 0.00 0.00 0.38 0.00 0.00 41.96 41.23 3iet s TYR 49 CO -0.01 0.53 0.67 1.63 -1.52 0.00 0.00 175.55 176.85 3iet n LYS 50 N -0.05 -1.46 0.00 -3.49 5.02 -1.12 -1.87 118.16 115.19 3iet n LYS 50 Ca -0.10 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3iet n LYS 50 Cb 0.58 -3.87 0.00 0.00 -0.02 0.00 0.00 35.03 31.72 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 -4.42 0.00 -0.98 -0.18 0.31 0.38 -3.88 118.33 109.55 3iet n VAL 51 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3iet n VAL 51 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 2.36 0.02 -4.57 4.52 3.41 -1.22 -3.83 113.62 114.30 3iet n SER 52 Ca 0.00 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 3iet n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.00 6.54 0.01 4.04 0.01 -0.78 -4.68 114.94 120.08 3iet s ASN 53 Ca 0.00 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.07 3iet s ASN 53 Cb 0.00 -2.46 -0.07 0.00 0.41 0.00 0.00 41.25 39.13 3iet s ASN 53 CO 0.00 -1.04 1.58 -0.13 -1.51 0.00 0.00 177.10 176.00 3iet s ARG 54 N 3.78 4.22 0.77 -0.60 0.52 -1.26 -0.85 118.95 125.52 3iet s ARG 54 Ca 0.38 2.18 -0.13 0.00 -0.52 0.00 0.00 55.73 57.65 3iet s ARG 54 Cb -0.10 -3.70 0.06 0.00 0.52 0.00 0.00 34.95 31.73 3iet s ARG 54 CO 0.26 -0.72 1.14 0.12 0.02 0.00 0.00 175.30 176.12 3iet s PHE 55 N 2.96 2.22 0.19 -0.53 5.36 -0.43 -4.89 117.98 122.87 3iet s PHE 55 Ca 0.71 1.62 -0.32 0.00 -0.96 0.00 0.00 56.93 57.98 3iet s PHE 55 Cb -0.35 -3.26 -0.12 0.00 -0.34 0.00 0.00 43.02 38.95 3iet s PHE 55 CO 0.30 -2.23 1.74 -1.13 -1.46 0.00 0.00 175.22 172.44 3iet n SER 56 N -3.22 3.94 0.00 6.13 3.41 -1.26 -1.97 113.62 120.65 3iet n SER 56 Ca 0.11 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3iet n SER 56 Cb 0.52 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 3iet n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iet n GLY 57 N 3.98 2.94 3.66 5.00 0.00 -1.26 -5.05 105.19 114.45 3iet n GLY 57 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.65 4.64 0.58 1.61 1.01 -0.83 -5.00 120.40 119.76 3iet s VAL 58 Ca 0.00 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 3iet s VAL 58 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3iet s VAL 58 CO 0.00 -0.22 1.14 -2.65 0.00 0.00 0.00 175.10 173.37 3iet n PRO 59 N 6.41 1.21 -0.01 2.72 -0.02 -1.26 -4.87 135.00 139.17 3iet n PRO 59 Ca 0.12 0.46 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3iet n PRO 59 Cb 0.46 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.66 3iet n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3iet n ASP 60 N -0.93 0.07 0.23 2.55 5.68 -1.26 -2.28 116.55 120.61 3iet n ASP 60 Ca 0.13 -1.94 0.10 0.00 -0.50 0.00 0.00 54.79 52.58 3iet n ASP 60 Cb 0.46 -0.01 0.48 0.00 -1.14 0.00 0.00 41.12 40.91 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 0.08 0.00 -5.83 0.11 3.08 -1.89 -3.42 114.38 106.52 3iet h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3iet h ARG 61 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 3iet h ARG 61 CO 0.00 0.21 0.10 -0.06 -1.07 0.00 0.00 179.97 179.14 3iet s PHE 62 N -3.67 3.47 -0.10 3.04 0.08 -0.97 -1.79 117.98 118.04 3iet s PHE 62 Ca 0.00 1.06 -0.08 0.00 0.12 0.00 0.00 56.93 58.04 3iet s PHE 62 Cb 0.10 -2.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.80 3iet s PHE 62 CO 0.63 -0.04 0.26 0.45 -0.10 0.00 0.00 175.22 176.42 3iet s SER 63 N 0.97 -0.28 0.03 1.36 0.15 -0.38 -4.94 113.70 110.61 3iet s SER 63 Ca 0.32 0.54 0.07 0.00 0.70 0.00 0.00 55.95 57.58 3iet s SER 63 Cb -0.16 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 3iet s SER 63 CO 0.13 -0.12 -0.21 -0.83 1.20 0.00 0.00 173.24 173.41 3iet s GLY 64 N 0.54 1.12 0.26 9.45 0.00 -1.26 -0.20 107.32 117.23 3iet s GLY 64 Ca -0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 44.72 43.63 3iet s GLY 64 CO -0.03 -0.94 0.28 -1.35 0.00 0.00 0.00 173.10 171.06 3iet s SER 65 N -1.00 0.56 0.00 1.64 1.04 -0.81 -4.20 113.70 110.92 3iet s SER 65 Ca 0.08 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.11 3iet s SER 65 Cb -0.09 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3iet s SER 65 CO 0.01 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3iet n GLY 66 N -0.41 3.00 3.07 7.32 0.00 -1.26 -1.86 105.19 115.05 3iet n GLY 66 Ca 0.02 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 3iet n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iet s SER 67 N 0.00 -0.02 0.00 1.61 0.01 -0.50 -4.97 113.70 109.82 3iet s SER 67 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3iet s SER 67 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 3iet s SER 67 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3iet n GLY 68 N 2.02 0.59 0.05 3.44 0.00 -1.26 -0.71 105.19 109.31 3iet n GLY 68 Ca -0.19 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.40 -3.80 2.61 -2.24 -1.26 0.08 114.28 110.07 3iet n THR 69 Ca 0.00 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 3iet n THR 69 Cb 0.00 0.75 -0.17 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.53 2.75 0.02 3.42 -1.08 0.11 -2.11 116.67 119.26 3iet s ASP 70 Ca 0.01 -0.69 0.01 0.00 -0.52 0.00 0.00 52.55 51.37 3iet s ASP 70 Cb 0.01 -0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 40.76 3iet s ASP 70 CO 0.00 -0.25 -0.05 -0.36 0.52 0.00 0.00 175.17 175.03 3iet s PHE 71 N 1.78 0.45 -0.01 -5.34 0.40 -0.54 -1.42 117.98 113.30 3iet s PHE 71 Ca 0.00 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3iet s PHE 71 Cb -0.16 -0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.10 3iet s PHE 71 CO -0.07 -0.08 -0.03 0.99 0.70 0.00 0.00 175.22 176.73 3iet s THR 72 N -0.98 0.28 -0.17 0.64 2.01 -0.78 -0.40 115.64 116.25 3iet s THR 72 Ca -0.08 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 3iet s THR 72 Cb -0.07 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 3iet s THR 72 CO -0.00 0.11 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.81 3iet s LEU 73 N 0.32 3.36 -0.07 4.42 2.96 -0.00 -1.93 118.68 127.73 3iet s LEU 73 Ca -0.03 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3iet s LEU 73 Cb -0.06 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3iet s LEU 73 CO -0.01 0.15 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.43 3iet s LYS 74 N 0.48 2.75 -0.33 1.98 1.02 0.72 -0.79 119.74 125.57 3iet s LYS 74 Ca -0.02 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.18 3iet s LYS 74 Cb -0.14 -2.31 0.10 0.00 -0.52 0.00 0.00 37.83 34.96 3iet s LYS 74 CO 0.02 0.38 0.06 0.42 -0.92 0.00 0.00 175.35 175.32 3iet s ILE 75 N -0.13 1.85 0.79 2.17 1.01 -0.49 -1.25 121.20 125.16 3iet s ILE 75 Ca -0.03 -2.06 -0.12 0.00 0.00 0.00 0.00 60.65 58.44 3iet s ILE 75 Cb -0.14 -2.38 0.06 0.00 0.01 0.00 0.00 42.46 40.02 3iet s ILE 75 CO 0.04 -0.62 1.11 -0.94 0.00 0.00 0.00 174.94 174.52 3iet s SER 76 N 1.12 4.61 -0.86 3.58 1.04 -0.74 -0.84 113.70 121.61 3iet s SER 76 Ca 0.11 1.19 -0.14 0.00 0.48 0.00 0.00 55.95 57.59 3iet s SER 76 Cb -0.18 -1.91 0.02 0.00 0.10 0.00 0.00 66.02 64.04 3iet s SER 76 CO -0.13 -1.88 0.54 -1.20 0.98 0.00 0.00 173.24 171.54 3iet n SER 77 N -3.36 -3.76 -4.69 7.02 7.64 -1.24 -4.76 113.62 110.48 3iet n SER 77 Ca 0.07 -0.97 -0.43 0.00 1.01 0.00 0.00 58.87 58.55 3iet n SER 77 Cb 0.57 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 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 -3.33 0.25 -3.82 0.44 0.31 -0.82 -4.65 118.33 106.71 3iet n VAL 78 Ca -0.19 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.89 3iet n VAL 78 Cb 0.53 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3iet n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3iet s GLU 79 N 2.21 2.85 0.20 5.55 2.02 -1.26 -1.00 118.70 129.28 3iet s GLU 79 Ca 0.81 -1.18 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 3iet s GLU 79 Cb -0.53 -2.56 0.19 0.00 0.10 0.00 0.00 34.13 31.33 3iet s GLU 79 CO 0.37 0.16 1.80 0.00 0.02 0.00 0.00 175.26 177.61 3iet h ALA 80 N 1.23 0.79 0.00 5.21 0.00 -1.94 -2.01 119.26 122.54 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 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3iet h ALA 80 CO 0.58 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 3iet n GLU 81 N -4.82 0.28 0.14 0.00 0.28 -1.26 -1.52 120.64 113.74 3iet n GLU 81 Ca 0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.18 3iet n GLU 81 Cb 0.15 -1.39 0.05 0.00 1.43 0.00 0.00 31.44 31.68 3iet n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3iet h ASP 82 N 0.00 0.00 -3.70 -1.84 3.45 -1.77 -3.47 116.42 109.08 3iet h ASP 82 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 3iet h ASP 82 Cb 0.00 0.00 0.16 0.00 -0.56 0.00 0.00 39.33 38.93 3iet h ASP 82 CO 0.00 0.00 0.24 0.00 -1.57 0.00 0.00 179.24 177.92 3iet n LEU 83 N -2.80 4.29 0.00 1.55 -0.00 -0.58 -4.87 117.00 114.59 3iet n LEU 83 Ca 0.01 0.83 0.00 0.00 -0.00 0.00 0.00 56.01 56.85 3iet n LEU 83 Cb 0.55 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 3iet n LEU 83 CO 0.38 -1.57 0.00 0.61 -0.00 0.00 0.00 177.39 176.81 3iet n GLY 84 N 1.17 0.20 3.36 1.47 0.00 -1.23 -4.66 105.19 105.49 3iet n GLY 84 Ca 0.14 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.11 3.54 -0.16 1.61 1.01 0.16 -1.38 120.40 122.07 3iet s VAL 85 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3iet s VAL 85 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3iet s VAL 85 CO 0.00 0.43 0.49 -0.31 0.00 0.00 0.00 175.10 175.71 3iet s TYR 86 N 1.28 3.43 0.02 5.22 1.51 -0.46 -0.21 117.35 128.15 3iet s TYR 86 Ca 0.03 0.81 0.06 0.00 -1.01 0.00 0.00 57.07 56.97 3iet s TYR 86 Cb -0.14 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3iet s TYR 86 CO -0.01 0.03 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.23 3iet s PHE 87 N 1.16 2.60 0.13 2.71 0.40 0.57 -0.71 117.98 124.84 3iet s PHE 87 Ca 0.24 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 3iet s PHE 87 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 3iet s PHE 87 CO 0.10 0.24 0.02 0.00 0.70 0.00 0.00 175.22 176.28 3iet s SER 89 N -2.64 0.26 0.05 0.00 1.04 0.04 0.93 113.70 113.39 3iet s SER 89 Ca 0.27 -0.64 0.09 0.00 0.48 0.00 0.00 55.95 56.14 3iet s SER 89 Cb -0.11 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 3iet s SER 89 CO 0.19 -0.51 -0.24 0.00 0.98 0.00 0.00 173.24 173.66 3iet s GLN 90 N -2.79 1.83 -0.03 4.02 1.03 -0.45 -0.59 119.66 122.69 3iet s GLN 90 Ca -0.03 -1.10 0.04 0.00 0.04 0.00 0.00 55.36 54.30 3iet s GLN 90 Cb -0.00 -2.03 0.06 0.00 0.03 0.00 0.00 33.01 31.07 3iet s GLN 90 CO -0.06 0.51 0.89 -1.13 -2.54 0.00 0.00 175.29 172.97 3iet n SER 91 N 1.61 0.86 0.14 12.60 3.41 -0.76 -2.01 113.62 129.47 3iet n SER 91 Ca -0.17 -1.94 -0.14 0.00 -0.26 0.00 0.00 58.87 56.36 3iet n SER 91 Cb 0.52 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 3.10 0.78 -4.73 6.66 2.02 -1.87 -3.44 112.91 115.42 3iet h THR 92 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3iet h THR 92 Cb 1.04 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3iet