#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1k n ALA 5 N 0.00 -2.22 -2.64 3.14 0.00 -1.26 -4.57 120.51 112.97 1i1k n ALA 5 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 53.44 52.18 1i1k n ALA 5 Cb 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 1i1k n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i1k s ASP 6 N -3.15 6.21 0.25 0.00 -0.00 -1.26 -4.56 116.67 114.15 1i1k s ASP 6 Ca 0.19 0.34 0.00 0.00 -0.00 0.00 0.00 52.55 53.08 1i1k s ASP 6 Cb -0.03 -1.89 0.00 0.00 -0.00 0.00 0.00 42.92 41.00 1i1k s ASP 6 CO 0.07 -0.34 0.00 -1.22 -0.00 0.00 0.00 175.17 173.68 1i1k n TYR 7 N -1.78 -2.61 -3.86 4.23 4.01 -1.24 -4.68 117.16 111.23 1i1k n TYR 7 Ca -0.04 1.37 -0.15 0.00 -0.16 0.00 0.00 57.90 58.92 1i1k n TYR 7 Cb 0.57 -2.23 -0.16 0.00 -0.31 0.00 0.00 39.34 37.21 1i1k n TYR 7 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1i1k s ILE 8 N -2.23 0.06 -0.15 -0.72 1.01 0.15 -4.70 121.20 114.62 1i1k s ILE 8 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1i1k s ILE 8 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 1i1k s ILE 8 CO 0.00 0.10 1.30 0.86 0.00 0.00 0.00 174.94 177.19 1i1k s TRP 9 N 0.84 2.78 -0.26 3.97 -0.00 -0.91 -1.16 118.94 124.20 1i1k s TRP 9 Ca -0.08 0.94 -0.01 0.00 -0.00 0.00 0.00 56.10 56.95 1i1k s TRP 9 Cb -0.11 -3.54 0.08 0.00 -0.00 0.00 0.00 33.47 29.90 1i1k s TRP 9 CO -0.02 -1.89 0.05 0.12 -0.00 0.00 0.00 176.95 175.21 1i1k s PHE 10 N 3.51 1.59 -1.53 5.86 5.99 0.39 -1.02 117.98 132.77 1i1k s PHE 10 Ca 0.56 -1.43 -0.13 0.00 0.00 0.00 0.00 56.93 55.93 1i1k s PHE 10 Cb -0.23 -1.45 0.09 0.00 0.00 0.00 0.00 43.02 41.43 1i1k s PHE 10 CO 0.16 -0.76 0.95 0.09 -0.00 0.00 0.00 175.22 175.66 1i1k n ASN 11 N 4.89 -4.48 0.00 6.13 3.02 -0.08 -2.07 115.26 122.67 1i1k n ASN 11 Ca -0.06 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1i1k n ASN 11 Cb 0.44 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.81 1i1k n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1k n GLY 12 N -1.67 0.68 3.20 7.41 0.00 -1.26 -5.06 105.19 108.49 1i1k n GLY 12 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1i1k n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1k s GLU 13 N -0.75 1.37 -0.60 1.61 2.02 -0.88 -5.09 118.70 116.39 1i1k s GLU 13 Ca 0.00 -0.78 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 1i1k s GLU 13 Cb 0.00 -1.40 0.04 0.00 0.10 0.00 0.00 34.13 32.87 1i1k s GLU 13 CO 0.00 0.37 1.09 -1.64 0.02 0.00 0.00 175.26 175.10 1i1k s MET 14 N -0.82 3.35 -0.03 1.61 -1.94 -1.26 -0.46 119.30 119.75 1i1k s MET 14 Ca 0.06 -0.13 -0.02 0.00 -1.71 0.00 0.00 55.69 53.89 1i1k s MET 14 Cb -0.08 -4.08 -0.04 0.00 2.01 0.00 0.00 34.83 32.65 1i1k s MET 14 CO 0.01 -1.70 0.12 0.08 -0.01 0.00 0.00 175.02 173.51 1i1k s VAL 15 N 4.62 5.05 0.37 -6.03 1.01 -0.31 -4.86 120.40 120.24 1i1k s VAL 15 Ca 0.35 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 1i1k s VAL 15 Cb -0.10 -3.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 1i1k s VAL 15 CO 0.20 0.41 1.49 -0.13 0.00 0.00 0.00 175.10 177.06 1i1k s ARG 16 N -1.61 4.12 0.25 2.72 0.52 -1.26 0.34 118.95 124.03 1i1k s ARG 16 Ca 0.22 2.56 -0.10 0.00 -0.52 0.00 0.00 55.73 57.89 1i1k s ARG 16 Cb -0.12 -2.98 0.37 0.00 0.52 0.00 0.00 34.95 32.74 1i1k s ARG 16 CO 0.13 -0.52 1.60 2.35 0.02 0.00 0.00 175.30 178.87 1i1k h TRP 17 N 3.15 -0.37 0.00 -0.53 2.91 -1.83 -0.64 115.95 118.64 1i1k h TRP 17 Ca -0.50 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.57 1i1k h TRP 17 Cb 1.24 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 30.18 1i1k h TRP 17 CO 0.54 -0.34 -0.07 0.93 -1.03 0.00 0.00 178.44 178.47 1i1k h GLU 18 N 0.01 0.00 -0.02 2.65 3.07 -1.89 -2.48 114.58 115.93 1i1k h GLU 18 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1i1k h GLU 18 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1i1k h GLU 18 CO -0.82 0.07 -0.13 -0.25 -1.40 0.00 0.00 179.01 176.47 1i1k n ASP 19 N -3.34 1.67 -4.58 1.42 8.00 -0.26 -4.72 116.55 114.75 1i1k n ASP 19 Ca -0.01 -1.40 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 1i1k n ASP 19 Cb 0.23 0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 1i1k n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1k s ALA 20 N -2.21 3.10 0.15 2.24 0.00 -0.93 -4.93 121.76 119.18 1i1k s ALA 20 Ca 0.30 -2.79 0.08 0.00 0.00 0.00 0.00 51.96 49.56 1i1k s ALA 20 Cb 0.20 -4.65 -0.04 0.00 0.00 0.00 0.00 23.12 18.63 1i1k s ALA 20 CO 0.41 -3.56 -0.19 0.15 0.00 0.00 0.00 175.76 172.57 1i1k s LYS 21 N 4.55 1.24 0.10 0.00 1.02 -1.26 -5.09 119.74 120.29 1i1k s LYS 21 Ca 0.55 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1i1k s LYS 21 Cb 0.03 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 1i1k s LYS 21 CO 0.08 0.29 -0.09 0.54 -0.92 0.00 0.00 175.35 175.24 1i1k s VAL 22 N -1.78 0.89 0.48 3.17 0.11 -1.26 -5.14 120.40 116.87 1i1k s VAL 22 Ca 0.13 -1.69 -0.23 0.00 -2.93 0.00 0.00 61.98 57.26 1i1k s VAL 22 Cb -0.07 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.31 1i1k s VAL 22 CO 0.06 -0.61 1.29 -2.28 -3.33 0.00 0.00 175.10 170.22 1i1k s HIS 23 N -2.64 2.61 -0.29 1.54 2.46 -1.26 -4.90 115.29 112.82 1i1k s HIS 23 Ca 0.06 1.43 0.23 0.00 0.47 0.00 0.00 55.06 57.25 1i1k s HIS 23 Cb -0.02 -3.64 1.12 0.00 -0.13 0.00 0.00 32.58 29.91 1i1k s HIS 23 CO -0.01 -2.26 1.70 1.55 -2.47 0.00 0.00 174.74 173.25 1i1k n VAL 24 N -0.52 0.93 -0.02 0.89 3.14 -1.26 -1.48 118.33 120.01 1i1k n VAL 24 Ca 0.07 0.53 0.07 0.00 -2.96 0.00 0.00 64.34 62.06 1i1k n VAL 24 Cb 0.45 -1.50 0.27 0.00 -1.06 0.00 0.00 33.84 32.00 1i1k n VAL 24 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1i1k n MET 25 N -2.28 2.93 -1.87 1.45 2.81 -1.26 -4.89 117.12 114.01 1i1k n MET 25 Ca -0.00 -2.13 -0.42 0.00 -1.81 0.00 0.00 57.70 53.34 1i1k n MET 25 Cb 0.12 -1.69 -0.03 0.00 -0.71 0.00 0.00 33.22 30.91 1i1k n MET 25 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i1k s SER 26 N -0.83 6.51 0.24 7.83 0.01 -0.55 -4.56 113.70 122.35 1i1k s SER 26 Ca 0.38 2.73 -0.10 0.00 1.31 0.00 0.00 55.95 60.27 1i1k s SER 26 Cb 0.24 -2.60 0.35 0.00 0.21 0.00 0.00 66.02 64.21 1i1k s SER 26 CO 0.20 -0.86 1.61 -0.74 0.41 0.00 0.00 173.24 173.85 1i1k h HIS 27 N 6.41 -0.35 -0.20 2.43 2.76 -1.08 -1.38 115.15 123.73 1i1k h HIS 27 Ca -0.44 0.07 0.06 0.00 -2.20 0.00 0.00 60.37 57.86 1i1k h HIS 27 Cb 1.21 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 1i1k h HIS 27 CO 0.63 -0.32 0.17 0.00 -1.30 0.00 0.00 177.93 177.11 1i1k h