#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5i s VAL 2 N 0.00 4.94 -0.29 1.61 1.01 -1.26 -4.33 120.40 122.08 1s5i s VAL 2 Ca 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 1s5i s VAL 2 Cb 0.00 -3.70 0.15 0.00 0.00 0.00 0.00 36.38 32.83 1s5i s VAL 2 CO 0.00 -0.29 1.13 -1.58 0.00 0.00 0.00 175.10 174.36 1s5i s GLN 3 N -3.39 0.33 0.05 2.72 0.74 -0.81 -4.99 119.66 114.30 1s5i s GLN 3 Ca 0.47 0.45 0.07 0.00 0.05 0.00 0.00 55.36 56.40 1s5i s GLN 3 Cb -0.11 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 1s5i s GLN 3 CO 0.27 -0.05 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.27 1s5i s LEU 4 N 0.54 2.62 -0.13 3.68 1.02 -1.26 -1.34 118.68 123.81 1s5i s LEU 4 Ca -0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 54.13 53.65 1s5i s LEU 4 Cb -0.04 -1.52 0.05 0.00 0.02 0.00 0.00 46.19 44.70 1s5i s LEU 4 CO -0.11 0.25 0.31 -1.10 0.02 0.00 0.00 176.35 175.72 1s5i s GLN 5 N -1.50 0.27 0.17 1.70 -1.52 -0.50 -4.25 119.66 114.03 1s5i s GLN 5 Ca 0.15 0.66 -0.14 0.00 -1.95 0.00 0.00 55.36 54.08 1s5i s GLN 5 Cb -0.10 -0.06 -0.07 0.00 -0.22 0.00 0.00 33.01 32.55 1s5i s GLN 5 CO 0.06 -0.18 0.56 -1.21 -0.25 0.00 0.00 175.29 174.27 1s5i s GLU 6 N 1.47 3.97 0.01 2.91 8.01 -1.26 -1.03 118.70 132.78 1s5i s GLU 6 Ca -0.08 0.49 -0.06 0.00 0.01 0.00 0.00 54.97 55.33 1s5i s GLU 6 Cb -0.10 -2.88 -0.00 0.00 -4.31 0.00 0.00 34.13 26.84 1s5i s GLU 6 CO -0.10 0.45 0.10 -1.54 0.01 0.00 0.00 175.26 174.18 1s5i s SER 7 N -1.81 0.08 0.00 -0.19 1.04 0.10 -4.91 113.70 108.00 1s5i s SER 7 Ca 0.40 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1s5i s SER 7 Cb -0.14 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1s5i s SER 7 CO 0.19 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1s5i n GLY 8 N 1.44 1.70 3.70 7.32 0.00 -1.26 -0.51 105.19 117.57 1s5i n GLY 8 Ca -0.23 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1s5i n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s5i n PRO 9 N -1.47 0.55 -0.01 1.61 -0.02 -1.26 -4.93 135.00 129.47 1s5i n PRO 9 Ca 0.00 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1s5i n PRO 9 Cb 0.00 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 30.91 1s5i n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5i n GLY 10 N 0.74 -0.67 3.15 -1.23 0.00 -1.26 -4.78 105.19 101.15 1s5i n GLY 10 Ca 0.14 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1s5i n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s5i s LEU 11 N -3.80 1.93 -0.06 0.99 2.96 -1.26 -0.68 118.68 118.76 1s5i s LEU 11 Ca -0.03 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1s5i s LEU 11 Cb 0.10 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.79 1s5i s LEU 11 CO 0.65 0.16 0.18 -0.69 -1.32 0.00 0.00 176.35 175.34 1s5i s VAL 12 N 0.03 0.01 0.38 1.68 1.01 -0.38 -4.96 120.40 118.17 1s5i s VAL 12 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1s5i s VAL 12 Cb -0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 1s5i s VAL 12 CO 0.03 -0.04 0.90 -0.54 0.00 0.00 0.00 175.10 175.44 1s5i s LYS 13 N -0.07 4.25 0.53 2.72 1.02 -1.26 -0.56 119.74 126.38 1s5i s LYS 13 Ca -0.02 1.06 -0.22 0.00 0.02 0.00 0.00 55.97 56.81 1s5i s LYS 13 Cb -0.02 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1s5i s LYS 13 CO 0.00 0.08 1.28 -1.25 -0.92 0.00 0.00 175.35 174.55 1s5i s PRO 14 N -2.88 3.28 0.00 -1.68 0.04 -1.26 -1.92 135.00 130.59 1s5i s PRO 14 Ca 0.57 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1s5i s PRO 14 Cb -0.11 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1s5i s PRO 14 CO 0.16 -1.02 0.00 0.45 0.04 0.00 0.00 177.00 176.63 1s5i n SER 15 N -0.98 0.00 -3.07 6.66 2.88 0.27 -4.93 113.62 114.46 1s5i n SER 15 Ca 0.10 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.48 1s5i n SER 15 Cb 0.47 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.06 1s5i n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s5i n GLN 16 N -1.05 -2.40 -4.44 -1.46 6.02 -0.81 -3.98 117.38 109.27 1s5i n GLN 16 Ca 0.00 -0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 55.76 1s5i n GLN 16 Cb 0.00 -0.89 -0.15 0.00 1.02 0.00 0.00 30.24 30.22 1s5i n GLN 16 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s5i s SER 17 N -2.97 3.55 0.18 1.08 0.15 -1.26 -2.42 113.70 112.00 1s5i s SER 17 Ca 0.37 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1s5i s SER 17 Cb -0.04 -1.55 -0.07 0.00 -1.71 0.00 0.00 66.02 62.65 1s5i s SER 17 CO 0.29 0.06 0.98 -0.22 1.20 0.00 0.00 173.24 175.55 1s5i s LEU 18 N 0.94 4.56 -0.17 3.45 0.20 0.57 -4.91 118.68 123.33 1s5i s LEU 18 Ca -0.03 1.91 -0.04 0.00 0.69 0.00 0.00 54.13 56.66 1s5i s LEU 18 Cb -0.15 -3.60 0.06 0.00 -0.43 0.00 0.00 46.19 42.07 1s5i s LEU 18 CO -0.03 0.00 0.07 -0.55 -0.29 0.00 0.00 176.35 175.56 1s5i s SER 19 N -0.53 2.41 0.16 3.68 0.15 -1.26 -1.41 113.70 116.90 1s5i s SER 19 Ca 0.45 -0.61 0.10 0.00 0.70 0.00 0.00 55.95 56.58 1s5i s SER 19 Cb -0.26 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1s5i s SER 19 CO 0.32 -0.33 -0.18 -0.76 1.20 0.00 0.00 173.24 173.49 1s5i s LEU 20 N 2.05 2.68 -0.02 3.45 1.43 -0.21 -4.42 118.68 123.64 1s5i s LEU 20 Ca 0.01 -0.67 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1s5i s LEU 20 Cb -0.16 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1s5i s LEU 20 CO -0.08 0.14 -0.21 -0.89 0.23 0.00 0.00 176.35 175.53 1s5i s THR 21 N -1.48 1.68 -0.13 5.49 2.01 0.33 -1.09 115.64 122.44 1s5i s THR 21 Ca 0.21 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1s5i s THR 21 Cb -0.09 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.04 1s5i s THR 21 CO 0.11 0.47 -0.15 0.00 -0.69 0.00 0.00 174.62 174.37 1s5i s THR 23 N 1.24 4.15 -0.09 0.00 2.01 -0.20 -1.96 115.64 120.79 1s5i s THR 23 Ca -0.01 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1s5i s THR 23 Cb -0.14 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1s5i s THR 23 CO -0.06 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1s5i s VAL 24 N -0.26 2.76 -0.06 3.82 1.01 -1.02 -1.41 120.40 125.24 1s5i s VAL 24 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1s5i s VAL 24 Cb -0.12 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1s5i s VAL 24 CO 0.02 0.55 -0.06 0.42 0.00 0.00 0.00 175.10 176.04 1s5i s THR 25 N -0.02 0.70 0.00 3.92 -4.23 -0.45 -4.76 115.64 110.81 1s5i s THR 25 Ca -0.05 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1s5i s THR 25 Cb -0.14 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.97 1s5i s THR 25 CO 0.04 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1s5i n GLY 26 N 4.36 0.86 3.60 3.99 0.00 -1.26 -1.92 105.19 114.82 1s5i n GLY 26 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1s5i n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s5i s TYR 27 N -2.00 -0.46 -0.24 1.61 5.04 -1.26 -4.75 117.35 115.30 1s5i s TYR 27 Ca 0.00 0.94 -0.21 0.00 -2.44 0.00 0.00 57.07 55.37 1s5i s TYR 27 Cb 0.00 0.40 -0.02 0.00 0.35 0.00 0.00 41.96 42.69 1s5i s TYR 27 CO 0.00 -0.33 0.64 0.45 -1.34 0.00 0.00 175.55 174.96 1s5i s SER 28 N -0.56 6.62 0.00 4.32 0.15 -1.26 -4.92 113.70 118.05 1s5i s SER 28 Ca -0.01 0.76 0.06 0.00 0.70 0.00 0.00 55.95 57.46 1s5i s SER 28 Cb -0.02 -2.34 0.31 0.00 -1.71 0.00 0.00 66.02 62.25 1s5i s SER 28 CO -0.00 -0.34 0.93 2.30 1.20 0.00 0.00 173.24 177.32 1s5i n ILE 29 N 5.03 0.52 -0.01 6.45 -5.35 -1.26 -1.43 119.36 123.32 1s5i n ILE 29 Ca -0.01 0.13 0.11 0.00 -0.27 0.00 0.00 62.75 62.71 1s5i n ILE 29 Cb 0.49 -1.04 -0.17 0.00 -1.74 0.00 0.00 39.64 37.19 1s5i n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1s5i n THR 30 N -1.16 