h THR 92 CO 0.00 0.00 -0.02 1.41 0.37 0.00 0.00 175.52 177.28 3iet n HIS 93 N -5.22 -2.81 -1.67 3.16 8.25 -1.26 -5.02 115.22 110.65 3iet n HIS 93 Ca -0.09 -0.62 -0.57 0.00 -0.26 0.00 0.00 57.72 56.18 3iet n HIS 93 Cb 0.14 -0.17 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.40 0.17 -1.71 1.59 0.31 -1.26 -4.75 118.33 111.29 3iet n VAL 94 Ca 0.05 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3iet n VAL 94 Cb 0.18 -0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 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 4.21 2.67 -4.12 5.55 -0.02 -1.26 -4.89 135.00 137.14 3iet n PRO 95 Ca 0.24 0.96 -0.16 0.00 -2.02 0.00 0.00 63.50 62.53 3iet n PRO 95 Cb 0.13 -2.80 -0.12 0.00 -0.02 0.00 0.00 33.50 30.69 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 1.14 0.82 0.13 3.45 -4.23 -0.85 -5.00 115.64 111.10 3iet s THR 97 Ca 0.76 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 3iet s THR 97 Cb -0.54 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3iet s THR 97 CO 0.33 -0.31 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.60 3iet s PHE 98 N -1.37 2.62 1.09 3.99 0.40 -1.26 -1.34 117.98 122.12 3iet s PHE 98 Ca -0.06 -0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 3iet s PHE 98 Cb -0.10 -1.35 0.24 0.00 0.51 0.00 0.00 43.02 42.32 3iet s PHE 98 CO 0.01 0.44 1.13 0.20 0.70 0.00 0.00 175.22 177.70 3iet s GLY 99 N -2.38 1.59 0.17 4.36 0.00 0.26 -4.53 107.32 106.79 3iet s GLY 99 Ca 0.21 -0.77 0.25 0.00 0.00 0.00 0.00 44.72 44.42 3iet s GLY 99 CO 0.13 -0.00 1.61 0.61 0.00 0.00 0.00 173.10 175.45 3iet n GLY 100 N -1.38 -1.59 0.00 0.20 0.00 -1.26 -4.82 105.19 96.34 3iet n GLY 100 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.33 1.79 2.70 -0.02 0.00 -1.26 -5.04 105.19 104.70 3iet n GLY 101 Ca 0.05 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.79 0.17 -0.08 2.61 2.01 0.12 -4.81 115.64 112.87 3iet s THR 102 Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 3iet s THR 102 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 3iet s THR 102 CO 0.00 0.03 1.15 -0.75 -0.69 0.00 0.00 174.62 174.36 3iet s LYS 103 N 2.04 4.36 -0.33 4.92 2.20 -0.58 -1.35 119.74 131.00 3iet s LYS 103 Ca 0.03 1.59 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 3iet s LYS 103 Cb -0.14 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3iet s LYS 103 CO -0.06 -0.44 0.46 -1.17 -0.36 0.00 0.00 175.35 173.78 3iet s LEU 104 N 2.28 4.32 -0.12 5.43 0.20 -0.48 -0.12 118.68 130.19 3iet s LEU 104 Ca 0.53 -0.01 -0.06 0.00 0.69 0.00 0.00 54.13 55.28 3iet s LEU 104 Cb -0.22 -2.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 3iet s LEU 104 CO 0.20 -0.40 0.12 -0.70 -0.29 0.00 0.00 176.35 175.28 3iet s GLU 105 N 2.26 3.40 -0.39 1.98 2.12 0.92 -3.58 118.70 125.40 3iet s GLU 105 Ca 0.17 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.14 3iet s GLU 105 Cb -0.16 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.11 3iet s GLU 105 CO 0.12 0.75 0.45 0.42 -0.54 0.00 0.00 175.26 176.46 3iet s ILE 106 N -0.95 5.07 0.25 -3.70 1.09 -1.26 -0.66 121.20 121.04 3iet s ILE 106 Ca 0.14 -0.09 -0.31 0.00 -1.10 0.00 0.00 60.65 59.29 3iet s ILE 106 Cb -0.12 -3.99 -0.13 0.00 -1.06 0.00 0.00 42.46 37.16 3iet s ILE 106 CO 0.03 -0.33 1.46 0.29 -0.10 0.00 0.00 174.94 176.29 3iet n LYS 107 N 5.64 2.20 -4.22 2.79 5.02 0.11 -4.87 118.16 124.83 3iet n LYS 107 Ca -0.07 0.78 -0.14 0.00 -2.02 0.00 0.00 58.31 56.87 3iet n LYS 107 Cb 0.48 -2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 32.92 3iet n LYS 107 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3iet s ARG 108 N -0.40 0.97 0.00 1.97 3.52 -1.26 -4.64 118.95 119.11 3iet s ARG 108 Ca 0.67 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 3iet s ARG 108 Cb -0.61 -0.54 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 3iet s ARG 108 CO 0.49 0.06 0.58 0.00 -0.81 0.00 0.00 175.30 175.62 3iet n ALA 109 N 0.02 -0.02 0.00 6.12 0.00 -1.26 -4.96 120.51 120.41 3iet n ALA 109 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3iet n ALA 109 Cb 0.60 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.27 3iet n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iet n ASP 110 N -1.19 0.00 -3.69 0.00 10.43 -1.26 -4.96 116.55 115.87 3iet n ASP 110 Ca 0.00 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.26 3iet n ASP 110 Cb 0.00 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.85 3iet n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iet s ALA 111 N -0.49 -1.02 0.31 2.24 0.00 -0.48 -4.92 121.76 117.40 3iet s ALA 111 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 51.96 53.23 3iet s ALA 111 Cb 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 22.09 3iet s ALA 111 CO 0.00 -0.29 0.86 0.00 0.00 0.00 0.00 175.76 176.33 3iet s ALA 112 N 1.48 3.25 0.35 0.00 0.00 -1.26 -1.17 121.76 124.40 3iet s ALA 112 Ca -0.09 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 3iet s ALA 112 Cb -0.09 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3iet s ALA 112 CO -0.12 0.23 1.14 -1.25 0.00 0.00 0.00 175.76 175.75 3iet s PRO 113 N -2.33 4.33 -0.28 0.00 0.04 -1.26 -4.56 135.00 130.94 3iet s PRO 113 Ca 0.51 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 3iet s PRO 113 Cb -0.15 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 3iet s PRO 113 CO 0.20 -0.08 0.54 0.99 0.04 0.00 0.00 177.00 178.70 3iet s THR 114 N -1.32 5.04 -0.14 1.26 2.01 -0.50 -4.83 115.64 117.16 3iet s THR 114 Ca 0.51 