ALA 28 N 1.77 2.04 0.00 5.26 0.00 -1.42 0.37 119.26 127.28 1i1k h ALA 28 Ca 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1i1k h ALA 28 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1i1k h ALA 28 CO -0.78 -0.27 -0.54 -0.07 0.00 0.00 0.00 179.25 177.59 1i1k h LEU 29 N 0.00 0.00 0.03 0.00 3.38 -1.54 -2.57 115.31 114.60 1i1k h LEU 29 Ca 0.10 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.70 1i1k h LEU 29 Cb 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1i1k h LEU 29 CO -0.00 0.54 -2.24 1.41 0.09 0.00 0.00 178.44 178.24 1i1k n HIS 30 N -3.73 0.41 -0.21 1.13 8.25 -0.51 -4.71 115.22 115.85 1i1k n HIS 30 Ca -0.01 0.11 0.03 0.00 -0.26 0.00 0.00 57.72 57.59 1i1k n HIS 30 Cb 0.58 -1.06 0.07 0.00 1.12 0.00 0.00 29.99 30.69 1i1k n HIS 30 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1i1k n TYR 31 N -3.13 0.16 -1.53 4.41 4.02 0.00 -4.99 117.16 116.10 1i1k n TYR 31 Ca -0.35 -0.57 -0.18 0.00 -0.01 0.00 0.00 57.90 56.78 1i1k n TYR 31 Cb 1.06 -0.07 -0.08 0.00 -0.02 0.00 0.00 39.34 40.23 1i1k n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1k n GLY 32 N -0.36 1.74 2.87 2.72 0.00 -0.97 -4.87 105.19 106.32 1i1k n GLY 32 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1i1k n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1k n THR 33 N -2.35 3.50 -3.85 2.61 -2.24 -1.26 -2.46 114.28 108.24 1i1k n THR 33 Ca -0.18 -3.15 -0.09 0.00 -2.27 0.00 0.00 64.05 58.35 1i1k n THR 33 Cb 0.66 -2.57 -0.07 0.00 -2.10 0.00 0.00 70.33 66.25 1i1k n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i1k s SER 34 N 3.39 0.08 -0.01 3.42 1.04 -1.26 -2.23 113.70 118.12 1i1k s SER 34 Ca 0.48 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.38 1i1k s SER 34 Cb 0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1i1k s SER 34 CO -0.06 -0.68 -0.07 -0.69 0.98 0.00 0.00 173.24 172.71 1i1k s VAL 35 N -3.47 0.62 0.24 5.02 1.01 0.22 -0.57 120.40 123.46 1i1k s VAL 35 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1i1k s VAL 35 Cb 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1i1k s VAL 35 CO -0.09 0.19 0.26 0.72 0.00 0.00 0.00 175.10 176.18 1i1k s PHE 36 N 0.05 1.02 0.17 5.22 -0.12 -0.74 -0.78 117.98 122.80 1i1k s PHE 36 Ca -0.00 -1.24 0.02 0.00 -0.05 0.00 0.00 56.93 55.65 1i1k s PHE 36 Cb -0.06 -0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1i1k s PHE 36 CO -0.00 -0.79 -0.01 -1.21 -0.05 0.00 0.00 175.22 173.16 1i1k s GLU 37 N -3.96 1.09 -0.17 1.99 0.41 -0.85 -4.77 118.70 112.44 1i1k s GLU 37 Ca 0.34 -1.52 -0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1i1k s GLU 37 Cb 0.04 -0.27 0.04 0.00 -1.78 0.00 0.00 34.13 32.16 1i1k s GLU 37 CO 0.14 -0.12 -0.06 0.20 -0.49 0.00 0.00 175.26 174.92 1i1k s GLY 38 N -3.16 1.00 0.08 -1.39 0.00 -1.26 -3.76 107.32 98.83 1i1k s GLY 38 Ca 0.23 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 44.14 1i1k s GLY 38 CO 0.03 0.88 -0.19 -0.42 0.00 0.00 0.00 173.10 173.40 1i1k s ILE 39 N 1.59 1.56 -0.03 0.90 1.01 -0.55 -4.87 121.20 120.82 1i1k s ILE 39 Ca 0.01 -1.41 0.07 0.00 0.00 0.00 0.00 60.65 59.32 1i1k s ILE 39 Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1i1k s ILE 39 CO -0.08 -0.04 -0.25 -0.13 0.00 0.00 0.00 174.94 174.43 1i1k s ARG 40 N -1.71 2.22 -0.21 2.79 1.81 -1.26 -0.13 118.95 122.46 1i1k s ARG 40 Ca 0.05 -0.92 -0.04 0.00 -1.72 0.00 0.00 55.73 53.10 1i1k s ARG 40 Cb -0.10 -2.08 -0.01 0.00 -0.45 0.00 0.00 34.95 32.32 1i1k s ARG 40 CO 0.03 0.52 -0.05 0.00 -0.68 0.00 0.00 175.30 175.13 1i1k s TYR 42 N 1.30 2.96 -0.35 0.00 1.51 0.64 -1.50 117.35 121.90 1i1k s TYR 42 Ca 0.04 -0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 55.83 1i1k s TYR 42 Cb -0.14 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1i1k s TYR 42 CO -0.02 0.43 0.88 0.34 -1.11 0.00 0.00 175.55 176.07 1i1k s ASP 43 N -1.77 6.66 0.10 2.29 2.15 -1.23 -0.18 116.67 124.70 1i1k s ASP 43 Ca 0.20 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.76 1i1k s ASP 43 Cb -0.11 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1i1k s ASP 43 CO 0.12 -0.79 0.01 -1.54 -0.17 0.00 0.00 175.17 172.80 1i1k n SER 44 N 6.60 2.19 0.00 -0.34 3.41 -0.67 -4.95 113.62 119.86 1i1k n SER 44 Ca 0.06 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.33 1i1k n SER 44 Cb 0.48 0.06 0.37 0.00 -0.26 0.00 0.00 64.21 64.86 1i1k n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1k n HIS 45 N -0.29 0.00 -0.37 7.33 1.44 -0.76 -1.71 115.22 120.86 1i1k n HIS 45 Ca -0.04 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.72 1i1k n HIS 45 Cb 0.12 -0.49 0.11 0.00 0.12 0.00 0.00 29.99 29.85 1i1k n HIS 45 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1i1k n LYS 46 N -1.49 2.67 0.00 -1.40 5.02 -1.26 -5.09 118.16 116.60 1i1k n LYS 46 Ca 0.04 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 1i1k n LYS 46 Cb 0.20 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1i1k n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i1k n GLY 47 N -0.33 -1.95 3.64 0.72 0.00 -0.69 -4.90 105.19 101.68 1i1k n GLY 47 Ca 0.09 -1.71 -0.48 0.00 0.00 0.00 0.00 46.02 43.92 1i1k n GLY 47 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i1k n PRO 48 N -0.01 1.79 -3.74 1.61 -0.02 -1.26 -1.67 135.00 131.70 1i1k n PRO 48 Ca 0.00 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 1i1k n PRO 48 Cb 0.00 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 1i1k n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1i1k s VAL 49 N 1.04 -0.09 -0.30 -1.45 0.11 0.75 -2.69 120.40 117.77 1i1k s VAL 49 Ca 0.82 0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 59.87 1i1k s VAL 49 Cb -0.78 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1i1k s VAL 49 CO 0.42 0.10 0.82 -0.69 -3.33 0.00 0.00 175.10 172.43 1i1k s VAL 50 N 1.39 4.76 -0.05 2.04 1.01 0.23 -0.26 120.40 129.53 1i1k s VAL 50 Ca -0.06 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1i1k s VAL 50 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1i1k s VAL 50 CO -0.05 -0.26 1.39 0.12 0.00 0.00 0.00 175.10 176.30 1i1k s PHE 51 N 3.02 2.77 -1.47 5.22 5.36 -0.66 -2.03 117.98 130.18 1i1k s PHE 51 Ca 0.34 0.81 -0.02 0.00 -0.96 0.00 0.00 56.93 57.10 1i1k s PHE 51 Cb -0.14 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1i1k s PHE 51 CO 0.12 -2.37 0.19 0.54 -1.46 0.00 0.00 175.22 172.24 1i1k n ARG 52 N 5.83 -1.68 0.13 10.12 1.74 0.14 -4.61 116.66 128.34 1i1k n ARG 52 Ca 0.14 0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 