0.01 0.00 7.28 -2.24 -1.26 -3.96 114.28 112.95 1s5i n THR 30 Ca 0.03 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1s5i n THR 30 Cb 0.03 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1s5i n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s5i n SER 31 N -2.27 0.00 -4.09 3.42 7.64 -0.51 -4.69 113.62 113.12 1s5i n SER 31 Ca -0.04 0.61 -0.10 0.00 1.01 0.00 0.00 58.87 60.35 1s5i n SER 31 Cb 0.57 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 1s5i n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s5i s ASP 32 N -1.98 0.06 0.00 6.43 2.15 -1.26 -4.95 116.67 117.13 1s5i s ASP 32 Ca 0.00 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.85 1s5i s ASP 32 Cb 0.00 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1s5i s ASP 32 CO 0.00 -0.94 0.00 -1.22 -0.17 0.00 0.00 175.17 172.84 1s5i n TYR 33 N -0.29 0.00 -5.09 -5.34 0.53 -1.26 -4.76 117.16 100.95 1s5i n TYR 33 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.90 56.55 1s5i n TYR 33 Cb 0.64 0.00 -0.15 0.00 -1.03 0.00 0.00 39.34 38.80 1s5i n TYR 33 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1s5i s ALA 34 N -1.68 2.39 -0.19 -0.72 0.00 -1.26 -1.93 121.76 118.37 1s5i s ALA 34 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1s5i s ALA 34 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1s5i s ALA 34 CO 0.00 0.46 0.03 -1.58 0.00 0.00 0.00 175.76 174.67 1s5i s TRP 35 N -0.38 3.13 0.26 0.00 0.52 -0.28 -3.89 118.94 118.29 1s5i s TRP 35 Ca 0.03 -0.19 0.11 0.00 0.02 0.00 0.00 56.10 56.07 1s5i s TRP 35 Cb -0.12 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1s5i s TRP 35 CO 0.02 -0.05 -0.10 -0.80 0.02 0.00 0.00 176.95 176.04 1s5i s ASN 35 N 0.68 4.09 -0.17 2.95 0.01 0.24 -1.53 114.94 121.22 1s5i s ASN 35 Ca 0.01 -0.80 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 1s5i s ASN 35 Cb -0.14 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 40.95 1s5i s ASN 35 CO 0.02 0.03 -0.18 0.26 -1.51 0.00 0.00 177.10 175.72 1s5i s TRP 36 N -2.31 2.57 0.07 2.20 0.52 -0.88 -0.25 118.94 120.85 1s5i s TRP 36 Ca 0.30 -1.48 0.06 0.00 0.02 0.00 0.00 56.10 55.00 1s5i s TRP 36 Cb -0.06 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 1s5i s TRP 36 CO 0.17 -0.74 -0.17 0.42 0.02 0.00 0.00 176.95 176.65 1s5i s ILE 37 N 1.30 1.39 0.04 2.03 1.01 -0.05 -1.53 121.20 125.38 1s5i s ILE 37 Ca 0.04 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.48 1s5i s ILE 37 Cb -0.13 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1s5i s ILE 37 CO -0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 174.94 174.64 1s5i s ARG 38 N -1.51 1.09 -0.22 2.79 1.70 -0.59 -0.44 118.95 121.79 1s5i s ARG 38 Ca 0.03 -0.79 -0.03 0.00 -0.47 0.00 0.00 55.73 54.47 1s5i s ARG 38 Cb -0.09 -1.13 -0.00 0.00 -0.57 0.00 0.00 34.95 33.15 1s5i s ARG 38 CO 0.02 0.29 -0.06 -1.14 -1.08 0.00 0.00 175.30 173.33 1s5i s GLN 39 N -1.07 3.29 0.35 3.89 0.74 -0.12 -0.28 119.66 126.47 1s5i s GLN 39 Ca 0.04 -0.67 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 1s5i s GLN 39 Cb -0.08 -2.96 -0.09 0.00 1.10 0.00 0.00 33.01 30.98 1s5i s GLN 39 CO 0.01 -0.21 0.78 -0.06 -0.55 0.00 0.00 175.29 175.26 1s5i s PHE 40 N 1.45 3.37 0.27 1.67 0.08 -0.05 -1.35 117.98 123.42 1s5i s PHE 40 Ca 0.05 1.27 -0.30 0.00 0.12 0.00 0.00 56.93 58.07 1s5i s PHE 40 Cb -0.14 -2.58 -0.11 0.00 -0.57 0.00 0.00 43.02 39.61 1s5i s PHE 40 CO -0.05 0.03 1.61 -1.25 -0.10 0.00 0.00 175.22 175.46 1s5i s PRO 41 N -3.13 4.13 0.00 0.24 0.04 -1.26 -0.35 135.00 134.67 1s5i s PRO 41 Ca 0.55 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.16 1s5i s PRO 41 Cb -0.10 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1s5i s PRO 41 CO 0.18 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1s5i n GLY 42 N 2.54 1.63 1.90 0.56 0.00 -1.26 -4.72 105.19 105.84 1s5i n GLY 42 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1s5i n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s5i n ASN 43 N 0.00 0.00 -4.73 1.61 3.02 0.52 -5.05 115.26 110.63 1s5i n ASN 43 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1s5i n ASN 43 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1s5i n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1s5i s LYS 44 N -0.37 4.29 0.17 3.52 -2.85 -1.24 -4.71 119.74 118.55 1s5i s LYS 44 Ca 0.00 2.23 -0.02 0.00 -1.00 0.00 0.00 55.97 57.18 1s5i s LYS 44 Cb 0.00 -3.16 -0.05 0.00 -2.06 0.00 0.00 37.83 32.56 1s5i s LYS 44 CO 0.00 -0.43 0.36 -0.51 0.10 0.00 0.00 175.35 174.87 1s5i s LEU 45 N 0.26 4.26 -0.19 2.77 1.43 -1.26 -0.87 118.68 125.07 1s5i s LEU 45 Ca 0.62 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1s5i s LEU 45 Cb -0.40 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 42.73 1s5i s LEU 45 CO 0.37 0.01 0.24 -0.70 0.23 0.00 0.00 176.35 176.51 1s5i s GLU 46 N -3.02 0.19 0.13 1.70 2.12 0.61 -4.98 118.70 115.45 1s5i s GLU 46 Ca 0.39 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.76 1s5i s GLU 46 Cb -0.12 -0.87 -0.09 0.00 0.26 0.00 0.00 34.13 33.32 1s5i s GLU 46 CO 0.28 -0.57 1.49 -0.46 -0.54 0.00 0.00 175.26 175.46 1s5i s TRP 47 N 2.36 3.10 -0.26 5.30 -0.00 -1.26 -1.54 118.94 126.64 1s5i s TRP 47 Ca 0.06 0.76 -0.12 0.00 -0.00 0.00 0.00 56.10 56.80 1s5i s TRP 47 Cb -0.15 -3.81 -0.11 0.00 -0.00 0.00 0.00 33.47 29.40 1s5i s TRP 47 CO -0.11 -2.95 -0.33 -1.33 -0.00 0.00 0.00 176.95 172.23 1s5i n MET 48 N 4.11 0.55 -3.08 5.86 2.81 -0.58 -4.72 117.12 122.07 1s5i n MET 48 Ca 0.13 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 1s5i n MET 48 Cb 0.40 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1s5i n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s5i n GLY 49 N 1.44 -1.23 3.60 3.03 0.00 -1.20 -0.61 105.19 110.22 1s5i n GLY 49 Ca -0.50 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1s5i n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s5i s TYR 50 N -2.01 0.53 -0.10 1.61 -0.85 0.13 -2.07 117.35 114.60 1s5i s TYR 50 Ca 0.00 -0.90 -0.04 0.00 -0.52 0.00 0.00 57.07 55.61 1s5i s TYR 50 Cb 0.00 0.21 0.05 0.00 0.38 0.00 0.00 41.96 42.60 1s5i s TYR 50 CO 0.00 -1.13 0.21 -1.50 -1.52 0.00 0.00 175.55 171.62 1s5i s ILE 51 N -3.48 -0.15 0.67 -3.49 2.07 -0.58 -2.19 121.20 114.05 1s5i s ILE 51 Ca 0.24 0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 1s5i s ILE 51 Cb -0.01 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.24 1s5i s ILE 51 CO 0.13 0.09 1.03 0.42 -1.91 0.00 0.00 174.94 174.70 1s5i s THR 52 N 1.61 3.47 -1.47 4.00 -4.23 0.12 -1.13 115.64 118.02 1s5i s THR 52 Ca -0.05 0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 1s5i s THR 52 Cb -0.11 -3.44 0.11 0.00 1.34 0.00 0.00 72.50 70.39 1s5i s THR 52 CO -0.08 -0.54 1.02 0.00 -0.54 0.00 0.00 174.62 174.48 1s5i n TYR 53 N -2.87 0.00 0.74 3.99 0.18 -0.81 -0.90 117.16 117.49 1s5i n TYR 53 Ca 0.06 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.95 1s5i n TYR 53 Cb 0.57 -0.27 -0.07 0.00 -0.38 0.00 0.00 39.34 39.20 1s5i n TYR 53 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1s5i n SER 54 N -1.27 0.71 0.00 9.48 7.64 -1.26 -4.52 113.62 124.40 1s5i n SER 54 Ca 0.03 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1s5i n SER 54 Cb 0.05 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 1s5i n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5i n GLY 55 N 1.43 0.35 3.84 0.23 0.00 -0.07 -5.08 105.19 105.89 1s5i n GLY 55 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1s5i n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5i s SER 56 N -2.16 6.83 0.18 1.61 1.04 -1.26 -4.78 113.70 115.16 1s5i s SER 56 Ca 0.00 1.37 