0.83 -0.05 0.00 0.31 0.00 0.00 61.69 63.30 3iet s THR 114 Cb -0.31 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3iet s THR 114 CO 0.40 0.02 0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 3iet s VAL 115 N 2.37 4.51 -0.05 3.82 1.01 -1.26 -1.49 120.40 129.32 3iet s VAL 115 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3iet s VAL 115 Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3iet s VAL 115 CO 0.10 0.54 -0.04 -0.44 0.00 0.00 0.00 175.10 175.26 3iet s SER 116 N -0.23 1.11 -0.04 3.32 0.01 -0.13 -4.98 113.70 112.77 3iet s SER 116 Ca 0.07 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.23 3iet s SER 116 Cb -0.12 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 3iet s SER 116 CO 0.02 -0.08 -0.10 -0.51 0.41 0.00 0.00 173.24 172.97 3iet s ILE 117 N 1.15 3.38 -0.10 1.44 2.07 -1.26 -0.61 121.20 127.27 3iet s ILE 117 Ca -0.07 -0.69 -0.01 0.00 -1.41 0.00 0.00 60.65 58.47 3iet s ILE 117 Cb -0.14 -2.39 0.03 0.00 0.13 0.00 0.00 42.46 40.09 3iet s ILE 117 CO -0.01 0.53 -0.04 -0.36 -1.91 0.00 0.00 174.94 173.15 3iet s PHE 118 N -0.83 1.16 0.94 3.50 0.08 0.15 -4.99 117.98 117.99 3iet s PHE 118 Ca 0.13 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 3iet s PHE 118 Cb -0.11 -1.06 0.16 0.00 -0.57 0.00 0.00 43.02 41.43 3iet s PHE 118 CO 0.03 -0.45 1.09 -2.14 -0.10 0.00 0.00 175.22 173.65 3iet s PRO 119 N 1.81 0.88 0.45 0.24 0.02 -1.26 -1.12 135.00 136.03 3iet s PRO 119 Ca 0.05 1.01 -0.24 0.00 0.02 0.00 0.00 61.00 61.84 3iet s PRO 119 Cb -0.13 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 3iet s PRO 119 CO -0.07 -2.55 1.18 -2.30 -0.33 0.00 0.00 177.00 172.92 3iet n PRO 120 N -4.12 1.63 -2.20 5.54 -0.02 -1.07 -4.79 135.00 129.97 3iet n PRO 120 Ca 0.07 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 3iet n PRO 120 Cb 0.54 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.71 5.62 0.45 2.55 1.04 -1.26 -4.89 113.70 116.50 3iet s SER 121 Ca 0.64 2.20 0.12 0.00 0.48 0.00 0.00 55.95 59.39 3iet s SER 121 Cb -0.50 -2.58 1.03 0.00 0.10 0.00 0.00 66.02 64.07 3iet s SER 121 CO 0.55 -1.29 2.07 0.77 0.98 0.00 0.00 173.24 176.33 3iet h SER 122 N 1.10 0.29 0.13 7.02 4.64 -1.99 -1.22 113.55 123.52 3iet h SER 122 Ca -0.50 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3iet h SER 122 Cb 1.27 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3iet h SER 122 CO 0.56 0.20 -0.20 -0.08 -0.87 0.00 0.00 176.83 176.45 3iet h GLU 123 N 0.34 -0.38 -0.59 4.77 4.57 -1.94 0.34 114.58 121.69 3iet h GLU 123 Ca 0.13 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3iet h GLU 123 Cb 0.09 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3iet h GLU 123 CO -0.03 -0.25 0.12 0.37 -1.18 0.00 0.00 179.01 178.04 3iet h GLN 124 N -0.40 0.96 -0.41 1.92 4.15 -1.73 -2.95 115.11 116.66 3iet h GLN 124 Ca 0.02 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3iet h GLN 124 Cb 0.41 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3iet h GLN 124 CO -0.10 0.89 0.26 -0.07 -1.93 0.00 0.00 178.83 177.88 3iet h LEU 125 N 0.86 0.48 -1.64 -2.39 3.38 -1.04 -1.14 115.31 113.81 3iet h LEU 125 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iet h LEU 125 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iet h LEU 125 CO 0.01 0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.25 3iet n THR 126 N -4.78 0.39 -1.92 0.22 -2.24 0.12 -0.55 114.28 105.52 3iet n THR 126 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3iet n THR 126 Cb 0.04 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 3iet n THR 126 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iet n SER 127 N 0.51 0.05 -3.07 3.42 2.88 -0.45 -5.00 113.62 111.96 3iet n SER 127 Ca 0.00 -1.96 -0.16 0.00 -1.33 0.00 0.00 58.87 55.43 3iet n SER 127 Cb 0.25 -0.19 0.07 0.00 -0.75 0.00 0.00 64.21 63.60 3iet n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iet n GLY 128 N -0.03 -0.25 3.25 0.46 0.00 0.29 -5.03 105.19 103.88 3iet n GLY 128 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.98 -0.09 -0.14 -0.02 0.00 -1.11 -4.49 107.32 97.50 3iet s GLY 129 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 3iet s GLY 129 CO 0.62 -0.42 0.28 0.00 0.00 0.00 0.00 173.10 173.58 3iet s ALA 130 N -3.27 -0.63 -0.05 3.20 0.00 -1.11 -3.26 121.76 116.65 3iet s ALA 130 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3iet s ALA 130 Cb 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.13 3iet s ALA 130 CO -0.08 -0.60 -0.14 -1.12 0.00 0.00 0.00 175.76 173.82 3iet s SER 131 N 2.30 1.90 -0.12 0.00 0.01 -1.26 -0.41 113.70 116.12 3iet s SER 131 Ca -0.00 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.93 3iet s SER 131 Cb -0.12 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 3iet s SER 131 CO -0.09 0.10 -0.08 -0.69 0.41 0.00 0.00 173.24 172.89 3iet s VAL 132 N 0.26 3.52 0.01 3.43 1.01 0.78 -2.61 120.40 126.80 3iet s VAL 132 Ca -0.07 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3iet s VAL 132 Cb -0.12 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3iet s VAL 132 CO 0.03 0.53 -0.25 -0.69 0.00 0.00 0.00 175.10 174.72 3iet s VAL 133 N 0.04 2.19 -0.09 2.92 1.01 -0.27 -0.89 120.40 125.30 3iet s VAL 133 Ca -0.02 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.74 3iet s VAL 133 Cb -0.14 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3iet s VAL 133 CO 0.03 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 3iet s PHE 135 N 1.31 3.41 -0.29 0.00 0.40 0.22 -0.90 117.98 