57.28 1i1k n ARG 52 Cb 0.44 -3.84 -0.06 0.00 -1.02 0.00 0.00 32.46 27.98 1i1k n ARG 52 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1i1k h HIS 53 N -1.86 -0.74 -0.82 -1.55 2.76 -1.75 -2.53 115.15 108.66 1i1k h HIS 53 Ca -0.65 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 57.57 1i1k h HIS 53 Cb 1.39 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 30.60 1i1k h HIS 53 CO 0.50 -0.39 0.51 -0.09 -1.30 0.00 0.00 177.93 177.16 1i1k h ARG 54 N -0.51 0.95 -0.65 5.26 9.65 -1.92 -2.42 114.38 124.73 1i1k h ARG 54 Ca 0.02 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1i1k h ARG 54 Cb 0.52 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1i1k h ARG 54 CO -0.13 0.63 0.43 0.93 2.80 0.00 0.00 179.97 184.62 1i1k h GLU 55 N 0.97 0.85 -0.46 0.20 3.07 -1.90 -0.48 114.58 116.84 1i1k h GLU 55 Ca 0.34 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.07 1i1k h GLU 55 Cb 0.08 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1i1k h GLU 55 CO -0.14 0.56 -0.01 0.45 -1.40 0.00 0.00 179.01 178.47 1i1k h HIS 56 N 0.88 0.90 0.00 4.33 3.86 -1.11 -1.43 115.15 122.58 1i1k h HIS 56 Ca 0.24 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1i1k h HIS 56 Cb -0.09 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.14 1i1k h HIS 56 CO -0.03 0.87 -0.37 0.52 0.86 0.00 0.00 177.93 179.79 1i1k h MET 57 N 0.67 0.00 -0.23 2.45 2.86 -1.18 -0.85 114.93 118.65 1i1k h MET 57 Ca 0.13 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1i1k h MET 57 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1i1k h MET 57 CO 0.03 0.37 -0.53 0.37 1.06 0.00 0.00 176.91 178.21 1i1k h GLN 58 N 0.00 0.66 -0.02 1.72 5.75 -0.78 -2.39 115.11 120.05 1i1k h GLN 58 Ca -0.00 -0.41 -0.14 0.00 -0.15 0.00 0.00 58.65 57.95 1i1k h GLN 58 Cb 0.70 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1i1k h GLN 58 CO 0.05 1.02 -0.62 -0.09 -2.65 0.00 0.00 178.83 176.55 1i1k h ARG 59 N 0.51 0.08 -0.47 1.69 2.43 -0.69 -1.19 114.38 116.75 1i1k h ARG 59 Ca 0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1i1k h ARG 59 Cb 1.09 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1i1k h ARG 59 CO 0.11 0.67 0.26 1.25 -1.51 0.00 0.00 179.97 180.75 1i1k h LEU 60 N 0.06 0.58 -0.67 3.80 6.46 -0.95 0.74 115.31 125.32 1i1k h LEU 60 Ca -0.01 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.56 1i1k h LEU 60 Cb 1.10 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1i1k h LEU 60 CO 0.09 0.49 -0.18 0.45 -0.62 0.00 0.00 178.44 178.66 1i1k h HIS 61 N 0.62 0.95 -0.44 1.25 3.86 -1.21 -2.50 115.15 117.67 1i1k h HIS 61 Ca 0.16 -0.21 -0.11 0.00 -1.16 0.00 0.00 60.37 59.06 1i1k h HIS 61 Cb 0.04 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1i1k h HIS 61 CO -0.02 0.95 -0.15 -0.44 0.86 0.00 0.00 177.93 179.13 1i1k h ASP 62 N 0.74 0.84 -0.57 2.45 3.32 -0.73 -0.76 116.42 121.71 1i1k h ASP 62 Ca 0.11 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1i1k h ASP 62 Cb 0.71 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1i1k h ASP 62 CO 0.05 0.99 -0.03 0.28 -1.72 0.00 0.00 179.24 178.81 1i1k h SER 63 N 0.74 1.02 -0.31 6.45 0.02 -0.75 -2.34 113.55 118.38 1i1k h SER 63 Ca 0.12 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 1i1k h SER 63 Cb 0.66 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1i1k h SER 63 CO 0.05 1.08 -0.29 0.00 -1.14 0.00 0.00 176.83 176.53 1i1k h ALA 64 N 1.01 0.76 -0.82 3.77 0.00 -1.28 -3.10 119.26 119.60 1i1k h ALA 64 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1i1k h ALA 64 Cb 0.58 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1i1k h ALA 64 CO 0.03 0.66 0.48 -0.22 0.00 0.00 0.00 179.25 180.20 1i1k h LYS 65 N 0.70 1.12 -0.75 0.00 3.64 -0.89 0.23 116.57 120.63 1i1k h LYS 65 Ca 0.08 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1i1k h LYS 65 Cb 0.84 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1i1k h LYS 65 CO 0.07 0.80 0.37 0.82 -2.27 0.00 0.00 179.45 179.24 1i1k h ILE 66 N 1.13 1.23 -0.01 2.00 2.04 -1.36 -2.14 117.51 120.41 1i1k h ILE 66 Ca 0.29 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1i1k h ILE 66 Cb -0.03 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1i1k h ILE 66 CO -0.05 0.27 -0.28 -1.22 0.00 0.00 0.00 178.15 176.87 1i1k n TYR 67 N -4.33 0.00 -2.31 1.37 4.02 -1.01 -4.96 117.16 109.94 1i1k n TYR 67 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.84 1i1k n TYR 67 Cb 0.13 -0.11 -0.00 0.00 -0.02 0.00 0.00 39.34 39.34 1i1k n TYR 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1i1k n ARG 68 N -0.58 -1.29 -2.64 -0.72 1.74 0.61 -4.99 116.66 108.79 1i1k n ARG 68 Ca 0.12 0.61 -0.43 0.00 -0.77 0.00 0.00 57.85 57.38 1i1k n ARG 68 Cb 0.36 -4.80 -0.02 0.00 -1.02 0.00 0.00 32.46 26.98 1i1k n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i1k s PHE 69 N -2.67 3.42 0.10 -1.55 0.08 -0.03 -4.99 117.98 112.33 1i1k s PHE 69 Ca 0.03 1.50 -0.31 0.00 0.12 0.00 0.00 56.93 58.27 1i1k s PHE 69 Cb -0.01 -3.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.12 1i1k s PHE 69 CO 0.03 -0.46 1.40 -1.25 -0.10 0.00 0.00 175.22 174.84 1i1k s PRO 70 N 2.32 4.31 -0.23 0.24 0.04 -1.26 -4.59 135.00 135.83 1i1k s PRO 70 Ca 0.49 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.61 1i1k s PRO 70 Cb -0.19 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.09 1i1k s PRO 70 CO 0.16 -0.46 -0.14 0.08 0.04 0.00 0.00 177.00 176.68 1i1k s VAL 71 N 1.34 2.06 0.22 -0.36 1.01 -1.26 -3.76 120.40 119.66 1i1k s VAL 71 Ca 0.65 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1i1k s VAL 71 Cb -0.36 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 1i1k s VAL 71 CO 0.30 0.18 1.52 0.28 0.00 0.00 0.00 175.10 177.37 1i1k h SER 72 N 7.85 0.14 -3.39 3.32 0.02 -1.94 -3.45 113.55 116.10 1i1k h SER 72 Ca -0.29 -0.09 -0.55 0.00 -0.84 0.00 0.00 61.79 60.02 1i1k h SER 72 Cb 1.08 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 1i1k h SER 72 CO 0.52 0.80 0.08 -1.10 -1.14 0.00 0.00 176.83 175.98 1i1k s GLN 73 N -3.49 4.39 0.75 3.45 1.11 -1.26 -5.08 119.66 119.53 1i1k s GLN 73 Ca -0.02 0.96 -0.09 0.00 0.01 0.00 0.00 55.36 56.21 1i1k s GLN 73 Cb 0.12 -3.25 0.06 0.00 -1.01 0.00 0.00 33.01 28.93 1i1k s GLN 73 CO 0.79 0.60 1.09 -1.54 0.01 0.00 0.00 175.29 176.25 1i1k s SER 74 N -1.14 4.76 0.30 5.90 1.04 -1.26 -4.87 113.70 118.43 1i1k s SER 74 Ca 0.33 0.68 -0.01 0.00 0.48 0.00 0.00 55.95 57.42 1i1k s SER 74 Cb -0.21 -1.28 0.48 0.00 0.10 0.00 0.00 66.02 