0.09 0.00 0.48 0.00 0.00 55.95 57.89 1s5i s SER 56 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1s5i s SER 56 CO 0.00 -0.21 -0.19 0.42 0.98 0.00 0.00 173.24 174.24 1s5i s THR 57 N -1.98 1.90 -0.03 2.02 -4.23 -1.26 0.12 115.64 112.19 1s5i s THR 57 Ca 0.55 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1s5i s THR 57 Cb -0.11 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.83 1s5i s THR 57 CO 0.17 -0.33 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.06 1s5i s GLY 58 N -2.77 0.32 0.09 3.99 0.00 -0.93 -4.98 107.32 103.04 1s5i s GLY 58 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.92 1s5i s GLY 58 CO 0.07 0.25 -0.20 -0.19 0.00 0.00 0.00 173.10 173.03 1s5i s TYR 59 N 0.56 1.73 -0.01 1.90 2.02 -1.26 -0.69 117.35 121.60 1s5i s TYR 59 Ca -0.07 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 1s5i s TYR 59 Cb -0.10 -0.96 -0.06 0.00 -0.40 0.00 0.00 41.96 40.44 1s5i s TYR 59 CO -0.00 0.18 1.59 1.21 -1.57 0.00 0.00 175.55 176.95 1s5i s ASN 60 N -1.78 6.70 0.29 2.29 2.47 0.22 -4.80 114.94 120.32 1s5i s ASN 60 Ca 0.06 2.26 0.01 0.00 0.42 0.00 0.00 52.86 55.60 1s5i s ASN 60 Cb -0.10 -2.55 0.69 0.00 -1.45 0.00 0.00 41.25 37.85 1s5i s ASN 60 CO 0.04 -0.87 1.50 -2.65 -3.72 0.00 0.00 177.10 171.40 1s5i n PRO 61 N 6.33 -0.08 0.12 0.43 -0.02 -1.26 0.68 135.00 141.21 1s5i n PRO 61 Ca 0.16 1.45 0.10 0.00 -2.02 0.00 0.00 63.50 63.19 1s5i n PRO 61 Cb 0.42 -2.28 0.48 0.00 -0.02 0.00 0.00 33.50 32.10 1s5i n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s5i n SER 62 N -5.45 0.52 -0.04 2.55 3.41 -1.26 -2.81 113.62 110.54 1s5i n SER 62 Ca 0.22 0.68 -0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1s5i n SER 62 Cb 0.70 -0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 1s5i n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s5i n LEU 63 N -2.13 0.00 -0.04 1.04 4.77 0.22 -4.80 117.00 116.06 1s5i n LEU 63 Ca 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1s5i n LEU 63 Cb 0.13 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1s5i n LEU 63 CO 0.14 0.18 0.06 0.29 -1.33 0.00 0.00 177.39 176.73 1s5i n LYS 64 N -2.25 -0.04 -0.42 3.23 4.76 -0.42 -0.07 118.16 122.96 1s5i n LYS 64 Ca -0.13 0.16 0.40 0.00 -2.87 0.00 0.00 58.31 55.87 1s5i n LYS 64 Cb 0.68 -0.23 0.72 0.00 -1.84 0.00 0.00 35.03 34.36 1s5i n LYS 64 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1s5i h SER 65 N 0.00 0.00 0.00 4.39 4.64 -1.87 -3.03 113.55 117.68 1s5i h SER 65 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s5i h SER 65 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1s5i h SER 65 CO -0.08 0.00 -0.17 -2.11 -0.87 0.00 0.00 176.83 173.60 1s5i n ARG 66 N -3.87 0.52 -4.12 4.77 1.85 0.91 -5.04 116.66 111.67 1s5i n ARG 66 Ca 0.31 -1.02 -0.28 0.00 -1.00 0.00 0.00 57.85 55.86 1s5i n ARG 66 Cb 1.55 -0.67 -0.07 0.00 -1.05 0.00 0.00 32.46 32.22 1s5i n ARG 66 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1s5i s ILE 67 N -0.43 4.15 -0.17 8.89 2.07 -1.11 -1.89 121.20 132.70 1s5i s ILE 67 Ca 0.03 -1.07 -0.11 0.00 -1.41 0.00 0.00 60.65 58.09 1s5i s ILE 67 Cb 0.03 -3.04 0.05 0.00 0.13 0.00 0.00 42.46 39.63 1s5i s ILE 67 CO 0.00 0.01 0.43 -0.44 -1.91 0.00 0.00 174.94 173.04 1s5i s SER 68 N -2.65 -0.52 -0.11 4.50 0.01 -0.58 -4.94 113.70 109.41 1s5i s SER 68 Ca 0.28 0.92 -0.00 0.00 1.31 0.00 0.00 55.95 58.45 1s5i s SER 68 Cb -0.11 0.84 0.02 0.00 0.21 0.00 0.00 66.02 66.99 1s5i s SER 68 CO 0.20 -0.18 -0.07 -0.63 0.41 0.00 0.00 173.24 172.97 1s5i s ILE 69 N 1.03 0.98 0.30 1.44 1.01 -1.26 -1.08 121.20 123.62 1s5i s ILE 69 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.35 1s5i s ILE 69 Cb -0.06 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 1s5i s ILE 69 CO -0.09 0.36 0.09 0.35 0.00 0.00 0.00 174.94 175.65 1s5i n THR 70 N 4.88 0.00 -4.04 2.92 -2.24 -1.08 -4.95 114.28 109.77 1s5i n THR 70 Ca -0.13 -1.71 -0.10 0.00 -2.27 0.00 0.00 64.05 59.84 1s5i n THR 70 Cb 0.50 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1s5i n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s5i s ARG 71 N -3.15 1.55 -0.42 -0.78 1.70 -1.26 -0.98 118.95 115.61 1s5i s ARG 71 Ca 0.13 -1.37 0.02 0.00 -0.47 0.00 0.00 55.73 54.04 1s5i s ARG 71 Cb 0.01 0.44 0.15 0.00 -0.57 0.00 0.00 34.95 34.98 1s5i s ARG 71 CO 0.09 -0.63 0.28 0.34 -1.08 0.00 0.00 175.30 174.30 1s5i s ASP 72 N -3.07 2.86 0.62 -2.89 -1.08 -0.33 -4.96 116.67 107.83 1s5i s ASP 72 Ca 0.26 -2.68 0.31 0.00 -0.52 0.00 0.00 52.55 49.91 1s5i s ASP 72 Cb 0.00 -0.68 1.69 0.00 -1.46 0.00 0.00 42.92 42.48 1s5i s ASP 72 CO 0.11 -0.24 2.02 0.71 0.52 0.00 0.00 175.17 178.29 1s5i h THR 73 N 4.92 0.24 0.00 1.71 1.35 -1.97 0.19 112.91 119.36 1s5i h THR 73 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.94 1s5i h THR 73 Cb 0.92 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1s5i h THR 73 CO 0.39 0.00 -0.15 0.77 -0.25 0.00 0.00 175.52 176.28 1s5i h SER 74 N 0.00 0.00 -0.00 5.36 4.64 -1.95 -3.20 113.55 118.40 1s5i h SER 74 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1s5i h SER 74 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1s5i h SER 74 CO -0.00 0.14 -0.62 0.29 -0.87 0.00 0.00 176.83 175.77 1s5i n LYS 75 N -3.13 2.21 -3.36 4.77 5.02 0.11 -5.01 118.16 118.78 1s5i n LYS 75 Ca 0.03 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 1s5i n LYS 75 Cb 0.59 -1.18 0.09 0.00 -0.02 0.00 0.00 35.03 34.50 1s5i n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s5i n ASN 76 N -1.16 -2.13 -3.77 4.39 4.05 0.44 -4.84 115.26 112.23 1s5i n ASN 76 Ca 0.03 -0.59 -0.13 0.00 0.45 0.00 0.00 54.58 54.34 1s5i n ASN 76 Cb 0.24 -4.92 -0.12 0.00 1.23 0.00 0.00 39.78 36.21 1s5i n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1s5i s GLN 77 N -5.28 0.30 0.09 1.20 -2.07 -1.16 -2.43 119.66 110.32 1s5i s GLN 77 Ca 0.01 0.40 0.07 0.00 -1.82 0.00 0.00 55.36 54.01 1s5i s GLN 77 Cb -0.00 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1s5i s GLN 77 CO 0.70 -0.05 -0.11 -0.59 -1.32 0.00 0.00 175.29 173.91 1s5i s PHE 78 N 0.30 2.72 0.16 9.60 -0.71 -0.83 -1.18 117.98 128.04 1s5i s PHE 78 Ca -0.01 -0.16 0.08 0.00 -1.04 0.00 0.00 56.93 55.79 1s5i s PHE 78 Cb -0.03 -1.44 -0.04 0.00 -1.21 0.00 0.00 43.02 40.29 1s5i s PHE 78 CO -0.01 0.40 -0.08 -0.06 -1.34 0.00 0.00 175.22 174.13 1s5i s PHE 79 N -1.16 2.70 -0.10 3.49 0.08 -0.16 -1.86 117.98 120.97 1s5i s PHE 79 Ca 0.20 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.10 1s5i s PHE 79 Cb -0.11 -1.34 -0.00 0.00 -0.57 0.00 0.00 43.02 41.00 1s5i s PHE 79 CO 0.12 0.49 -0.23 -1.17 -0.10 0.00 0.00 175.22 174.33 1s5i s LEU 80 N -2.71 2.15 -0.11 -0.37 2.96 -0.25 -2.63 118.68 117.73 1s5i s LEU 80 Ca 0.25 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1s5i s LEU 80 Cb -0.09 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1s5i s LEU 80 CO 0.15 0.17 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.70 1s5i s GLN 81 N 0.31 1.51 -0.09 1.98 0.74 -0.24 -1.05 119.66 122.82 1s5i s GLN 81 Ca -0.17 -0.25 0.04 0.00 0.05 0.00 0.00 55.36 55.02 1s5i s GLN 81 Cb -0.18 -1.57 -0.01 0.00 1.10 0.00 0.00 33.01 32.35 1s5i s GLN 81 CO 0.08 -0.26 -0.20 -1.17 -0.55 0.00 0.00 175.29 173.19 1s5i s LEU 82 N 1.68 2.32 0.29 3.68 2.96 -0.50 -1.52 118.68 127.59 1s5i s LEU 82 Ca 0.04 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1s5i s LEU 82 Cb -0.13 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1s5i s LEU 82 CO -0.08 0.22 0.30 0.20 -1.32 0.00 0.00 176.35 175.67 1s5i s ASN 82 N 0.02 5.68 -1.28 3.68 0.01 -0.79 -0.31 114.94 121.94 1s5i s ASN 82 Ca -0.07 -0.25 -0.19 0.00 -0.71 0.00 0.00 