122.13 3iet s PHE 135 Ca -0.03 0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 3iet s PHE 135 Cb -0.14 -2.01 0.08 0.00 0.51 0.00 0.00 43.02 41.47 3iet s PHE 135 CO -0.03 0.45 0.03 -0.51 0.70 0.00 0.00 175.22 175.86 3iet s LEU 136 N -0.33 3.04 0.04 -0.37 1.02 0.03 -0.95 118.68 121.16 3iet s LEU 136 Ca 0.10 -1.60 0.06 0.00 0.02 0.00 0.00 54.13 52.71 3iet s LEU 136 Cb -0.12 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 3iet s LEU 136 CO 0.01 -0.34 -0.14 0.20 0.02 0.00 0.00 176.35 176.10 3iet s ASN 137 N 1.34 4.11 -1.05 2.29 0.02 -0.55 0.39 114.94 121.49 3iet s ASN 137 Ca 0.04 -0.35 -0.01 0.00 -1.02 0.00 0.00 52.86 51.52 3iet s ASN 137 Cb -0.18 -0.77 0.00 0.00 0.02 0.00 0.00 41.25 40.32 3iet s ASN 137 CO -0.13 0.25 0.88 0.59 0.02 0.00 0.00 177.10 178.70 3iet n ASN 138 N 1.40 -2.59 -4.55 -1.22 5.03 0.07 -1.41 115.26 111.99 3iet n ASN 138 Ca -0.15 -0.52 -0.27 0.00 0.87 0.00 0.00 54.58 54.51 3iet n ASN 138 Cb 0.52 -4.44 -0.10 0.00 -1.02 0.00 0.00 39.78 34.74 3iet n ASN 138 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 3iet s PHE 139 N -3.30 2.59 -0.15 3.10 -0.71 0.69 -4.52 117.98 115.68 3iet s PHE 139 Ca 0.07 -0.24 -0.14 0.00 -1.04 0.00 0.00 56.93 55.59 3iet s PHE 139 Cb -0.03 -1.28 0.04 0.00 -1.21 0.00 0.00 43.02 40.54 3iet s PHE 139 CO 0.62 0.50 0.40 -0.47 -1.34 0.00 0.00 175.22 174.94 3iet s TYR 140 N -1.65 -0.45 1.14 3.49 6.14 -0.32 -0.32 117.35 125.38 3iet s TYR 140 Ca 0.24 1.09 -0.19 0.00 0.64 0.00 0.00 57.07 58.84 3iet s TYR 140 Cb -0.09 0.16 0.28 0.00 0.42 0.00 0.00 41.96 42.73 3iet s TYR 140 CO 0.14 -0.22 1.22 -1.25 0.64 0.00 0.00 175.55 176.08 3iet s PRO 141 N 0.29 -0.80 0.38 4.97 0.04 -1.26 -1.39 135.00 137.23 3iet s PRO 141 Ca -0.01 -0.36 0.17 0.00 0.04 0.00 0.00 61.00 60.85 3iet s PRO 141 Cb -0.03 -1.67 0.75 0.00 0.04 0.00 0.00 34.50 33.58 3iet s PRO 141 CO -0.00 -3.38 1.78 -0.22 0.04 0.00 0.00 177.00 175.22 3iet h LYS 142 N -2.34 0.00 -6.46 4.56 3.64 -1.98 -3.44 116.57 110.55 3iet h LYS 142 Ca -0.43 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.42 3iet h LYS 142 Cb 1.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3iet h LYS 142 CO 0.29 0.37 0.78 0.34 -2.27 0.00 0.00 179.45 178.96 3iet s ASP 143 N -6.57 6.84 -0.11 4.20 2.15 -1.26 -4.99 116.67 116.93 3iet s ASP 143 Ca -0.01 2.22 -0.28 0.00 0.43 0.00 0.00 52.55 54.91 3iet s ASP 143 Cb 0.12 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.24 3iet s ASP 143 CO 0.69 -0.69 0.66 -0.51 -0.17 0.00 0.00 175.17 175.15 3iet s ILE 144 N 1.80 0.00 -0.22 4.11 2.07 -1.26 -4.64 121.20 123.06 3iet s ILE 144 Ca 0.64 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.87 3iet s ILE 144 Cb -0.34 -0.96 0.04 0.00 0.13 0.00 0.00 42.46 41.33 3iet s ILE 144 CO 0.29 -0.02 -0.15 0.20 -1.91 0.00 0.00 174.94 173.34 3iet s ASN 145 N -0.75 3.81 -0.17 4.50 0.01 -0.81 -4.95 114.94 116.57 3iet s ASN 145 Ca -0.08 -1.04 -0.07 0.00 -0.71 0.00 0.00 52.86 50.96 3iet s ASN 145 Cb -0.02 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 3iet s ASN 145 CO 0.07 -0.10 0.06 -0.69 -1.51 0.00 0.00 177.10 174.93 3iet s VAL 146 N 1.19 4.81 0.05 1.60 1.01 -1.26 -0.25 120.40 127.54 3iet s VAL 146 Ca -0.02 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3iet s VAL 146 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3iet s VAL 146 CO -0.09 0.48 -0.26 -0.54 0.00 0.00 0.00 175.10 174.69 3iet s LYS 147 N 0.21 1.74 -0.14 2.72 1.02 -1.26 -4.83 119.74 119.19 3iet s LYS 147 Ca 0.04 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 54.89 3iet s LYS 147 Cb -0.12 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 3iet s LYS 147 CO 0.00 0.49 0.05 -1.58 -0.92 0.00 0.00 175.35 173.40 3iet s TRP 148 N -0.81 3.28 -0.09 3.18 0.52 -1.26 -0.94 118.94 122.82 3iet s TRP 148 Ca 0.11 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.43 3iet s TRP 148 Cb -0.10 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 3iet s TRP 148 CO 0.02 0.34 -0.17 0.15 0.02 0.00 0.00 176.95 177.31 3iet s LYS 149 N -0.23 2.30 -0.24 4.98 1.02 -0.48 -0.70 119.74 126.39 3iet s LYS 149 Ca 0.08 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 3iet s LYS 149 Cb -0.12 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 3iet s LYS 149 CO 0.02 0.06 -0.08 0.42 -0.92 0.00 0.00 175.35 174.85 3iet s ILE 150 N 0.62 2.82 -1.40 2.17 1.01 0.04 -1.88 121.20 124.57 3iet s ILE 150 Ca -0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 3iet s ILE 150 Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.93 3iet s ILE 150 CO 0.04 0.26 0.52 0.47 0.00 0.00 0.00 174.94 176.24 3iet n ASP 151 N 4.67 -0.83 0.00 3.58 10.43 0.07 -1.64 116.55 132.83 3iet n ASP 151 Ca -0.17 -0.95 0.00 0.00 2.57 0.00 0.00 54.79 56.23 3iet n ASP 151 Cb 0.48 -3.31 0.00 0.00 1.84 0.00 0.00 41.12 40.13 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 -1.85 2.79 3.66 0.44 0.00 -1.26 -4.99 105.19 103.99 3iet n GLY 152 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.15 6.18 0.34 1.61 0.15 -0.65 -4.94 113.70 114.23 3iet s SER 153 Ca 0.00 0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 3iet s SER 153 Cb 0.00 -2.13 -0.11 0.00 -1.71 0.00 0.00 66.02 62.07 3iet s SER 153 CO 0.00 0.02 1.48 -0.70 1.20 0.00 0.00 173.24 175.24 3iet s GLU 154 N 1.18 4.17 -0.15 5.44 2.12 -1.26 -0.78 118.70 129.42 3iet s GLU 154 Ca 0.10 2.49 0.01 0.00 0.36 0.00 0.00 54.97 57.93 3iet s GLU 154 Cb -0.14 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.26 3iet s GLU 154 CO 0.06 -0.49 -0.19 0.50 -0.54 0.00 0.00 175.26 174.60 3iet s ARG 155 N -1.50 2.76 -0.04 4.30 6.06 0.13 -4.89 118.95 125.76 3iet s ARG 155 Ca 0.55 -0.75 0.07 0.00 -2.50 0.00 0.00 55.73 53.10 3iet s ARG 155 Cb -0.45 -2.35 -0.11 0.00 0.06 0.00 0.00 34.95 32.10 3iet s ARG 155 CO 0.56 -0.14 0.09 0.00 -2.50 0.00 0.00 175.30 173.31 3iet n GLN 156 N 4.44 1.60 -1.84 5.12 10.64 -1.26 -4.26 117.38 131.82 3iet n GLN 156 Ca -0.20 -0.04 -0.41 0.00 -1.83 0.00 0.00 57.00 54.53 3iet n GLN 156 Cb 0.51 -1.19 -0.01 0.00 -0.86 0.00 0.00 30.24 28.69 3iet n GLN 156 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3iet s ASN 157 N -3.43 6.43 0.00 2.61 4.22 -1.26 -3.36 114.94 120.14 3iet s ASN 157 Ca -0.03 2.93 0.00 0.00 -2.14 0.00 0.00 52.86 53.62 3iet s ASN 157 Cb 0.04 -2.65 0.00 0.00 1.28 0.00 0.00 41.25 39.92 3iet s ASN 157 CO 0.31 -0.84 0.00 0.61 -2.04 0.00 0.00 177.10 175.14 3iet n GLY 158 N 1.40 0.47 3.85 0.45 0.00 -1.26 -4.88 105.19 105.22 3iet n GLY 158 Ca 0.05 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 5.31 -0.26 1.61 1.01 -1.21 -1.78 120.40 123.08 3iet s VAL 159 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 3iet s VAL 159 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.92 3iet s VAL 159 CO 0.00 0.59 0.02 -0.22 0.00 0.00 0.00 175.10 175.50 3iet s LEU 160 N -0.97 2.39 -0.06 3.92 1.98 0.10 -4.96 118.68 121.08 3iet s LEU 160 Ca 0.18 -1.34 -0.03 0.00 -2.89 0.00 0.00 54.13 50.05 3iet s LEU 160 Cb -0.14 -1.00 -0.04 0.00 0.66 0.00 0.00 46.19 45.67 3iet s LEU 160 CO 0.08 -0.32 0.09 0.20 -1.89 0.00 0.00 176.35 174.50 3iet s ASN 161 N 1.51 5.83 -0.09 3.68 0.02 -1.26 -0.66 114.94 123.98 3iet s ASN 161 Ca 0.02 0.26 -0.07 0.00 -1.02 0.00 0.00 52.86 52.05 3iet s ASN 161 Cb -0.18 -1.75 0.03 0.00 0.02 0.00 0.00 41.25 39.37 3iet s ASN 161 CO -0.13 0.34 0.24 -0.55 0.02 0.00 0.00 177.10 177.02 3iet s SER 162 N -1.32 -0.25 0.11 -1.22 0.15 0.41 -4.99 113.70 106.60 3iet s SER 162 Ca 0.18 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.39 3iet s SER 162 Cb -0.12 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 3iet s SER 162 CO 0.08 -0.11 -0.18 0.26 1.20 0.00 0.00 173.24 174.49 3iet s TRP 163 N 0.58 1.62 0.50 3.44 0.51 -1.26 0.69 118.94 125.02 3iet s TRP 163 Ca -0.04 -0.46 -0.06 0.00 -2.12 0.00 0.00 56.10 53.43 3iet s TRP 163 Cb -0.05 -0.87 -0.03 0.00 -0.81 0.00 0.00 33.47 31.71 3iet s TRP 163 CO -0.03 0.19 0.81 0.95 -0.51 0.00 0.00 176.95 178.36 3iet s THR 164 N -1.49 4.71 1.16 2.01 -4.23 -0.51 -5.00 115.64 112.28 3iet s THR 164 Ca 0.07 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.65 3iet s THR 164 Cb -0.08 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.23 3iet s THR 164 CO 0.04 -0.81 1.03 -1.81 -0.54 0.00 0.00 174.62 172.54 3iet s ASP 165 N -4.14 1.07 0.30 3.99 1.01 -1.26 -4.64 116.67 113.00 3iet s ASP 165 Ca 0.49 1.43 -0.29 0.00 0.71 0.00 0.00 52.55 54.89 3iet s ASP 165 Cb -0.10 -2.22 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 3iet s ASP 165 CO 0.45 -4.14 1.39 -1.58 0.21 0.00 0.00 175.17 171.51 3iet s GLN 166 N -4.53 4.28 -0.48 8.23 0.74 -1.26 -4.75 119.66 121.88 3iet s GLN 166 Ca 0.68 2.31 -0.23 0.00 0.05 0.00 0.00 55.36 58.18 3iet s GLN 166 Cb -0.24 -3.07 0.03 0.00 1.10 0.00 0.00 33.01 30.83 3iet s GLN 166 CO 0.64 -0.34 0.79 0.34 -0.55 0.00 0.00 175.29 176.16 3iet s ASP 167 N -0.07 6.36 0.32 6.67 2.15 -0.73 -4.92 116.67 126.45 3iet s ASP 167 Ca 0.54 -0.31 0.14 0.00 0.43 0.00 0.00 52.55 53.35 3iet s ASP 167 Cb -0.42 -2.38 1.07 0.00 -0.30 0.00 0.00 42.92 40.90 3iet s ASP 167 CO 0.50 -0.98 1.45 -1.20 -0.17 0.00 0.00 175.17 174.78 3iet n SER 168 N 6.78 0.18 0.08 -0.34 7.64 -1.26 0.12 113.62 126.82 3iet n SER 168 Ca 0.01 1.54 -0.14 0.00 1.01 0.00 0.00 58.87 61.29 3iet n SER 168 Cb 0.48 -0.69 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 3iet n SER 168 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3iet h LYS 169 N 0.00 -0.57 0.00 1.43 3.64 -1.95 -3.32 116.57 115.81 3iet h LYS 169 Ca 0.71 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 3iet h LYS 169 Cb 1.78 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 3iet h LYS 169 CO -0.76 -0.38 0.00 -0.40 -2.27 0.00 0.00 179.45 175.64 3iet n ASP 170 N -5.45 0.98 0.00 4.20 3.85 -0.88 -5.01 116.55 114.25 3iet n ASP 170 Ca -0.06 -1.16 0.00 0.00 -0.71 0.00 0.00 54.79 52.86 3iet n ASP 170 Cb 0.37 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 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 -0.08 -3.70 -4.83 -1.12 7.64 0.32 -5.01 113.62 106.84 3iet n SER 171 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 3iet n SER 171 Cb 0.09 -1.52 0.07 0.00 -1.01 0.00 0.00 64.21 61.85 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 -1.76 2.38 0.35 0.44 -4.23 -1.25 -4.62 115.64 106.94 3iet s THR 172 Ca 0.00 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3iet s THR 172 Cb 0.00 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 3iet s THR 172 CO 0.00 0.00 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.76 3iet s TYR 173 N -3.02 2.52 0.01 3.99 1.51 0.56 -1.77 117.35 121.15 3iet s TYR 173 Ca 0.62 -0.47 -0.07 0.00 -1.01 0.00 0.00 57.07 56.14 3iet s TYR 173 Cb -0.08 -1.50 -0.00 0.00 -0.11 0.00 0.00 41.96 40.27 3iet s TYR 173 CO 0.42 0.49 0.13 -1.12 -1.11 0.00 0.00 175.55 174.36 3iet s SER 174 N -3.70 0.06 0.03 2.29 0.01 -1.26 -0.22 113.70 110.92 3iet s SER 174 Ca 0.35 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3iet s SER 174 Cb 0.01 