65.11 1i1k s SER 74 CO 0.23 -1.70 1.95 0.40 0.98 0.00 0.00 173.24 175.10 1i1k h ILE 75 N -0.80 1.16 -0.32 -1.02 2.04 -1.98 -1.87 117.51 114.72 1i1k h ILE 75 Ca -0.45 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 64.88 1i1k h ILE 75 Cb 1.31 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1i1k h ILE 75 CO 0.63 0.20 -0.42 0.44 0.00 0.00 0.00 178.15 179.00 1i1k h ASP 76 N 1.08 0.85 -0.20 1.72 3.32 -1.99 -1.28 116.42 119.93 1i1k h ASP 76 Ca 0.33 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1i1k h ASP 76 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1i1k h ASP 76 CO -0.09 1.15 0.12 -0.33 -1.72 0.00 0.00 179.24 178.37 1i1k h GLU 77 N 0.64 0.27 -0.56 3.56 5.08 -1.83 -0.86 114.58 120.87 1i1k h GLU 77 Ca 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1i1k h GLU 77 Cb 0.98 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1i1k h GLU 77 CO 0.09 0.23 0.23 -0.07 -1.00 0.00 0.00 179.01 178.49 1i1k h LEU 78 N 0.24 0.74 -0.55 1.33 3.38 -1.23 -1.08 115.31 118.13 1i1k h LEU 78 Ca 0.07 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1i1k h LEU 78 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1i1k h LEU 78 CO -0.01 0.66 -0.27 0.24 0.09 0.00 0.00 178.44 179.14 1i1k h MET 79 N 0.80 0.87 -0.24 1.13 2.86 -0.85 -1.51 114.93 118.00 1i1k h MET 79 Ca 0.19 -0.39 -0.18 0.00 -2.06 0.00 0.00 59.70 57.27 1i1k h MET 79 Cb 0.15 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1i1k h MET 79 CO -0.02 1.04 -0.55 1.49 1.06 0.00 0.00 176.91 179.92 1i1k h GLU 80 N 0.74 0.73 -0.72 1.72 4.22 -0.83 -2.49 114.58 117.95 1i1k h GLU 80 Ca 0.09 -0.46 -0.04 0.00 0.08 0.00 0.00 59.36 59.03 1i1k h GLU 80 Cb 0.83 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1i1k h GLU 80 CO 0.07 1.09 0.30 0.00 -2.18 0.00 0.00 179.01 178.29 1i1k h ALA 81 N 0.82 1.17 0.04 2.92 0.00 -1.11 -0.81 119.26 122.28 1i1k h ALA 81 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i1k h ALA 81 Cb 1.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1i1k h ALA 81 CO 0.11 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.95 1i1k h ARG 83 N -0.17 1.03 -0.77 0.00 3.08 -1.17 -2.20 114.38 114.17 1i1k h ARG 83 Ca -0.01 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1i1k h ARG 83 Cb 0.15 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1i1k h ARG 83 CO 0.01 0.68 0.50 -0.44 -1.07 0.00 0.00 179.97 179.64 1i1k h ASP 84 N 1.06 0.84 -0.44 7.04 3.32 -0.88 -0.87 116.42 126.48 1i1k h ASP 84 Ca 0.34 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 1i1k h ASP 84 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1i1k h ASP 84 CO -0.12 0.59 0.05 0.58 -1.72 0.00 0.00 179.24 178.63 1i1k h VAL 85 N 0.99 1.24 -0.24 -1.35 2.07 -0.69 0.15 116.25 118.42 1i1k h VAL 85 Ca 0.29 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1i1k h VAL 85 Cb -0.05 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1i1k h VAL 85 CO -0.09 0.34 -0.20 0.40 0.02 0.00 0.00 177.57 178.04 1i1k h ILE 86 N 0.77 1.31 0.39 4.57 2.04 -0.91 -2.40 117.51 123.30 1i1k h ILE 86 Ca 0.16 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1i1k h ILE 86 Cb 0.39 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1i1k h ILE 86 CO 0.01 0.42 -0.19 0.03 0.00 0.00 0.00 178.15 178.42 1i1k h ARG 87 N 0.26 -0.51 -0.60 2.37 3.08 -0.94 -1.45 114.38 116.59 1i1k h ARG 87 Ca 0.04 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.30 1i1k h ARG 87 Cb 0.74 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1i1k h ARG 87 CO 0.05 -0.23 0.47 -0.22 -1.07 0.00 0.00 179.97 178.97 1i1k h LYS 88 N -0.76 0.00 -0.18 0.04 1.63 -0.78 0.12 116.57 116.63 1i1k h LYS 88 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1i1k h LYS 88 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1i1k h LYS 88 CO 0.09 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.18 1i1k n ASN 89 N -4.18 2.76 -3.87 4.20 3.02 -0.90 -4.97 115.26 111.33 1i1k n ASN 89 Ca 0.12 -1.89 -0.26 0.00 -0.03 0.00 0.00 54.58 52.52 1i1k n ASN 89 Cb 0.71 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.78 1i1k n ASN 89 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i1k n ASN 90 N 1.09 -1.90 -4.85 6.41 4.13 0.41 -4.93 115.26 115.61 1i1k n ASN 90 Ca 0.17 -0.88 -0.32 0.00 1.68 0.00 0.00 54.58 55.23 1i1k n ASN 90 Cb 0.53 -3.62 -0.05 0.00 -1.54 0.00 0.00 39.78 35.09 1i1k n ASN 90 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1i1k s LEU 91 N -6.95 4.15 0.00 3.41 1.43 -0.60 -5.00 118.68 115.13 1i1k s LEU 91 Ca 0.21 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1i1k s LEU 91 Cb -0.11 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1i1k s LEU 91 CO 0.85 0.23 0.00 0.35 0.23 0.00 0.00 176.35 178.01 1i1k n THR 92 N 0.80 0.00 -3.96 5.49 -2.24 -1.26 -4.72 114.28 108.39 1i1k n THR 92 Ca -0.10 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1i1k n THR 92 Cb 0.52 -0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 68.05 1i1k n THR 92 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i1k s SER 93 N -3.84 2.97 0.29 3.42 1.04 -1.26 -3.56 113.70 112.75 1i1k s SER 93 Ca 0.00 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1i1k s SER 93 Cb 0.00 -1.08 0.02 0.00 0.10 0.00 0.00 66.02 65.06 1i1k s SER 93 CO 0.00 -0.14 0.66 0.00 0.98 0.00 0.00 173.24 174.73 1i1k s ALA 94 N 1.52 -0.81 -0.19 5.32 0.00 -0.56 -2.50 121.76 124.54 1i1k s ALA 94 Ca 0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1i1k s ALA 94 Cb -0.15 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1i1k s ALA 94 CO -0.08 -0.97 -0.06 -0.47 0.00 0.00 0.00 175.76 174.17 1i1k s TYR 95 N -3.68 2.93 -0.10 0.00 5.04 -0.12 -0.57 117.35 120.85 1i1k s TYR 95 Ca 0.15 -0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 53.93 1i1k s TYR 95 Cb -0.04 -2.03 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 1i1k s TYR 95 CO 0.09 -0.42 0.06 0.42 -1.34 0.00 0.00 175.55 174.35 1i1k s ILE 96 N 1.11 4.77 -0.41 3.14 1.09 0.81 -1.83 121.20 129.90 1i1k s ILE 96 Ca 0.01 -0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.51 1i1k s ILE 96 Cb -0.15 -3.04 0.12 0.00 -1.06 0.00 0.00 42.46 38.34 1i1k s ILE 96 CO -0.01 0.60 0.19 -0.60 -0.10 0.00 0.00 174.94 175.03 1i1k s ARG 97 N -0.87 1.18 0.19 2.79 6.06 0.13 -1.48 118.95 126.95 1i1k s ARG 97 Ca 0.13 -1.80 -0.29 0.00 -2.50 0.00 0.00 55.73 51.27 1i1k s ARG 97 Cb -0.12 -2.33 -0.08 0.00 0.06 0.00 0.00 34.95 32.48 1i1k s ARG 97 CO 0.03 -1.11 0.92 -2.14 -2.50 0.00 0.00 175.30 