52.86 51.64 1s5i s ASN 82 Cb -0.15 -1.35 0.01 0.00 0.41 0.00 0.00 41.25 40.18 1s5i s ASN 82 CO 0.05 -0.19 0.56 -1.20 -1.51 0.00 0.00 177.10 174.80 1s5i n SER 82 N -1.35 -2.95 -4.77 -1.22 7.64 -1.09 -4.88 113.62 105.00 1s5i n SER 82 Ca -0.05 -1.16 -0.39 0.00 1.01 0.00 0.00 58.87 58.28 1s5i n SER 82 Cb 0.58 -2.40 -0.02 0.00 -1.01 0.00 0.00 64.21 61.37 1s5i n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1s5i s VAL 82 N -3.73 2.98 0.47 0.44 -7.23 -1.02 -4.64 120.40 107.68 1s5i s VAL 82 Ca 0.32 0.85 0.04 0.00 -1.81 0.00 0.00 61.98 61.38 1s5i s VAL 82 Cb -0.15 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1s5i s VAL 82 CO 0.93 0.10 0.01 0.42 -0.31 0.00 0.00 175.10 176.25 1s5i s THR 83 N -1.34 1.52 -0.58 5.32 -4.23 -1.26 0.97 115.64 116.03 1s5i s THR 83 Ca 0.56 -1.99 0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1s5i s THR 83 Cb -0.33 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.15 1s5i s THR 83 CO 0.42 0.00 1.48 0.35 -0.54 0.00 0.00 174.62 176.34 1s5i n THR 84 N -1.15 1.22 2.00 3.99 -2.24 -1.26 -0.97 114.28 115.87 1s5i n THR 84 Ca -0.13 0.48 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 1s5i n THR 84 Cb 0.67 -1.43 0.83 0.00 -2.10 0.00 0.00 70.33 68.31 1s5i n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5i n GLU 85 N -1.95 1.00 -0.10 -0.78 1.02 -1.26 -3.02 120.64 115.55 1s5i n GLU 85 Ca 0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1s5i n GLU 85 Cb 0.09 -1.44 0.16 0.00 -0.02 0.00 0.00 31.44 30.23 1s5i n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s5i n ASP 86 N -0.94 3.22 -4.70 1.62 8.00 -0.14 -4.92 116.55 118.70 1s5i n ASP 86 Ca 0.21 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 1s5i n ASP 86 Cb 0.10 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1s5i n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s5i s THR 87 N -1.71 3.20 -0.06 -3.53 2.01 -1.17 -4.85 115.64 109.52 1s5i s THR 87 Ca 0.33 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 62.74 1s5i s THR 87 Cb 0.21 -3.46 0.12 0.00 0.01 0.00 0.00 72.50 69.38 1s5i s THR 87 CO 0.30 0.02 1.36 0.00 -0.69 0.00 0.00 174.62 175.61 1s5i s ALA 88 N 2.08 -2.50 -0.19 7.40 0.00 -0.36 -4.59 121.76 123.60 1s5i s ALA 88 Ca 0.69 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 1s5i s ALA 88 Cb -0.38 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1s5i s ALA 88 CO 0.30 -1.10 0.34 0.99 0.00 0.00 0.00 175.76 176.29 1s5i s THR 89 N -2.11 5.25 -0.17 0.00 2.01 -0.46 -0.76 115.64 119.40 1s5i s THR 89 Ca 0.21 0.61 -0.07 0.00 0.31 0.00 0.00 61.69 62.75 1s5i s THR 89 Cb 0.04 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1s5i s THR 89 CO -0.04 0.31 0.06 -0.31 -0.69 0.00 0.00 174.62 173.94 1s5i s TYR 90 N 0.99 3.25 0.15 4.92 1.51 0.75 -0.94 117.35 127.98 1s5i s TYR 90 Ca 0.17 0.09 0.11 0.00 -1.01 0.00 0.00 57.07 56.43 1s5i s TYR 90 Cb -0.14 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1s5i s TYR 90 CO 0.06 0.20 -0.26 0.71 -1.11 0.00 0.00 175.55 175.16 1s5i s TYR 91 N 0.21 2.27 -0.06 2.71 2.02 0.42 -0.92 117.35 124.01 1s5i s TYR 91 Ca 0.04 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 1s5i s TYR 91 Cb -0.12 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1s5i s TYR 91 CO 0.00 0.38 -0.22 0.00 -1.57 0.00 0.00 175.55 174.14 1s5i s ALA 93 N -0.30 -0.09 -0.02 0.00 0.00 0.66 -0.99 121.76 121.03 1s5i s ALA 93 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1s5i s ALA 93 Cb -0.13 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1s5i s ALA 93 CO 0.02 -0.36 -0.03 0.45 0.00 0.00 0.00 175.76 175.84 1s5i s SER 94 N -2.32 0.58 0.09 0.00 0.15 -0.11 0.81 113.70 112.89 1s5i s SER 94 Ca -0.02 -0.08 -0.27 0.00 0.70 0.00 0.00 55.95 56.29 1s5i s SER 94 Cb 0.01 -0.18 0.08 0.00 -1.71 0.00 0.00 66.02 64.22 1s5i s SER 94 CO -0.06 -0.01 0.94 -0.72 1.20 0.00 0.00 173.24 174.59 1s5i s TYR 95 N 0.41 -0.21 -0.09 3.44 -0.85 -1.25 -0.77 117.35 118.03 1s5i s TYR 95 Ca -0.04 -0.02 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 1s5i s TYR 95 Cb -0.08 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.88 1s5i s TYR 95 CO -0.01 -0.70 -0.08 0.34 -1.52 0.00 0.00 175.55 173.58 1s5i s ASP 96 N -2.76 1.84 0.00 -0.18 3.68 -0.76 -4.50 116.67 113.98 1s5i s ASP 96 Ca 0.09 -0.26 0.12 0.00 2.13 0.00 0.00 52.55 54.64 1s5i s ASP 96 Cb -0.01 -0.75 0.74 0.00 -1.45 0.00 0.00 42.92 41.45 1s5i s ASP 96 CO -0.02 -0.07 1.17 0.47 0.13 0.00 0.00 175.17 176.84 1s5i n ASP 97 N 4.48 0.00 -0.02 -0.34 8.00 -1.26 -3.52 116.55 123.89 1s5i n ASP 97 Ca -0.17 -0.47 -0.06 0.00 0.71 0.00 0.00 54.79 54.79 1s5i n ASP 97 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1s5i n ASP 97 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s5i n TYR 98 N -0.95 0.00 -0.64 1.24 9.36 -1.26 -5.06 117.16 119.84 1s5i n TYR 98 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1s5i n TYR 98 Cb 0.04 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 1s5i n TYR 98 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1s5i n THR 99 N -3.61 0.00 0.34 2.97 5.66 -1.23 -4.95 114.28 113.46 1s5i n THR 99 Ca -0.11 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.01 1s5i n THR 99 Cb 0.39 -1.41 0.21 0.00 -1.55 0.00 0.00 70.33 67.98 1s5i n THR 99 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1s5i n TRP 100 N -2.13 0.48 -2.51 1.09 4.27 -1.26 -4.79 117.44 112.60 1s5i n TRP 100 Ca 0.00 -0.24 -0.43 0.00 -3.89 0.00 0.00 57.50 52.94 1s5i n TRP 100 Cb 0.00 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.93 1s5i n TRP 100 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1s5i s PHE 100 N -1.52 3.00 -0.25 -2.67 2.19 -1.26 -4.99 117.98 112.48 1s5i s PHE 100 Ca 0.39 1.14 -0.10 0.00 0.33 0.00 0.00 56.93 58.69 1s5i s PHE 100 Cb 0.23 -3.49 0.10 0.00 -1.31 0.00 0.00 43.02 38.55 1s5i s PHE 100 CO 0.32 -1.27 0.56 -0.08 1.83 0.00 0.00 175.22 176.58 1s5i s THR 101 N 3.52 -0.56 -0.10 0.12 -1.32 -1.26 -1.83 115.64 114.20 1s5i s THR 101 Ca 0.51 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.98 1s5i s THR 101 Cb -0.18 -0.85 0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1s5i s THR 101 CO 0.13 0.03 0.25 -0.31 -2.21 0.00 0.00 174.62 172.51 1s5i s TYR 102 N 2.35 -0.31 0.10 9.09 2.02 0.05 -5.01 117.35 125.65 1s5i s TYR 102 Ca -0.06 0.75 0.10 0.00 -0.37 0.00 0.00 57.07 57.48 1s5i s TYR 102 Cb -0.10 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 1s5i s TYR 102 CO -0.17 -0.19 -0.24 -1.58 -1.57 0.00 0.00 175.55 171.80 1s5i s TRP 103 N 0.74 2.09 0.00 2.71 0.52 -1.26 -0.93 118.94 122.81 1s5i s TRP 103 Ca -0.05 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.67 1s5i s TRP 103 Cb -0.06 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.10 1s5i s TRP 103 CO -0.05 0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.59 1s5i n GLY 104 N 1.14 -1.24 0.11 0.98 0.00 -0.16 -4.65 105.19 101.37 1s5i n GLY 104 Ca -0.18 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1s5i n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5i n GLN 105 N -0.97 0.61 0.00 1.61 10.64 -1.26 -4.89 117.38 123.12 1s5i n GLN 105 Ca 0.00 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1s5i n GLN 105 Cb 0.00 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 27.57 1s5i n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s5i n GLY 106 N 1.20 -0.12 2.85 2.61 0.00 -1.26 -5.03 105.19 105.45 1s5i n GLY 106 Ca -0.01 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.29 1s5i n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s5i s THR 107 N -2.95 0.20 0.09 2.61 -1.32 -0.09 -4.89 115.64 109.28 