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 3iet s SER 174 CO 0.19 -0.41 -0.04 -0.32 0.41 0.00 0.00 173.24 173.06 3iet s MET 175 N -1.75 0.44 -0.07 12.44 0.00 0.16 -1.43 119.30 129.09 3iet s MET 175 Ca -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 55.69 54.81 3iet s MET 175 Cb -0.06 0.00 0.02 0.00 0.00 0.00 0.00 34.83 34.79 3iet s MET 175 CO -0.00 -0.03 -0.10 0.45 0.00 0.00 0.00 175.02 175.33 3iet s SER 176 N -1.79 1.77 -0.10 1.11 0.15 0.22 -0.79 113.70 114.27 3iet s SER 176 Ca -0.10 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.31 3iet s SER 176 Cb -0.07 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 3iet s SER 176 CO -0.02 -0.01 -0.23 -0.55 1.20 0.00 0.00 173.24 173.63 3iet s SER 177 N 0.92 3.01 -0.17 5.45 0.15 -0.08 -0.45 113.70 122.54 3iet s SER 177 Ca -0.10 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.01 3iet s SER 177 Cb -0.15 -1.36 0.03 0.00 -1.71 0.00 0.00 66.02 62.83 3iet s SER 177 CO 0.01 0.15 -0.11 -0.89 1.20 0.00 0.00 173.24 173.60 3iet s THR 178 N 0.35 1.49 -0.28 6.45 2.01 0.17 -0.69 115.64 125.14 3iet s THR 178 Ca -0.18 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 3iet s THR 178 Cb -0.18 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 3iet s THR 178 CO 0.09 0.28 0.38 -0.22 -0.69 0.00 0.00 174.62 174.46 3iet s LEU 179 N 1.49 4.08 -0.11 4.42 2.96 -0.07 -0.73 118.68 130.72 3iet s LEU 179 Ca 0.02 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3iet s LEU 179 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 3iet s LEU 179 CO -0.09 -0.21 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.77 3iet s THR 180 N 2.09 3.63 0.17 3.68 2.01 -0.73 -0.16 115.64 126.33 3iet s THR 180 Ca 0.15 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.70 3iet s THR 180 Cb -0.16 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3iet s THR 180 CO 0.10 0.55 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.79 3iet s LEU 181 N -0.21 2.28 0.67 4.42 1.43 0.45 -4.75 118.68 122.97 3iet s LEU 181 Ca 0.03 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 3iet s LEU 181 Cb -0.13 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3iet s LEU 181 CO 0.03 -0.49 1.19 0.42 0.23 0.00 0.00 176.35 177.73 3iet s THR 182 N -3.53 2.55 0.47 5.49 -4.23 -1.26 -2.73 115.64 112.39 3iet s THR 182 Ca 0.21 0.29 0.15 0.00 -1.18 0.00 0.00 61.69 61.16 3iet s THR 182 Cb 0.05 -2.93 0.31 0.00 1.34 0.00 0.00 72.50 71.27 3iet s THR 182 CO 0.03 -0.12 2.05 0.50 -0.54 0.00 0.00 174.62 176.54 3iet h LYS 183 N 0.16 0.24 0.90 3.99 3.64 -1.84 -2.36 116.57 121.30 3iet h LYS 183 Ca -0.48 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 3iet h LYS 183 Cb 1.29 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3iet h LYS 183 CO 0.52 0.16 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.99 3iet h ASP 184 N 0.25 -1.03 0.12 4.20 3.45 -1.95 -2.06 116.42 119.41 3iet h ASP 184 Ca 0.16 0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.59 3iet h ASP 184 Cb 0.33 0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3iet h ASP 184 CO -0.03 -0.71 -0.21 -0.08 -1.57 0.00 0.00 179.24 176.64 3iet h GLU 185 N -1.26 0.17 -0.44 3.56 4.57 -1.93 -1.48 114.58 117.77 3iet h GLU 185 Ca -0.12 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.09 3iet h GLU 185 Cb 0.93 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.43 3iet h GLU 185 CO 0.20 0.38 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.47 3iet h TYR 186 N 0.16 -0.07 0.00 0.92 3.20 -1.39 -1.29 116.97 118.50 3iet h TYR 186 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3iet h TYR 186 Cb 0.47 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3iet h TYR 186 CO 0.01 -0.12 0.00 0.93 -1.64 0.00 0.00 178.16 177.34 3iet h GLU 187 N 0.09 0.00 0.00 1.82 5.08 -0.63 -3.07 114.58 117.86 3iet h GLU 187 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3iet h GLU 187 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iet h GLU 187 CO -0.39 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.16 3iet n ARG 188 N -2.31 0.06 -4.35 2.33 1.74 -0.49 -4.84 116.66 108.79 3iet n ARG 188 Ca 0.04 0.19 -0.18 0.00 -0.77 0.00 0.00 57.85 57.13 3iet n ARG 188 Cb 0.35 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 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 -3.06 1.65 0.00 -1.55 3.76 -1.16 -5.08 115.29 109.85 3iet s HIS 189 Ca 0.09 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 3iet s HIS 189 Cb 0.13 -0.97 0.00 0.00 1.11 0.00 0.00 32.58 32.85 3iet s HIS 189 CO 0.40 0.00 0.00 0.27 -0.85 0.00 0.00 174.74 174.57 3iet n ASN 190 N -0.47 0.00 -4.63 1.40 0.23 -1.26 -4.86 115.26 105.67 3iet n ASN 190 Ca -0.05 -0.24 -0.38 0.00 -0.53 0.00 0.00 54.58 53.39 3iet n ASN 190 Cb 0.64 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.24 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 6.15 -0.08 0.53 0.15 -1.26 -0.21 113.70 118.97 3iet s SER 191 Ca 0.00 0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.83 3iet s SER 191 Cb 0.00 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 3iet s SER 191 CO 0.00 -0.03 -0.16 -0.31 1.20 0.00 0.00 173.24 173.95 3iet s TYR 192 N 1.47 1.84 -0.05 3.44 1.51 -0.12 -0.75 117.35 124.68 3iet s TYR 192 Ca 0.10 -0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 3iet s TYR 192 Cb -0.15 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3iet s TYR 192 CO 0.08 -0.36 0.09 0.99 -1.11 0.00 0.00 175.55 175.24 3iet s THR 193 N 0.67 -0.16 -0.25 -0.71 2.01 -0.79 -0.11 115.64 116.30 3iet s THR 193 Ca -0.14 0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 3iet s THR 193 Cb -0.16 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3iet s THR 193 CO 0.04 0.16 0.15 0.00 -0.69 0.00 0.00 174.62 174.28 3iet n GLU 195 N 4.60 0.00 -0.97 0.00 2.13 -0.12 -1.83 120.64 124.45 3iet n GLU 195 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 3iet n GLU 195 Cb 0.52 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.95 3iet n GLU 195 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iet n ALA 196 N -2.12 -2.66 -3.40 4.31 0.00 -1.18 -3.12 120.51 112.35 3iet n ALA 196 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 3iet n ALA 196 Cb 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.46 3iet n ALA 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3iet s THR 197 N -0.42 2.39 0.04 0.00 2.01 0.65 -1.27 115.64 119.05 3iet s THR 197 Ca 0.00 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 3iet s THR 197 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3iet s THR 197 CO 0.00 0.54 0.01 -2.28 -0.69 0.00 0.00 174.62 172.19 3iet s HIS 198 N 0.62 0.38 0.34 4.92 2.46 -1.26 -1.92 115.29 120.84 3iet s HIS 198 Ca -0.10 -0.82 0.11 0.00 0.47 0.00 0.00 55.06 54.72 3iet s HIS 198 Cb -0.16 -0.28 0.90 0.00 -0.13 0.00 0.00 32.58 32.90 3iet s HIS 198 CO 0.03 -0.35 1.78 -0.22 -2.47 0.00 0.00 174.74 173.51 3iet h LYS 199 N 3.55 0.58 0.00 2.88 3.64 -1.93 -2.10 116.57 123.19 3iet h LYS 199 Ca -0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3iet h LYS 199 Cb 1.17 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3iet h LYS 199 CO 0.57 0.39 0.00 0.25 -2.27 0.00 0.00 179.45 178.39 3iet n THR 200 N -4.71 0.33 -4.29 1.00 -2.24 -1.26 -4.72 114.28 98.40 3iet n THR 200 Ca 0.24 0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.92 3iet n THR 200 Cb 0.68 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 68.05 3iet n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iet s SER 201 N -2.58 1.07 -0.00 3.42 0.15 -0.79 -4.94 113.70 110.03 3iet s SER 201 Ca 0.20 -0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.39 3iet s SER 201 Cb 0.14 -0.08 -0.25 0.00 -1.71 0.00 0.00 66.02 64.12 3iet s SER 201 CO 0.33 0.04 1.07 0.71 1.20 0.00 0.00 173.24 176.59 3iet h THR 202 N 4.79 1.43 -2.05 6.45 1.35 -1.84 -3.42 112.91 119.62 3iet h THR 202 Ca -0.32 -2.17 -0.51 0.00 -0.55 0.00 0.00 66.41 62.86 3iet h THR 202 Cb 1.18 2.69 -0.05 0.00 -1.73 0.00 0.00 68.15 70.25 3iet h THR 202 CO 0.47 0.63 -0.51 -0.94 -0.25 0.00 0.00 175.52 174.93 3iet s SER 203 N -6.82 5.32 0.61 5.36 1.04 -1.26 -5.05 113.70 112.89 3iet s SER 203 Ca -0.13 -0.40 -0.18 0.00 0.48 0.00 0.00 55.95 55.72 3iet s SER 203 Cb 0.03 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 3iet s SER 203 CO 0.83 -0.16 0.99 -2.65 0.98 0.00 0.00 173.24 173.23 3iet n PRO 204 N -1.23 0.90 -3.12 4.02 -0.02 -1.26 -4.88 135.00 129.41 3iet n PRO 204 Ca -0.05 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3iet n PRO 204 Cb 0.59 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3iet n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3iet s ILE 205 N -1.51 4.82 -0.12 4.25 1.01 -0.39 -5.04 121.20 124.22 3iet s ILE 205 Ca 0.77 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3iet s ILE 205 Cb -0.41 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 3iet s ILE 205 CO 0.46 -0.74 0.06 -0.69 0.00 0.00 0.00 174.94 174.03 3iet s VAL 206 N 2.80 4.83 -0.05 2.92 1.01 -1.26 -4.14 120.40 126.52 3iet s VAL 206 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3iet s VAL 206 Cb -0.17 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3iet s VAL 206 CO 0.15 0.57 0.06 -0.75 0.00 0.00 0.00 175.10 175.13 3iet s LYS 207 N -0.57 -0.00 0.08 2.72 2.47 -0.76 -5.03 119.74 118.65 3iet s LYS 207 Ca 0.11 0.32 0.02 0.00 -1.56 0.00 0.00 55.97 54.87 3iet s LYS 207 Cb -0.12 -0.64 -0.04 0.00 -1.46 0.00 0.00 37.83 35.58 3iet s LYS 207 CO 0.02 -0.35 -0.08 -1.12 0.16 0.00 0.00 175.35 173.98 3iet s SER 208 N 2.15 1.16 0.08 1.43 0.01 -1.26 -0.33 113.70 116.94 3iet s SER 208 Ca 0.05 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.51 3iet s SER 208 Cb -0.12 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 3iet s SER 208 CO -0.04 -0.33 -0.07 0.72 0.41 0.00 0.00 173.24 173.94 3iet s PHE 209 N -2.63 0.79 -0.08 2.43 -0.12 0.84 -4.99 117.98 114.23 3iet s PHE 209 Ca 0.04 -0.80 0.03 0.00 -0.05 0.00 0.00 56.93 56.14 3iet s PHE 209 Cb -0.02 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 3iet s PHE 209 CO -0.02 -0.15 -0.17 -0.80 -0.05 0.00 0.00 175.22 174.03 3iet s ASN 210 N -2.60 3.70 0.19 1.98 0.01 -1.25 -0.95 114.94 116.01 3iet s ASN 210 Ca 0.05 -0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 51.55 3iet s ASN 210 Cb 0.01 -1.12 -0.08 0.00 0.41 0.00 0.00 41.25 40.47 3iet s ASN 210 CO -0.04 0.25 0.95 -0.13 -1.51 0.00 0.00 177.10 176.62 3iet s ARG 211 N -0.16 4.79 -0.78 -0.60 0.52 0.70 -4.99 118.95 118.44 3iet s ARG 211 Ca -0.02 1.48 -0.01 0.00 -0.52 0.00 0.00 55.73 56.67 3iet s ARG 211 Cb -0.14 -3.32 0.19 0.00 0.52 0.00 0.00 34.95 32.21 3iet s ARG 211 CO 0.03 0.40 0.62 -2.00 0.02 0.00 0.00 175.30 174.38 3iet s GLU 212 N -0.72 2.91 0.00 3.54 -6.30 -1.26 -4.91 118.70 111.95 3iet s GLU 212 Ca 0.43 -3.09 0.00 0.00 -2.50 0.00 0.00 54.97 49.81 3iet s GLU 212 Cb -0.25 -3.78 0.00 0.00 0.00 0.00 0.00 34.13 30.10 3iet s GLU 212 CO 0.31 -1.24 0.33 0.00 0.02 0.00 0.00 175.26 174.68