170.50 1i1k s PRO 98 N 0.66 4.77 -0.07 5.12 0.02 -1.25 -2.11 135.00 142.14 1i1k s PRO 98 Ca 0.15 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 62.56 1i1k s PRO 98 Cb -0.23 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 31.03 1i1k s PRO 98 CO -0.06 0.44 0.14 -1.17 -0.33 0.00 0.00 177.00 176.02 1i1k s LEU 99 N -0.85 0.09 -0.21 -5.54 0.20 0.72 -2.01 118.68 111.08 1i1k s LEU 99 Ca 0.42 0.28 -0.06 0.00 0.69 0.00 0.00 54.13 55.46 1i1k s LEU 99 Cb -0.25 0.21 -0.03 0.00 -0.43 0.00 0.00 46.19 45.70 1i1k s LEU 99 CO 0.30 -0.23 0.02 -0.63 -0.29 0.00 0.00 176.35 175.52 1i1k s ILE 100 N 2.10 4.05 0.04 6.68 1.01 0.04 -1.23 121.20 133.88 1i1k s ILE 100 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1i1k s ILE 100 Cb -0.12 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1i1k s ILE 100 CO -0.05 0.41 0.10 0.72 0.00 0.00 0.00 174.94 176.12 1i1k s PHE 101 N 1.08 0.19 -0.28 3.97 -0.12 -0.19 -0.61 117.98 122.02 1i1k s PHE 101 Ca 0.03 -0.47 -0.26 0.00 -0.05 0.00 0.00 56.93 56.17 1i1k s PHE 101 Cb -0.14 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.12 1i1k s PHE 101 CO 0.02 -0.36 0.93 0.08 -0.05 0.00 0.00 175.22 175.84 1i1k s VAL 102 N -2.51 4.70 0.00 -2.49 1.01 -0.95 -0.88 120.40 119.28 1i1k s VAL 102 Ca -0.06 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1i1k s VAL 102 Cb -0.02 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1i1k s VAL 102 CO -0.04 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1i1k n GLY 103 N 3.86 1.30 3.55 4.51 0.00 -1.26 -1.31 105.19 115.83 1i1k n GLY 103 Ca 0.08 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1i1k n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i1k n ASP 104 N 0.00 2.41 -0.62 1.61 4.64 -1.26 -1.36 116.55 121.98 1i1k n ASP 104 Ca 0.00 -2.62 0.00 0.00 -1.38 0.00 0.00 54.79 50.79 1i1k n ASP 104 Cb 0.00 -1.66 0.00 0.00 -1.04 0.00 0.00 41.12 38.42 1i1k n ASP 104 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1i1k n VAL 105 N 8.10 0.00 -0.34 5.18 3.14 -1.26 -5.01 118.33 128.14 1i1k n VAL 105 Ca 0.44 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.64 1i1k n VAL 105 Cb 0.46 -0.07 0.17 0.00 -1.06 0.00 0.00 33.84 33.34 1i1k n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i1k n GLY 106 N 5.00 -3.51 0.52 7.55 0.00 -1.26 -4.83 105.19 108.66 1i1k n GLY 106 Ca 0.00 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.81 1i1k n GLY 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i1k n MET 107 N -4.07 1.33 -2.30 1.61 2.81 -1.26 -4.77 117.12 110.47 1i1k n MET 107 Ca 0.09 -1.05 -0.37 0.00 -1.81 0.00 0.00 57.70 54.55 1i1k n MET 107 Cb 0.36 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 1i1k n MET 107 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1i1k s GLY 108 N -2.39 2.80 0.23 3.03 0.00 -1.26 -4.93 107.32 104.80 1i1k s GLY 108 Ca 0.22 0.92 -0.08 0.00 0.00 0.00 0.00 44.72 45.77 1i1k s GLY 108 CO 0.51 1.39 1.89 -2.08 0.00 0.00 0.00 173.10 174.81 1i1k h VAL 109 N 2.06 1.19 -3.63 1.40 2.07 -2.02 -3.38 116.25 113.93 1i1k h VAL 109 Ca -0.49 -0.39 -0.61 0.00 0.82 0.00 0.00 66.70 66.04 1i1k h VAL 109 Cb 1.24 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.87 1i1k h VAL 109 CO 0.61 0.21 0.52 0.20 0.02 0.00 0.00 177.57 179.13 1i1k s ASN 110 N -5.94 6.49 0.49 0.57 -0.87 -1.26 -5.02 114.94 109.40 1i1k s ASN 110 Ca -0.13 0.11 -0.24 0.00 -1.57 0.00 0.00 52.86 51.03 1i1k s ASN 110 Cb 0.16 -2.43 -0.07 0.00 -0.02 0.00 0.00 41.25 38.89 1i1k s ASN 110 CO 0.79 -0.99 1.36 -2.65 -2.57 0.00 0.00 177.10 173.05 1i1k n PRO 111 N 6.99 1.94 -2.08 -0.60 -0.02 -1.26 -4.94 135.00 135.03 1i1k n PRO 111 Ca 0.05 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1i1k n PRO 111 Cb 0.48 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1i1k n PRO 111 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1i1k s PRO 112 N -2.57 3.56 0.33 0.52 0.04 -1.26 -4.95 135.00 130.67 1i1k s PRO 112 Ca 0.65 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 1i1k s PRO 112 Cb -0.45 -2.38 -0.13 0.00 0.04 0.00 0.00 34.50 31.58 1i1k s PRO 112 CO 0.54 -0.77 1.29 0.00 0.04 0.00 0.00 177.00 178.10 1i1k n ALA 113 N -0.62 1.19 -0.58 8.56 0.00 -1.26 -2.51 120.51 125.28 1i1k n ALA 113 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1i1k n ALA 113 Cb 0.47 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1i1k n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1k n GLY 114 N 0.96 0.76 3.80 0.00 0.00 -1.26 -5.06 105.19 104.40 1i1k n GLY 114 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1i1k n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i1k s TYR 115 N -2.80 2.89 0.13 1.61 -0.85 -1.05 -5.07 117.35 112.21 1i1k s TYR 115 Ca 0.00 1.48 0.08 0.00 -0.52 0.00 0.00 57.07 58.11 1i1k s TYR 115 Cb 0.00 -2.96 -0.04 0.00 0.38 0.00 0.00 41.96 39.34 1i1k s TYR 115 CO 0.00 -1.45 -0.20 -1.12 -1.52 0.00 0.00 175.55 171.27 1i1k s SER 116 N -3.52 2.58 0.30 -0.18 0.01 -1.26 -4.81 113.70 106.82 1i1k s SER 116 Ca 0.60 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 1i1k s SER 116 Cb -0.16 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1i1k s SER 116 CO 0.53 0.02 0.52 0.42 0.41 0.00 0.00 173.24 175.14 1i1k s THR 117 N -1.54 5.10 -0.04 1.44 -4.23 -1.25 -4.65 115.64 110.47 1i1k s THR 117 Ca 0.10 -0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1i1k s THR 117 Cb -0.08 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 1i1k s THR 117 CO 0.05 -0.41 0.26 -1.81 -0.54 0.00 0.00 174.62 172.17 1i1k s ASP 118 N -3.57 6.53 -0.06 3.99 1.01 -0.06 -4.92 116.67 119.58 1i1k s ASP 118 Ca 0.41 0.61 0.03 0.00 0.71 0.00 0.00 52.55 54.31 1i1k s ASP 118 Cb -0.10 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1i1k s ASP 118 CO 0.33 0.32 -0.13 -0.69 0.21 0.00 0.00 175.17 175.21 1i1k s VAL 119 N -1.17 1.18 0.05 -1.27 1.01 -1.26 -1.02 120.40 117.92 1i1k s VAL 119 Ca 0.23 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1i1k s VAL 119 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1i1k s VAL 119 CO 0.12 0.36 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 1i1k s ILE 120 N 0.48 1.00 -0.22 2.22 1.09 -0.37 -0.90 121.20 124.51 1i1k s ILE 120 Ca -0.11 -1.05 -0.02 0.00 -1.10 0.00 0.00 60.65 58.36 1i1k s ILE 120 Cb -0.14 -0.94 0.07 0.00 -1.06 0.00 0.00 42.46 40.39 1i1k s ILE 120 CO 0.03 -0.10 0.04 -0.63 -0.10 0.00 0.00 174.94 174.18 1i1k s ILE 121 N -1.00 0.61 -0.01 2.92 1.01 -0.19 -0.20 121.20 124.34 1i1k s ILE 121 