1s5i s THR 107 Ca 0.00 0.01 -0.28 0.00 -1.21 0.00 0.00 61.69 60.21 1s5i s THR 107 Cb 0.00 -0.25 -0.06 0.00 -1.51 0.00 0.00 72.50 70.68 1s5i s THR 107 CO 0.00 0.12 0.89 -0.22 -2.21 0.00 0.00 174.62 173.20 1s5i s LEU 108 N 0.65 4.48 -0.14 9.08 2.96 -1.26 -0.18 118.68 134.28 1s5i s LEU 108 Ca -0.07 1.67 -0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1s5i s LEU 108 Cb -0.10 -3.46 0.03 0.00 0.50 0.00 0.00 46.19 43.16 1s5i s LEU 108 CO -0.01 -0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.20 1s5i s VAL 109 N -0.02 1.25 -0.16 1.68 1.01 0.06 -4.51 120.40 119.70 1s5i s VAL 109 Ca 0.44 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1s5i s VAL 109 Cb -0.22 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1s5i s VAL 109 CO 0.27 0.36 -0.04 -0.89 0.00 0.00 0.00 175.10 174.80 1s5i s THR 110 N 1.61 3.82 -0.26 3.92 2.01 0.14 -1.23 115.64 125.65 1s5i s THR 110 Ca 0.04 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1s5i s THR 110 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1s5i s THR 110 CO -0.09 0.48 0.12 -0.69 -0.69 0.00 0.00 174.62 173.75 1s5i s VAL 111 N 0.51 4.70 -0.15 3.82 1.01 -1.26 -1.25 120.40 127.79 1s5i s VAL 111 Ca -0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1s5i s VAL 111 Cb -0.14 -3.22 0.13 0.00 0.00 0.00 0.00 36.38 33.15 1s5i s VAL 111 CO 0.03 0.30 1.09 -0.55 0.00 0.00 0.00 175.10 175.96 1s5i s SER 112 N 1.67 -0.25 0.14 3.32 0.15 0.28 -4.60 113.70 114.41 1s5i s SER 112 Ca 0.07 0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.93 1s5i s SER 112 Cb -0.15 0.23 -0.14 0.00 -1.71 0.00 0.00 66.02 64.25 1s5i s SER 112 CO 0.07 -0.34 1.22 0.00 1.20 0.00 0.00 173.24 175.39 1s5i h ALA 113 N 2.16 0.50 -2.29 5.45 0.00 -1.97 -3.38 119.26 119.73 1s5i h ALA 113 Ca -0.15 -0.86 -0.58 0.00 0.00 0.00 0.00 54.91 53.33 1s5i h ALA 113 Cb 1.19 -0.04 0.19 0.00 0.00 0.00 0.00 17.79 19.12 1s5i h ALA 113 CO 0.27 1.12 -0.76 0.00 0.00 0.00 0.00 179.25 179.88 1s5i n ALA 114 N -2.35 -2.26 -2.81 0.00 0.00 -1.26 -4.96 120.51 106.87 1s5i n ALA 114 Ca -0.02 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 1s5i n ALA 114 Cb 0.90 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 1s5i n ALA 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1s5i s LYS 115 N -2.03 3.17 0.19 0.00 -2.85 -1.26 -5.05 119.74 111.91 1s5i s LYS 115 Ca 0.61 -0.43 -0.33 0.00 -1.00 0.00 0.00 55.97 54.83 1s5i s LYS 115 Cb -0.40 -2.93 -0.15 0.00 -2.06 0.00 0.00 37.83 32.30 1s5i s LYS 115 CO 0.62 0.66 1.34 2.41 0.10 0.00 0.00 175.35 180.48 1s5i n THR 116 N 1.21 0.73 -3.70 3.79 -1.04 -1.26 -4.81 114.28 109.20 1s5i n THR 116 Ca -0.13 -0.18 -0.18 0.00 -2.04 0.00 0.00 64.05 61.52 1s5i n THR 116 Cb 0.53 -1.21 -0.17 0.00 -1.82 0.00 0.00 70.33 67.66 1s5i n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1s5i s THR 117 N 0.06 -0.11 0.64 12.58 2.01 0.11 -4.95 115.64 125.99 1s5i s THR 117 Ca 0.73 0.36 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 1s5i s THR 117 Cb -0.75 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1s5i s THR 117 CO 0.49 0.15 1.22 -2.16 -0.69 0.00 0.00 174.62 173.62 1s5i s PRO 118 N 1.85 2.68 0.63 4.92 0.04 -1.26 -1.38 135.00 142.48 1s5i s PRO 118 Ca 0.01 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 1s5i s PRO 118 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1s5i s PRO 118 CO -0.03 -1.44 0.99 -1.25 0.04 0.00 0.00 177.00 175.31 1s5i s PRO 119 N -3.53 3.03 -0.11 0.56 0.04 -1.26 -4.33 135.00 129.40 1s5i s PRO 119 Ca 0.77 0.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 1s5i s PRO 119 Cb -0.31 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1s5i s PRO 119 CO 0.38 -0.78 -0.04 -1.12 0.04 0.00 0.00 177.00 175.47 1s5i s SER 120 N -4.30 4.80 -0.09 6.66 0.01 -0.25 -4.94 113.70 115.60 1s5i s SER 120 Ca 0.55 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.82 1s5i s SER 120 Cb -0.11 -1.47 -0.00 0.00 0.21 0.00 0.00 66.02 64.65 1s5i s SER 120 CO 0.49 0.29 -0.23 -0.69 0.41 0.00 0.00 173.24 173.51 1s5i s VAL 121 N -0.35 1.95 -0.04 3.43 1.01 -1.26 -1.33 120.40 123.81 1s5i s VAL 121 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1s5i s VAL 121 Cb -0.12 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1s5i s VAL 121 CO 0.02 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.23 1s5i s TYR 122 N 0.26 1.28 0.15 5.22 2.02 -0.45 -4.97 117.35 120.86 1s5i s TYR 122 Ca -0.15 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 55.87 1s5i s TYR 122 Cb -0.17 -0.91 -0.07 0.00 -0.40 0.00 0.00 41.96 40.41 1s5i s TYR 122 CO 0.07 -0.17 1.01 -1.25 -1.57 0.00 0.00 175.55 173.64 1s5i s PRO 123 N 0.34 4.68 -0.44 -1.71 0.04 -1.26 -0.59 135.00 136.05 1s5i s PRO 123 Ca -0.07 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.45 1s5i s PRO 123 Cb -0.12 -3.33 0.11 0.00 0.04 0.00 0.00 34.50 31.20 1s5i s PRO 123 CO 0.02 0.20 0.29 -0.51 0.04 0.00 0.00 177.00 177.03 1s5i s LEU 124 N -0.29 5.43 0.19 -3.56 1.43 0.80 -4.93 118.68 117.75 1s5i s LEU 124 Ca 0.47 -1.84 0.05 0.00 -1.03 0.00 0.00 54.13 51.78 1s5i s LEU 124 Cb -0.26 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1s5i s LEU 124 CO 0.32 -0.61 0.24 0.00 0.23 0.00 0.00 176.35 176.52 1s5i s ALA 125 N 1.32 3.77 1.22 4.21 0.00 -1.26 -2.08 121.76 128.94 1s5i s ALA 125 Ca 0.05 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1s5i s ALA 125 Cb -0.25 -1.56 0.31 0.00 0.00 0.00 0.00 23.12 21.62 1s5i s ALA 125 CO -0.01 0.42 0.99 -2.30 0.00 0.00 0.00 175.76 174.86 1s5i n PRO 126 N -0.76 -2.77 -0.03 0.00 -0.02 -1.26 -4.95 135.00 125.21 1s5i n PRO 126 Ca -0.08 -0.78 0.05 0.00 -2.02 0.00 0.00 63.50 60.67 1s5i n PRO 126 Cb 0.55 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.74 1s5i n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5i n GLY 127 N 1.13 -0.94 0.00 -1.23 0.00 -1.26 -4.68 105.19 98.21 1s5i n GLY 127 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1s5i n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s5i n SER 128 N -2.35 0.00 0.37 1.61 3.41 -1.26 -4.99 113.62 110.42 1s5i n SER 128 Ca -0.11 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.32 1s5i n SER 128 Cb 0.69 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1s5i n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s5i h ALA 129 N 0.00 -0.92 -0.87 7.33 0.00 -1.97 -3.39 119.26 119.44 1s5i h ALA 129 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 54.91 54.29 1s5i h ALA 129 Cb 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1s5i h ALA 129 CO 0.00 -1.00 1.53 0.00 0.00 0.00 0.00 179.25 179.78 1s5i n ALA 130 N -2.51 0.60 0.13 0.00 0.00 -1.26 -4.41 120.51 113.06 1s5i n ALA 130 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1s5i n ALA 130 Cb 0.38 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.95 1s5i n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5i n GLN 133 N 8.61 0.00 0.00 0.00 10.64 -1.26 -5.10 117.38 130.26 1s5i n GLN 133 Ca 0.49 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.66 1s5i n GLN 133 Cb 0.35 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.71 1s5i n GLN 133 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1s5i n THR 134 N -3.38 0.00 -0.58 -0.39 -2.24 -1.26 -5.06 114.28 101.37 1s5i n THR 134 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1s5i n THR 134 Cb 0.00 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 1s5i n THR 134 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1s5i n ASN 135 N -0.41 -0.95 0.00 3.42 6.94 -1.26 -4.77 115.26 118.23 1s5i n ASN 135 Ca 0.00 0.41 0.07 0.00 -0.02 0.00 0.00 54.58 55.04 1s5i n ASN 135 Cb 0.00 -0.40 0.38 0.00 -2.36 0.00 0.00 39.78 37.41 1s5i n ASN 135 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1s5i n SER 136 N 0.95 0.00 -4.65 0.53 3.41 -1.26 -4.75 113.62 107.86 1s5i n SER 136 Ca 0.06 0.07 -0.28 0.00 -0.26 0.00 0.00 58.87 58.47 1s5i n SER 136 Cb 0.15 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1s5i n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1s5i s MET 137 N -2.58 2.35 -0.04 4.33 -1.94 -1.26 0.20 119.30 120.37 1s5i s MET 137 Ca 0.14 -1.