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1i1k s ILE 121 Cb -0.08 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1i1k s ILE 121 CO 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 174.94 174.56 1i1k s ALA 122 N 1.81 2.87 0.01 9.38 0.00 -0.90 -2.13 121.76 132.80 1i1k s ALA 122 Ca 0.01 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1i1k s ALA 122 Cb -0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1i1k s ALA 122 CO -0.12 0.59 -0.09 0.00 0.00 0.00 0.00 175.76 176.15 1i1k s ALA 123 N -0.92 0.70 -0.02 0.00 0.00 -1.26 0.18 121.76 120.44 1i1k s ALA 123 Ca 0.15 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 1i1k s ALA 123 Cb -0.11 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1i1k s ALA 123 CO 0.05 0.13 0.31 -0.59 0.00 0.00 0.00 175.76 175.66 1i1k s PHE 124 N -0.55 -0.19 0.28 0.00 -0.12 -0.76 -4.65 117.98 111.99 1i1k s PHE 124 Ca -0.00 0.30 -0.28 0.00 -0.05 0.00 0.00 56.93 56.90 1i1k s PHE 124 Cb -0.05 0.09 -0.15 0.00 -0.63 0.00 0.00 43.02 42.29 1i1k s PHE 124 CO 0.00 -0.37 0.87 -2.30 -0.05 0.00 0.00 175.22 173.37 1i1k n PRO 125 N 1.39 0.99 -4.29 1.99 -0.02 -1.26 -0.94 135.00 132.86 1i1k n PRO 125 Ca -0.21 0.35 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1i1k n PRO 125 Cb 0.56 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 32.31 1i1k n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1i1k s TRP 126 N -1.07 1.41 0.00 6.00 -0.11 -1.04 -4.68 118.94 119.45 1i1k s TRP 126 Ca 0.60 -1.06 0.00 0.00 1.22 0.00 0.00 56.10 56.86 1i1k s TRP 126 Cb -0.75 -0.82 0.00 0.00 -1.50 0.00 0.00 33.47 30.40 1i1k s TRP 126 CO 0.59 -0.22 0.00 0.00 -4.62 0.00 0.00 176.95 172.70 1i1k n ALA 134 N -0.36 0.00 0.00 5.86 0.00 -1.26 -4.57 120.51 120.17 1i1k n ALA 134 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1i1k n ALA 134 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1i1k n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i1k n LEU 135 N 0.00 0.00 -0.07 0.00 4.32 -1.26 -4.72 117.00 115.27 1i1k n LEU 135 Ca 0.00 -0.01 -0.09 0.00 -0.02 0.00 0.00 56.01 55.89 1i1k n LEU 135 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1i1k n LEU 135 CO 0.00 0.00 -0.93 -0.62 -1.22 0.00 0.00 177.39 174.62 1i1k n GLU 136 N -0.02 0.50 0.01 3.23 4.71 -1.26 -4.70 120.64 123.11 1i1k n GLU 136 Ca 0.00 0.07 -0.21 0.00 -0.01 0.00 0.00 57.16 57.01 1i1k n GLU 136 Cb 0.00 -1.27 -0.14 0.00 -1.01 0.00 0.00 31.44 29.02 1i1k n GLU 136 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1i1k h GLN 137 N 0.00 0.27 0.00 3.49 3.07 -1.95 -3.34 115.11 116.64 1i1k h GLN 137 Ca -0.30 -0.46 0.00 0.00 0.09 0.00 0.00 58.65 57.98 1i1k h GLN 137 Cb 1.48 0.17 0.00 0.00 0.08 0.00 0.00 27.48 29.21 1i1k h GLN 137 CO -0.04 1.21 0.00 0.41 0.09 0.00 0.00 178.83 180.50 1i1k n GLY 138 N 1.98 2.30 3.73 0.06 0.00 -1.26 -3.85 105.19 108.15 1i1k n GLY 138 Ca -0.31 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 1i1k n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i1k s ILE 139 N -2.77 2.81 -0.22 -0.61 -4.36 -0.11 -4.70 121.20 111.24 1i1k s ILE 139 Ca 0.00 -1.71 -0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1i1k s ILE 139 Cb 0.00 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1i1k s ILE 139 CO 0.00 -0.14 0.11 -1.81 0.24 0.00 0.00 174.94 173.35 1i1k s ASP 140 N -3.86 5.84 0.28 4.36 1.01 -1.26 -0.99 116.67 122.05 1i1k s ASP 140 Ca 0.39 0.07 0.11 0.00 0.71 0.00 0.00 52.55 53.83 1i1k s ASP 140 Cb -0.01 -2.03 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 1i1k s ASP 140 CO 0.22 0.10 -0.17 0.00 0.21 0.00 0.00 175.17 175.53 1i1k s ALA 141 N 0.84 2.69 0.07 5.23 0.00 -0.30 -1.00 121.76 129.29 1i1k s ALA 141 Ca 0.06 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.15 1i1k s ALA 141 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1i1k s ALA 141 CO 0.02 0.22 -0.08 0.00 0.00 0.00 0.00 175.76 175.92 1i1k s MET 142 N -3.55 0.67 -0.25 0.00 0.23 -0.94 -0.84 119.30 114.62 1i1k s MET 142 Ca 0.30 -0.98 -0.26 0.00 -1.03 0.00 0.00 55.69 53.72 1i1k s MET 142 Cb -0.03 -0.33 -0.00 0.00 -1.53 0.00 0.00 34.83 32.94 1i1k s MET 142 CO 0.14 0.04 0.89 0.08 -2.03 0.00 0.00 175.02 174.14 1i1k s VAL 143 N -2.12 4.78 0.76 5.16 1.01 -1.26 -0.35 120.40 128.39 1i1k s VAL 143 Ca -0.02 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 1i1k s VAL 143 Cb -0.05 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1i1k s VAL 143 CO -0.01 -0.12 1.13 -0.55 0.00 0.00 0.00 175.10 175.55 1i1k s SER 144 N 1.34 4.27 0.00 3.32 0.15 -0.07 -4.87 113.70 117.83 1i1k s SER 144 Ca 0.37 2.07 0.27 0.00 0.70 0.00 0.00 55.95 59.36 1i1k s SER 144 Cb -0.15 -2.55 0.83 0.00 -1.71 0.00 0.00 66.02 62.44 1i1k s SER 144 CO 0.08 -2.20 1.62 -1.54 1.20 0.00 0.00 173.24 172.39 1i1k n SER 145 N -3.18 0.68 -4.78 5.45 3.41 -1.26 -4.76 113.62 109.17 1i1k n SER 145 Ca 0.11 -0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 57.82 1i1k n SER 145 Cb 0.52 0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 1i1k n SER 145 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1i1k s TRP 146 N -2.67 3.44 0.18 7.33 0.52 -1.26 -5.11 118.94 121.37 1i1k s TRP 146 Ca 0.21 0.37 -0.00 0.00 0.02 0.00 0.00 56.10 56.70 1i1k s TRP 146 Cb 0.19 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1i1k s TRP 146 CO 0.56 0.53 0.35 -0.80 0.02 0.00 0.00 176.95 177.61 1i1k s ASN 147 N -0.54 6.38 0.51 2.95 0.02 -1.26 -4.33 114.94 118.67 1i1k s ASN 147 Ca 0.12 0.35 -0.16 0.00 -1.02 0.00 0.00 52.86 52.15 1i1k s ASN 147 Cb -0.12 -1.99 -0.07 0.00 0.02 0.00 0.00 41.25 39.09 1i1k s ASN 147 CO 0.02 -0.00 0.97 -0.13 0.02 0.00 0.00 177.10 177.98 1i1k s ARG 148 N -3.20 3.91 0.14 -0.60 0.52 -0.68 -4.97 118.95 114.07 1i1k s ARG 148 Ca 0.37 0.89 -0.32 0.00 -0.52 0.00 0.00 55.73 56.15 1i1k s ARG 148 Cb -0.11 -2.16 -0.17 0.00 0.52 0.00 0.00 34.95 33.03 1i1k s ARG 148 CO 0.29 -0.27 0.84 0.00 0.02 0.00 0.00 175.30 176.18 1i1k n ALA 149 N -1.63 -2.50 -1.77 2.13 0.00 -1.26 -4.12 120.51 111.36 1i1k n ALA 149 Ca 0.06 0.49 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 1i1k n ALA 149 Cb 0.54 -1.77 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1i1k n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1k s ALA 150 N -0.55 2.72 0.21 0.00 0.00 -1.26 -4.80 121.76 118.08 1i1k s ALA 150 Ca 0.73 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 1i1k s ALA 150 Cb -1.00 -3.38 0.28 0.00 0.00 0.00 0.00 23.12 19.02 1i1k s ALA 150 CO 0.56 -0.81 1.29 -2.30 