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 1s5i s MET 137 Cb 0.10 -2.36 0.02 0.00 2.01 0.00 0.00 34.83 34.60 1s5i s MET 137 CO 0.23 0.48 -0.05 0.08 -0.01 0.00 0.00 175.02 175.75 1s5i s VAL 138 N -1.57 0.55 -0.14 -6.03 1.01 0.25 -4.70 120.40 109.76 1s5i s VAL 138 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1s5i s VAL 138 Cb -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1s5i s VAL 138 CO 0.17 0.22 0.02 -0.89 0.00 0.00 0.00 175.10 174.62 1s5i s THR 139 N 0.75 4.43 0.49 3.92 2.01 -1.26 -0.50 115.64 125.47 1s5i s THR 139 Ca -0.10 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1s5i s THR 139 Cb -0.13 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1s5i s THR 139 CO 0.00 0.52 0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 1s5i s LEU 140 N -0.05 2.21 0.17 4.42 1.43 0.65 -4.68 118.68 122.84 1s5i s LEU 140 Ca 0.04 -1.67 -0.24 0.00 -1.03 0.00 0.00 54.13 51.23 1s5i s LEU 140 Cb -0.13 -0.58 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1s5i s LEU 140 CO 0.02 -0.88 0.96 -0.83 0.23 0.00 0.00 176.35 175.84 1s5i s GLY 141 N -3.82 -0.16 -0.01 -3.19 0.00 -0.88 -1.81 107.32 97.45 1s5i s GLY 141 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1s5i s GLY 141 CO 0.05 0.31 0.02 0.00 0.00 0.00 0.00 173.10 173.48 1s5i s LEU 143 N 0.62 3.15 -0.40 0.00 2.96 0.24 -1.76 118.68 123.49 1s5i s LEU 143 Ca -0.05 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1s5i s LEU 143 Cb -0.08 -1.82 0.10 0.00 0.50 0.00 0.00 46.19 44.89 1s5i s LEU 143 CO -0.02 -0.02 0.19 -0.69 -1.32 0.00 0.00 176.35 174.50 1s5i s VAL 144 N 1.47 3.44 0.07 1.68 1.01 0.45 -1.35 120.40 127.17 1s5i s VAL 144 Ca 0.05 -1.85 0.03 0.00 0.00 0.00 0.00 61.98 60.22 1s5i s VAL 144 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1s5i s VAL 144 CO 0.00 -0.59 -0.10 -1.59 0.00 0.00 0.00 175.10 172.83 1s5i s LYS 145 N 1.21 0.71 0.00 2.72 -2.85 -0.44 0.05 119.74 121.14 1s5i s LYS 145 Ca 0.05 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 1s5i s LYS 145 Cb -0.23 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 1s5i s LYS 145 CO -0.03 0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.92 1s5i n GLY 146 N 1.05 0.65 3.93 0.59 0.00 -0.18 -1.09 105.19 110.15 1s5i n GLY 146 Ca -0.20 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1s5i n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s5i s TYR 147 N -2.00 2.95 -0.29 1.61 1.13 -1.11 -4.55 117.35 115.09 1s5i s TYR 147 Ca 0.00 -0.31 -0.21 0.00 -1.41 0.00 0.00 57.07 55.14 1s5i s TYR 147 Cb 0.00 -2.01 0.16 0.00 -1.10 0.00 0.00 41.96 39.01 1s5i s TYR 147 CO 0.00 -0.02 1.15 0.12 -2.51 0.00 0.00 175.55 174.29 1s5i s PHE 148 N -2.28 -0.34 0.00 -3.49 5.36 -0.48 -0.65 117.98 116.10 1s5i s PHE 148 Ca 0.45 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1s5i s PHE 148 Cb -0.07 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 1s5i s PHE 148 CO 0.29 -0.17 0.00 -0.35 -1.46 0.00 0.00 175.22 173.54 1s5i n PRO 149 N 2.66 1.61 -2.16 10.12 -0.04 -1.26 0.09 135.00 146.03 1s5i n PRO 149 Ca -0.15 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1s5i n PRO 149 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1s5i n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s5i s GLU 150 N -0.31 3.42 0.23 0.54 0.41 -1.26 -4.77 118.70 116.96 1s5i s GLU 150 Ca 0.00 1.25 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 1s5i s GLU 150 Cb 0.00 -2.04 -0.00 0.00 -1.78 0.00 0.00 34.13 30.31 1s5i s GLU 150 CO 0.00 -0.74 0.00 -0.35 -0.49 0.00 0.00 175.26 173.69 1s5i n PRO 151 N -1.79 1.42 -4.26 0.39 -0.04 -1.26 -4.97 135.00 124.49 1s5i n PRO 151 Ca 0.09 -1.70 -0.20 0.00 -0.04 0.00 0.00 63.50 61.65 1s5i n PRO 151 Cb 0.53 0.47 -0.11 0.00 -0.04 0.00 0.00 33.50 34.34 1s5i n PRO 151 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1s5i s VAL 152 N -1.85 1.48 -0.17 0.52 -7.23 -1.26 -4.28 120.40 107.60 1s5i s VAL 152 Ca 0.00 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1s5i s VAL 152 Cb 0.00 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 1s5i s VAL 152 CO 0.00 -0.32 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.45 1s5i s THR 153 N -1.89 2.82 -0.08 5.32 2.01 0.02 -4.95 115.64 118.89 1s5i s THR 153 Ca 0.09 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1s5i s THR 153 Cb -0.06 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1s5i s THR 153 CO 0.04 0.50 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.65 1s5i s VAL 154 N 0.99 3.21 0.20 3.82 1.01 -1.26 -1.48 120.40 126.90 1s5i s VAL 154 Ca -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1s5i s VAL 154 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1s5i s VAL 154 CO -0.02 0.57 0.12 0.42 0.00 0.00 0.00 175.10 176.19 1s5i s THR 156 N -0.46 0.09 -0.09 3.92 -4.23 -0.52 -4.98 115.64 109.37 1s5i s THR 156 Ca 0.06 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1s5i s THR 156 Cb -0.12 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1s5i s THR 156 CO 0.02 -0.04 -0.10 0.26 -0.54 0.00 0.00 174.62 174.22 1s5i s TRP 157 N -4.09 1.49 -1.49 3.99 0.52 -1.26 -0.55 118.94 117.55 1s5i s TRP 157 Ca 0.38 -0.67 -0.12 0.00 0.02 0.00 0.00 56.10 55.71 1s5i s TRP 157 Cb 0.07 -1.17 0.07 0.00 -1.15 0.00 0.00 33.47 31.29 1s5i s TRP 157 CO 0.11 -0.41 1.02 0.09 0.02 0.00 0.00 176.95 177.78 1s5i n ASN 162 N 4.43 -4.99 -1.92 2.95 3.02 0.28 -1.77 115.26 117.27 1s5i n ASN 162 Ca -0.17 -0.73 -0.21 0.00 -0.03 0.00 0.00 54.58 53.43 1s5i n ASN 162 Cb 0.51 -4.13 -0.06 0.00 -0.61 0.00 0.00 39.78 35.48 1s5i n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1s5i n SER 163 N -2.88 -5.69 0.00 6.41 7.64 -1.26 -0.96 113.62 116.87 1s5i n SER 163 Ca 0.02 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1s5i n SER 163 Cb 0.54 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 1s5i n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5i n GLY 164 N -0.64 2.77 0.47 0.23 0.00 -0.73 -4.90 105.19 102.40 1s5i n GLY 164 Ca -0.23 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.10 1s5i n GLY 164 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1s5i h SER 165 N 0.24 0.26 -3.18 1.61 0.87 -1.05 -3.36 113.55 108.94 1s5i h SER 165 Ca 0.00 0.07 -0.67 0.00 -1.23 0.00 0.00 61.79 59.96 1s5i h SER 165 Cb 0.00 0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 61.66 1s5i h SER 165 CO 0.00 0.00 -0.85 -0.22 -0.53 0.00 0.00 176.83 175.23 1s5i s LEU 166 N -9.18 2.21 0.00 2.23 2.96 -0.90 -4.90 118.68 111.09 1s5i s LEU 166 Ca -0.07 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1s5i s LEU 166 Cb 0.26 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.46 1s5i s LEU 166 CO 0.81 0.06 0.00 -1.54 -1.32 0.00 0.00 176.35 174.35 1s5i n SER 167 N 4.24 0.00 -0.25 3.68 3.41 -1.26 -4.11 113.62 119.34 1s5i n SER 167 Ca -0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.36 1s5i n SER 167 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1s5i n SER 167 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s5i n SER 168 N -0.02 -0.57 -3.04 4.04 7.64 -1.26 -2.53 113.62 117.89 1s5i n SER 168 Ca 0.00 