0.00 0.00 0.00 175.76 174.49 1i1k n PRO 151 N -1.22 -0.14 -2.09 0.00 -0.02 -1.26 -2.71 135.00 127.55 1i1k n PRO 151 Ca 0.11 1.28 -0.30 0.00 -2.02 0.00 0.00 63.50 62.57 1i1k n PRO 151 Cb 0.50 -1.90 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1i1k n PRO 151 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i1k n ASN 152 N -5.27 5.76 0.00 2.55 5.15 -1.26 -4.75 115.26 117.44 1i1k n ASN 152 Ca 0.10 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.32 1i1k n ASN 152 Cb 0.37 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1i1k n ASN 152 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1i1k n THR 153 N -0.61 0.00 -4.02 -0.44 -2.24 -1.10 -5.00 114.28 100.87 1i1k n THR 153 Ca 0.47 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.91 1i1k n THR 153 Cb 0.65 -0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 1i1k n THR 153 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i1k s ILE 154 N 0.00 2.48 -0.30 2.28 1.01 -1.26 -5.07 121.20 120.34 1i1k s ILE 154 Ca 0.00 -1.34 -0.40 0.00 0.00 0.00 0.00 60.65 58.91 1i1k s ILE 154 Cb 0.00 -2.35 -0.15 0.00 0.01 0.00 0.00 42.46 39.97 1i1k s ILE 154 CO 0.00 0.09 1.83 -0.81 0.00 0.00 0.00 174.94 176.05 1i1k n PRO 155 N 4.55 1.09 0.00 2.79 -0.04 -1.26 -4.86 135.00 137.27 1i1k n PRO 155 Ca -0.15 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1i1k n PRO 155 Cb 0.45 -2.13 0.60 0.00 -0.04 0.00 0.00 33.50 32.38 1i1k n PRO 155 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i1k n THR 156 N 5.08 0.00 0.21 0.52 -2.24 -1.26 -3.37 114.28 113.22 1i1k n THR 156 Ca 0.30 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 62.18 1i1k n THR 156 Cb 0.13 -0.31 0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1i1k n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1k h ALA 157 N 3.23 0.96 -2.84 6.98 0.00 -1.89 -3.36 119.26 122.34 1i1k h ALA 157 Ca 0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 54.91 54.26 1i1k h ALA 157 Cb 0.42 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1i1k h ALA 157 CO 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 179.25 179.17 1i1k s ALA 158 N -3.18 3.57 -1.21 0.00 0.00 -1.22 -4.71 121.76 115.01 1i1k s ALA 158 Ca 0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1i1k s ALA 158 Cb 0.05 -2.54 0.19 0.00 0.00 0.00 0.00 23.12 20.83 1i1k s ALA 158 CO 0.68 0.20 1.49 1.17 0.00 0.00 0.00 175.76 179.30 1i1k n LYS 159 N 2.91 3.51 -4.08 0.00 4.81 -1.26 -4.98 118.16 119.06 1i1k n LYS 159 Ca -0.10 -3.90 -0.27 0.00 -0.87 0.00 0.00 58.31 53.17 1i1k n LYS 159 Cb 0.52 -2.92 -0.06 0.00 0.02 0.00 0.00 35.03 32.59 1i1k n LYS 159 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i1k s ALA 160 N 0.67 3.54 0.12 3.14 0.00 -1.26 -1.78 121.76 126.19 1i1k s ALA 160 Ca 0.40 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1i1k s ALA 160 Cb -0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1i1k s ALA 160 CO -0.00 0.54 1.68 0.78 0.00 0.00 0.00 175.76 178.76 1i1k h GLY 161 N 2.58 -0.10 1.00 0.00 0.00 -0.98 -2.61 103.07 102.96 1i1k h GLY 161 Ca -0.47 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.11 1i1k h GLY 161 CO 0.63 -0.14 0.41 -1.33 0.00 0.00 0.00 176.54 176.11 1i1k h GLY 162 N -0.19 0.00 1.73 4.60 0.00 -1.73 -1.19 103.07 106.28 1i1k h GLY 162 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1i1k h GLY 162 CO -0.19 0.00 0.05 3.43 0.00 0.00 0.00 176.54 179.82 1i1k h ASN 163 N 0.00 0.32 0.19 0.19 4.21 -1.79 -3.15 115.58 115.54 1i1k h ASN 163 Ca 0.15 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1i1k h ASN 163 Cb 0.97 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1i1k h ASN 163 CO -0.00 0.34 0.00 -1.22 -1.29 0.00 0.00 177.43 175.26 1i1k n TYR 164 N -4.38 0.00 0.02 1.19 4.02 -0.45 -2.21 117.16 115.35 1i1k n TYR 164 Ca 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1i1k n TYR 164 Cb 0.17 -0.24 0.29 0.00 -0.02 0.00 0.00 39.34 39.54 1i1k n TYR 164 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1i1k h LEU 165 N 0.00 0.44 -0.01 7.72 3.38 -1.76 -0.68 115.31 124.39 1i1k h LEU 165 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1i1k h LEU 165 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1i1k h LEU 165 CO 0.00 0.57 -0.00 -1.28 0.09 0.00 0.00 178.44 177.81 1i1k h SER 166 N 0.43 0.03 0.09 -0.43 0.87 -1.70 -2.15 113.55 110.69 1i1k h SER 166 Ca 0.09 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1i1k h SER 166 Cb 0.41 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1i1k h SER 166 CO 0.02 0.41 -0.09 0.28 -0.53 0.00 0.00 176.83 176.92 1i1k h SER 167 N -0.35 0.00 -0.15 6.23 0.02 -1.60 -1.25 113.55 116.45 1i1k h SER 167 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1i1k h SER 167 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1i1k h SER 167 CO 0.00 0.09 -0.12 0.25 -1.14 0.00 0.00 176.83 175.91 1i1k h LEU 168 N 0.00 0.37 -0.17 5.07 5.85 -0.99 -0.25 115.31 125.19 1i1k h LEU 168 Ca -0.00 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1i1k h LEU 168 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1i1k h LEU 168 CO 0.01 0.75 0.08 -0.07 -0.34 0.00 0.00 178.44 178.87 1i1k h LEU 169 N -0.01 0.22 -0.15 2.25 3.38 -0.80 -0.25 115.31 119.96 1i1k h LEU 169 Ca 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1i1k h LEU 169 Cb 0.64 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1i1k h LEU 169 CO 0.03 0.29 0.03 0.58 0.09 0.00 0.00 178.44 179.46 1i1k h VAL 170 N 0.14 1.21 -0.37 1.22 2.07 -1.29 -2.86 116.25 116.37 1i1k h VAL 170 Ca 0.06 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1i1k h VAL 170 Cb 0.13 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1i1k h VAL 170 CO -0.01 0.20 -0.13 1.23 0.02 0.00 0.00 177.57 178.88 1i1k h GLY 171 N 0.03 0.81 1.62 2.17 0.00 -1.00 -3.08 103.07 103.61 1i1k h GLY 171 Ca 0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 47.33 46.59 1i1k h GLY 171 CO 0.00 0.64 -0.22 1.48 0.00 0.00 0.00 176.54 178.44 1i1k h SER 172 N 0.54 0.45 -0.61 0.19 4.64 -1.11 -2.54 113.55 115.11 1i1k h SER 172 Ca 0.09 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1i1k h SER 172 Cb 0.66 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1i1k h SER 172 CO 0.05 0.68 0.03 -0.08 -0.87 0.00 0.00 176.83 176.63 1i1k h GLU 173 N 0.41 1.07 -0.53 4.77 4.81 -1.50 -0.98 114.58 122.63 1i1k h GLU 173 Ca 0.06 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 1i1k h GLU 173 Cb 0.61 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1i1k