1.06 -0.24 0.00 1.01 0.00 0.00 58.87 60.70 1s5i n SER 168 Cb 0.00 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 1s5i n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s5i n GLY 169 N -1.19 4.93 3.55 0.23 0.00 -1.26 -5.07 105.19 106.38 1s5i n GLY 169 Ca 0.03 -2.44 -0.34 0.00 0.00 0.00 0.00 46.02 43.27 1s5i n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5i s VAL 171 N -3.71 3.81 -0.21 1.61 1.01 -1.05 -2.26 120.40 119.60 1s5i s VAL 171 Ca 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1s5i s VAL 171 Cb 0.29 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1s5i s VAL 171 CO -0.12 0.56 -0.05 -1.00 0.00 0.00 0.00 175.10 174.49 1s5i s HIS 172 N -0.32 2.12 -0.31 5.22 3.76 -0.47 -5.02 115.29 120.26 1s5i s HIS 172 Ca 0.05 -1.49 -0.09 0.00 -0.15 0.00 0.00 55.06 53.38 1s5i s HIS 172 Cb -0.12 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1s5i s HIS 172 CO 0.02 -0.72 0.14 0.99 -0.85 0.00 0.00 174.74 174.32 1s5i s THR 173 N 1.49 4.42 0.27 1.30 2.01 -1.26 -1.00 115.64 122.87 1s5i s THR 173 Ca -0.03 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1s5i s THR 173 Cb -0.17 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1s5i s THR 173 CO -0.07 0.03 1.01 -0.36 -0.69 0.00 0.00 174.62 174.55 1s5i s PHE 174 N 1.57 3.77 0.27 4.92 0.08 0.36 -5.00 117.98 123.96 1s5i s PHE 174 Ca 0.04 1.81 -0.30 0.00 0.12 0.00 0.00 56.93 58.59 1s5i s PHE 174 Cb -0.17 -3.12 -0.12 0.00 -0.57 0.00 0.00 43.02 39.04 1s5i s PHE 174 CO 0.05 -0.03 1.56 -2.30 -0.10 0.00 0.00 175.22 174.40 1s5i n PRO 175 N 1.26 2.54 -1.86 0.24 -0.02 -1.26 -4.04 135.00 131.86 1s5i n PRO 175 Ca -0.01 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 1s5i n PRO 175 Cb 0.46 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1s5i n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s5i s ALA 176 N 0.07 3.09 -0.06 3.55 0.00 -1.26 -4.83 121.76 122.31 1s5i s ALA 176 Ca 0.66 1.36 0.04 0.00 0.00 0.00 0.00 51.96 54.01 1s5i s ALA 176 Cb -0.54 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.01 1s5i s ALA 176 CO 0.48 -1.17 -0.17 0.08 0.00 0.00 0.00 175.76 174.98 1s5i s VAL 177 N -1.26 2.79 -0.34 0.00 1.01 0.20 -4.92 120.40 117.89 1s5i s VAL 177 Ca 0.64 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1s5i s VAL 177 Cb -0.41 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1s5i s VAL 177 CO 0.51 0.57 0.55 -0.22 0.00 0.00 0.00 175.10 176.52 1s5i s LEU 178 N -0.41 4.27 -0.40 3.92 2.96 -1.26 -1.25 118.68 126.51 1s5i s LEU 178 Ca 0.04 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1s5i s LEU 178 Cb -0.12 -2.66 0.15 0.00 0.50 0.00 0.00 46.19 44.05 1s5i s LEU 178 CO 0.02 -0.48 0.25 -1.58 -1.32 0.00 0.00 176.35 173.24 1s5i s GLN 179 N 2.48 0.89 0.00 1.98 -0.44 0.20 -4.88 119.66 119.90 1s5i s GLN 179 Ca 0.21 -1.74 0.00 0.00 -2.50 0.00 0.00 55.36 51.33 1s5i s GLN 179 Cb -0.15 -1.69 0.00 0.00 -1.64 0.00 0.00 33.01 29.53 1s5i s GLN 179 CO 0.13 -1.23 0.00 0.45 0.50 0.00 0.00 175.29 175.14 1s5i n SER 180 N 3.60 -1.09 -1.54 6.67 2.88 -1.26 -4.18 113.62 118.70 1s5i n SER 180 Ca 0.15 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1s5i n SER 180 Cb 0.38 -0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 63.49 1s5i n SER 180 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1s5i n ASP 183 N -0.56 -5.41 -3.87 -3.46 4.64 -1.26 -4.94 116.55 101.68 1s5i n ASP 183 Ca 0.00 0.49 -0.11 0.00 -1.38 0.00 0.00 54.79 53.79 1s5i n ASP 183 Cb 0.27 -4.73 -0.10 0.00 -1.04 0.00 0.00 41.12 35.52 1s5i n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1s5i s LEU 184 N -4.55 1.55 0.04 -2.67 1.43 -1.26 -4.89 118.68 108.33 1s5i s LEU 184 Ca 0.00 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1s5i s LEU 184 Cb 0.00 0.65 -0.04 0.00 0.03 0.00 0.00 46.19 46.83 1s5i s LEU 184 CO 0.00 -0.34 0.19 -0.31 0.23 0.00 0.00 176.35 176.12 1s5i s TYR 185 N -1.24 3.49 -0.03 0.29 2.02 0.18 -0.63 117.35 121.43 1s5i s TYR 185 Ca -0.13 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 1s5i s TYR 185 Cb -0.07 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 1s5i s TYR 185 CO 0.01 0.60 -0.07 0.99 -1.57 0.00 0.00 175.55 175.51 1s5i s THR 186 N -1.44 0.69 0.05 -0.71 2.01 -0.38 -1.01 115.64 114.85 1s5i s THR 186 Ca 0.32 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1s5i s THR 186 Cb -0.13 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1s5i s THR 186 CO 0.25 0.23 0.07 -0.22 -0.69 0.00 0.00 174.62 174.25 1s5i s LEU 187 N 0.38 1.96 0.05 4.42 0.20 0.11 -0.62 118.68 125.17 1s5i s LEU 187 Ca -0.06 -0.67 -0.01 0.00 0.69 0.00 0.00 54.13 54.08 1s5i s LEU 187 Cb -0.10 0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 46.14 1s5i s LEU 187 CO 0.01 -0.55 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.55 1s5i s SER 188 N -2.39 0.45 -0.08 3.68 1.04 -1.26 -0.42 113.70 114.73 1s5i s SER 188 Ca -0.01 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 1s5i s SER 188 Cb 0.01 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1s5i s SER 188 CO -0.07 -0.57 0.17 -0.55 0.98 0.00 0.00 173.24 173.20 1s5i s SER 189 N -2.75 0.01 0.09 7.02 0.15 -0.72 -0.49 113.70 117.01 1s5i s SER 189 Ca 0.04 0.35 0.06 0.00 0.70 0.00 0.00 55.95 57.11 1s5i s SER 189 Cb 0.06 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1s5i s SER 189 CO -0.09 -0.17 -0.08 -0.94 1.20 0.00 0.00 173.24 173.16 1s5i s SER 190 N 1.40 4.51 -0.03 5.45 1.04 -0.17 -1.33 113.70 124.56 1s5i s SER 190 Ca -0.07 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1s5i s SER 190 Cb -0.11 -0.91 0.03 0.00 0.10 0.00 0.00 66.02 65.12 1s5i s SER 190 CO -0.06 0.18 0.00 0.54 0.98 0.00 0.00 173.24 174.88 1s5i s VAL 191 N -1.21 0.18 -0.19 5.02 0.11 -0.75 -1.36 120.40 122.19 1s5i s VAL 191 Ca 0.22 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1s5i s VAL 191 Cb -0.11 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1s5i s VAL 191 CO 0.14 0.15 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.13 1s5i s THR 192 N 1.09 3.57 0.17 5.04 2.01 -0.96 -0.25 115.64 126.31 1s5i s THR 192 Ca -0.09 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.54 1s5i s THR 192 Cb -0.13 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1s5i s THR 192 CO -0.02 0.45 -0.15 0.68 -0.69 0.00 0.00 174.62 174.90 1s5i s VAL 193 N 1.00 1.59 0.86 3.82 -7.23 0.35 -4.55 120.40 116.24 1s5i s VAL 193 Ca 0.00 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 1s5i s VAL 193 Cb -0.15 -1.85 0.11 0.00 0.56 0.00 0.00 36.38 35.05 1s5i s VAL 193 CO 0.01 -0.51 1.12 -2.16 -0.31 0.00 0.00 175.10 173.25 1s5i s PRO 194 N -3.24 1.48 0.00 4.82 0.04 -1.26 0.84 135.00 137.68 1s5i s PRO 194 Ca 0.17 1.37 0.10 0.00 0.04 0.00 0.00 61.00 62.69 1s5i s PRO 194 Cb -0.02 -1.79 0.62 0.00 0.04 0.00 0.00 34.50 33.34 1s5i s PRO 194 CO 0.05 -2.25 1.05 0.43 0.04 0.00 0.00 177.00 176.32 1s5i n SER 195 N -3.96 0.00 0.06 6.66 7.64 0.54 -2.74 113.62 121.81 1s5i n SER 195 Ca 0.11 -0.38 -0.23 0.00 1.01 0.00 0.00 58.87 59.38 1s5i n SER 195 Cb 0.53 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.58 1s5i n SER 195 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1s5i h SER 196 N 0.00 0.56 0.50 6.43 0.02 -1.88 -3.40 113.55 115.77 1s5i h SER 196 Ca 0.00 -0.92 -0.02 0.00 -0.84 0.00 0.00 61.79 60.00 1s5i h SER 196 Cb 0.00 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1s5i h SER 196 CO 0.00 1.75 -0.24 -0.65 -1.14 0.00 0.00 176.83 176.55 1s5i h PRO 199 N 0.00 -0.64 -5.74 3.45 0.11 -1.84 -3.39 132.00 123.94 1s5i h PRO 199 Ca -0.34 0.04 -0.65 0.00 0.11 0.00 0.00 66.00 65.17 1s5i h PRO 199 Cb 2.01 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 33.20 1s5i h PRO 199 CO 0.15 -0.35 -0.42 1.03 -0.21 0.00 0.00 178.00 178.20 1s5i s ARG 200 N -5.20 3.54 -0.00 1.05 1.81 -1.26 0.30 118.95 119.19 1s5i s ARG 200 Ca -0.15 -0.03 0.13 0.00 -1.72 0.00 0.00 55.73 53.96 1s5i s ARG 200 Cb 0.03 -3.18 0.38 0.00 -0.45 0.00 0.00 34.95 31.72 1s5i s ARG 200 CO 0.55 0.75 1.31 -0.35 -0.68 0.00 0.00 175.30 176.88 1s5i n PRO 202 N 1.83 1.99 0.00 3.54 -0.04 -1.26 -4.78 135.00 136.28 1s5i n PRO 202 Ca -0.18 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1s5i n PRO 202 Cb 0.54 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1s5i n PRO 202 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s5i n SER 203 N 0.74 0.00 -4.72 3.54 7.64 -0.58 -4.57 113.62 115.68 1s5i n SER 203 Ca 0.14 0.92 -0.35 0.00 1.01 0.00 0.00 58.87 60.59 1s5i n SER 203 Cb 0.36 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.06 1s5i n SER 203 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1s5i s GLU 204 N -2.66 4.05 0.22 1.43 8.01 0.88 -5.06 118.70 125.56 1s5i s GLU 204 Ca 0.00 -0.25 -0.29 0.00 0.01 0.00 0.00 54.97 54.44 1s5i s GLU 204 Cb 0.00 -3.33 -0.16 0.00 -4.31 0.00 0.00 34.13 26.33 1s5i s GLU 204 CO 0.00 0.34 0.79 2.41 0.01 0.00 0.00 175.26 178.81 1s5i n THR 205 N 3.36 1.82 -4.08 3.63 -1.04 -1.26 -4.09 114.28 112.62 1s5i n THR 205 Ca -0.17 -0.46 -0.26 0.00 -2.04 0.00 0.00 64.05 61.13 1s5i n THR 205 Cb 0.52 -0.46 -0.17 0.00 -1.82 0.00 0.00 70.33 68.40 1s5i n THR 205 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1s5i s VAL 206 N -0.91 0.99 0.05 12.58 1.01 -1.26 -5.02 120.40 127.84 1s5i s VAL 206 Ca 0.64 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.39 1s5i s VAL 206 Cb -0.85 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1s5i s VAL 206 CO 0.57 0.35 -0.21 -0.89 0.00 0.00 0.00 175.10 174.92 1s5i s THR 207 N 1.42 1.74 -0.14 3.92 2.01 -1.26 -1.48 115.64 121.83 1s5i s THR 207 Ca -0.01 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1s5i s THR 207 Cb -0.13 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1s5i s THR 207 CO -0.05 0.18 -0.15 0.00 -0.69 0.00 0.00 174.62 173.91 1s5i s ASN 209 N 0.62 5.83 -0.06 0.00 -0.87 0.28 -1.73 114.94 119.01 1s5i s ASN 209 Ca -0.09 0.17 0.03 0.00 -1.57 0.00 0.00 52.86 51.41 1s5i s ASN 209 Cb -0.16 -1.96 0.01 0.00 -0.02 0.00 0.00 41.25 39.12 1s5i s ASN 209 CO 0.03 0.23 -0.13 -0.69 -2.57 0.00 0.00 177.10 173.96 1s5i s VAL 210 N 0.05 1.18 -0.10 1.60 1.01 0.86 -1.44 120.40 123.56 1s5i s VAL 210 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1s5i s VAL 210 Cb -0.12 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1s5i s VAL 210 CO 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.34 1s5i s ALA 211 N 0.46 1.42 -0.51 5.51 0.00 -0.55 -0.87 121.76 127.22 1s5i s ALA 211 Ca -0.11 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1s5i s ALA 211 Cb -0.14 -0.76 0.13 0.00 0.00 0.00 0.00 23.12 22.35 1s5i s ALA 211 CO 0.03 -0.12 0.28 -1.58 0.00 0.00 0.00 175.76 174.37 1s5i s HIS 212 N 1.10 3.41 0.13 0.00 2.46 -0.76 -0.80 115.29 120.82 1s5i s HIS 212 Ca -0.06 -2.89 -0.27 0.00 0.47 0.00 0.00 55.06 52.31 1s5i s HIS 212 Cb -0.14 -3.02 -0.08 0.00 -0.13 0.00 0.00 32.58 29.21 1s5i s HIS 212 CO -0.02 -0.84 1.47 -1.35 -2.47 0.00 0.00 174.74 171.53 1s5i h PRO 213 N 7.07 -0.14 -1.07 2.88 0.11 -1.82 -1.96 132.00 137.06 1s5i h PRO 213 Ca -0.06 0.01 0.37 0.00 0.11 0.00 0.00 66.00 66.43 1s5i h PRO 213 Cb 0.95 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.95 1s5i h PRO 213 CO 0.67 -0.10 0.63 0.00 -0.21 0.00 0.00 178.00 179.00 1s5i h ALA 214 N 0.06 2.20 -0.61 -0.75 0.00 -1.91 0.49 119.26 118.74 1s5i h ALA 214 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s5i h ALA 214 Cb 0.42 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s5i h ALA 214 CO -0.68 -0.85 0.00 -1.13 0.00 0.00 0.00 179.25 176.59 1s5i n SER 215 N -5.00 4.25 -3.93 0.00 3.41 -0.80 -4.95 113.62 106.60 1s5i n SER 215 Ca 0.34 -2.30 -0.27 0.00 -0.26 0.00 0.00 58.87 56.38 1s5i n SER 215 Cb 1.16 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1s5i n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s5i n SER 216 N 1.08 -1.12 -4.60 4.04 7.64 0.17 -4.93 113.62 115.91 1s5i n SER 216 Ca 0.23 -1.03 -0.34 0.00 1.01 0.00 0.00 58.87 58.74 1s5i n SER 216 Cb 0.76 -2.98 -0.11 0.00 -1.01 0.00 0.00 64.21 60.87 1s5i n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s5i s THR 217 N -3.89 3.92 -0.16 0.44 2.01 -0.83 -4.99 115.64 112.14 1s5i s THR 217 Ca 0.09 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 1s5i s THR 217 Cb -0.04 -2.64 0.06 0.00 0.01 0.00 0.00 72.50 69.90 1s5i s THR 217 CO 0.89 0.58 0.10 -0.54 -0.69 0.00 0.00 174.62 174.97 1s5i s LYS 218 N -0.64 0.05 -0.03 4.92 -0.14 -1.26 -1.83 119.74 120.81 1s5i s LYS 218 Ca 0.10 0.01 0.02 0.00 -1.36 0.00 0.00 55.97 54.74 1s5i s LYS 218 Cb -0.12 -1.59 0.01 0.00 -1.68 0.00 0.00 37.83 34.45 1s5i s LYS 218 CO 0.02 -0.62 -0.08 0.54 -0.76 0.00 0.00 175.35 174.45 1s5i s VAL 219 N 2.16 0.70 -0.07 3.17 0.11 -0.05 -5.00 120.40 121.42 1s5i s VAL 219 Ca 0.03 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1s5i s VAL 219 Cb -0.15 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1s5i s VAL 219 CO -0.08 0.23 -0.17 -1.81 -3.33 0.00 0.00 175.10 169.93 1s5i s ASP 220 N 0.28 3.76 -0.07 3.54 1.01 -1.26 -0.10 116.67 123.82 1s5i s ASP 220 Ca -0.04 -0.31 -0.00 0.00 0.71 0.00 0.00 52.55 52.90 1s5i s ASP 220 Cb -0.09 -1.02 0.02 0.00 1.01 0.00 0.00 42.92 42.84 1s5i s ASP 220 CO 0.00 0.27 -0.04 -0.75 0.21 0.00 0.00 175.17 174.87 1s5i s LYS 221 N -0.31 0.96 0.25 8.23 2.47 -0.71 -4.98 119.74 125.65 1s5i s LYS 221 Ca 0.02 -0.07 -0.20 0.00 -1.56 0.00 0.00 55.97 54.16 1s5i s LYS 221 Cb -0.13 -1.11 -0.09 0.00 -1.46 0.00 0.00 37.83 35.05 1s5i s LYS 221 CO 0.02 -0.21 0.76 0.21 0.16 0.00 0.00 175.35 176.30 1s5i s LYS 222 N 1.52 4.27 -0.87 4.03 2.20 -1.26 -1.69 119.74 127.93 1s5i s LYS 222 Ca -0.01 0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 1s5i s LYS 222 Cb -0.13 -2.79 0.19 0.00 -1.51 0.00 0.00 37.83 33.59 1s5i s LYS 222 CO -0.04 0.34 0.90 0.42 -0.36 0.00 0.00 175.35 176.61 1s5i s ILE 223 N -1.61 5.32 -0.03 5.43 -1.09 -0.55 -4.86 121.20 123.81 1s5i s ILE 223 Ca 0.46 -2.20 -0.09 0.00 -2.23 0.00 0.00 60.65 56.59 1s5i s ILE 223 Cb -0.16 -4.58 -0.05 0.00 -1.58 0.00 0.00 42.46 36.09 1s5i s ILE 223 CO 0.21 -1.20 0.27 0.54 -1.23 0.00 0.00 174.94 173.53 1s5i s VAL 226 N 0.98 5.29 0.71 2.92 0.11 -1.26 -4.76 120.40 124.39 1s5i s VAL 226 Ca 0.23 0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 1s5i s VAL 226 Cb -0.08 -3.56 0.03 0.00 -1.53 0.00 0.00 36.38 31.24 1s5i s VAL 226 CO -0.09 0.50 1.12 -2.16 -3.33 0.00 0.00 175.10 171.13 1s5i s PRO 227 N -1.36 2.49 0.10 1.54 0.04 -1.26 -4.83 135.00 131.72 1s5i s PRO 227 Ca 0.23 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1s5i s PRO 227 Cb -0.14 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1s5i s PRO 227 CO 0.12 -1.49 0.64 1.03 0.04 0.00 0.00 177.00 177.33 1s5i s ARG 228 N -4.34 4.33 0.34 4.56 0.52 -1.26 -4.97 118.95 118.13 1s5i s ARG 228 Ca 0.66 0.88 0.18 0.00 -0.52 0.00 0.00 55.73 56.92 1s5i s ARG 228 Cb -0.20 -3.26 0.43 0.00 0.52 0.00 0.00 34.95 32.44 1s5i s ARG 228 CO 0.47 0.59 1.61 0.38 0.02 0.00 0.00 175.30 178.37 1s5i h ASP 229 N 4.57 0.00 0.00 0.23 3.04 -1.98 -3.50 116.42 118.78 1s5i h ASP 229 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1s5i h ASP 229 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1s5i h ASP 229 CO 0.65 0.41 0.00 0.00 -2.04 0.00 0.00 179.24 178.26