h GLU 173 CO 0.04 1.02 0.11 0.00 -0.73 0.00 0.00 179.01 179.45 1i1k h ALA 174 N 1.04 0.70 -0.61 2.92 0.00 -1.42 -2.84 119.26 119.04 1i1k h ALA 174 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1i1k h ALA 174 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1i1k h ALA 174 CO 0.02 0.42 0.20 0.00 0.00 0.00 0.00 179.25 179.89 1i1k h ARG 175 N 0.75 0.94 0.00 0.00 -0.00 -1.25 0.32 114.38 115.14 1i1k h ARG 175 Ca 0.16 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 1i1k h ARG 175 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 1i1k h ARG 175 CO 0.01 0.83 -0.07 -0.09 0.00 0.00 0.00 179.97 180.65 1i1k h ARG 176 N 0.86 0.00 -0.70 0.04 2.43 -1.05 -2.08 114.38 113.88 1i1k h ARG 176 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1i1k h ARG 176 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1i1k h ARG 176 CO -0.01 0.07 0.00 0.72 -1.51 0.00 0.00 179.97 179.24 1i1k n HIS 177 N -4.05 1.17 -0.56 2.20 8.25 -1.04 -4.95 115.22 116.25 1i1k n HIS 177 Ca -0.03 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1i1k n HIS 177 Cb 0.16 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1i1k n HIS 177 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i1k n GLY 178 N 1.44 0.74 3.97 -1.41 0.00 -0.78 -5.07 105.19 104.08 1i1k n GLY 178 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1i1k n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1k s TYR 179 N -2.31 3.38 -0.09 1.61 1.51 0.07 -5.00 117.35 116.52 1i1k s TYR 179 Ca 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 57.07 56.20 1i1k s TYR 179 Cb 0.00 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 40.04 1i1k s TYR 179 CO 0.00 0.26 1.15 1.96 -1.11 0.00 0.00 175.55 177.81 1i1k h GLN 180 N 1.01 0.00 -2.53 -0.62 7.50 -1.32 -3.26 115.11 115.89 1i1k h GLN 180 Ca -0.50 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.59 1i1k h GLN 180 Cb 1.23 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 28.60 1i1k h GLN 180 CO 0.59 0.51 0.11 -2.00 -1.50 0.00 0.00 178.83 176.54 1i1k s GLU 181 N -2.88 1.06 0.02 1.46 2.56 -1.22 -4.88 118.70 114.82 1i1k s GLU 181 Ca 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.97 54.92 1i1k s GLU 181 Cb 0.08 0.49 -0.04 0.00 2.00 0.00 0.00 34.13 36.67 1i1k s GLU 181 CO 0.79 -0.38 -0.03 0.20 -0.56 0.00 0.00 175.26 175.28 1i1k s GLY 182 N -1.76 1.83 -0.21 -1.50 0.00 -1.26 -2.22 107.32 102.20 1i1k s GLY 182 Ca -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 1i1k s GLY 182 CO 0.01 -0.92 -0.05 -0.42 0.00 0.00 0.00 173.10 171.73 1i1k s ILE 183 N -1.10 3.44 0.00 0.90 1.01 0.53 -1.57 121.20 124.41 1i1k s ILE 183 Ca 0.20 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 1i1k s ILE 183 Cb -0.11 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1i1k s ILE 183 CO 0.11 0.44 0.37 0.00 0.00 0.00 0.00 174.94 175.85 1i1k s ALA 184 N 1.26 3.73 0.15 9.38 0.00 0.35 -0.89 121.76 135.74 1i1k s ALA 184 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1i1k s ALA 184 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1i1k s ALA 184 CO -0.01 0.52 0.28 -0.51 0.00 0.00 0.00 175.76 176.03 1i1k s LEU 185 N -1.27 4.30 0.00 0.00 1.43 -1.26 -1.35 118.68 120.53 1i1k s LEU 185 Ca 0.25 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1i1k s LEU 185 Cb -0.15 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.27 1i1k s LEU 185 CO 0.13 0.05 0.46 -0.90 0.23 0.00 0.00 176.35 176.32 1i1k n ASP 186 N -0.56 -0.01 0.14 2.29 5.68 0.67 -1.69 116.55 123.07 1i1k n ASP 186 Ca -0.07 -1.15 0.12 0.00 -0.50 0.00 0.00 54.79 53.19 1i1k n ASP 186 Cb 0.54 -0.35 0.51 0.00 -1.14 0.00 0.00 41.12 40.68 1i1k n ASP 186 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1i1k n VAL 187 N -2.66 0.84 0.58 2.12 0.24 -1.26 -2.26 118.33 115.94 1i1k n VAL 187 Ca 0.06 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.75 1i1k n VAL 187 Cb 0.20 -1.23 0.16 0.00 -1.47 0.00 0.00 33.84 31.50 1i1k n VAL 187 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1i1k n ASN 188 N -2.28 0.69 0.00 -1.34 3.02 -1.26 -4.94 115.26 109.14 1i1k n ASN 188 Ca 0.02 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1i1k n ASN 188 Cb 0.21 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1i1k n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1k n GLY 189 N 1.34 0.92 3.97 7.41 0.00 -0.96 -5.09 105.19 112.78 1i1k n GLY 189 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1i1k n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1k s TYR 190 N -2.00 3.45 0.16 1.61 4.12 -1.26 -4.34 117.35 119.10 1i1k s TYR 190 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 57.07 56.79 1i1k s TYR 190 Cb 0.00 -1.59 -0.09 0.00 -1.52 0.00 0.00 41.96 38.76 1i1k s TYR 190 CO 0.00 0.42 1.45 0.42 0.02 0.00 0.00 175.55 177.86 1i1k s ILE 191 N -1.99 2.97 0.00 2.71 1.01 -0.36 -0.24 121.20 125.29 1i1k s ILE 191 Ca 0.34 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1i1k s ILE 191 Cb -0.09 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1i1k s ILE 191 CO 0.29 0.07 0.00 -0.24 0.00 0.00 0.00 174.94 175.07 1i1k n SER 192 N 3.54 0.00 -3.51 3.58 2.88 -0.46 -4.65 113.62 115.00 1i1k n SER 192 Ca 0.11 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1i1k n SER 192 Cb 0.41 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1i1k n SER 192 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1i1k n GLU 193 N -2.38 0.14 -1.48 -1.46 0.28 -1.13 -4.64 120.64 109.97 1i1k n GLU 193 Ca 0.00 -0.64 -0.28 0.00 -0.16 0.00 0.00 57.16 56.07 1i1k n GLU 193 Cb 0.00 1.09 0.21 0.00 1.43 0.00 0.00 31.44 34.17 1i1k n GLU 193 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i1k n GLY 194 N -0.82 -2.01 0.34 -1.84 0.00 0.54 -0.50 105.19 100.90 1i1k n GLY 194 Ca 0.04 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.50 1i1k n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1k h ALA 195 N -2.17 1.37 0.00 4.61 0.00 -1.63 -3.31 119.26 118.12 1i1k h ALA 195 Ca -0.40 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1i1k h ALA 195 Cb 1.16 -0.16 -0.24 0.00 0.00 0.00 0.00 17.79 18.56 1i1k h ALA 195 CO 0.28 0.14 -0.71 0.41 0.00 0.00 0.00 179.25 179.37 1i1k n GLY 196 N -1.33 0.80 3.27 0.00 0.00 -1.26 -4.45 105.19 102.22 1i1k n GLY 196 Ca 0.17 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1i1k n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i1k s GLU 197 N 0.00 0.56 0.71 1.61 1.03 -1.25 -4.89 118.70 116.48 1i1k s GLU 197 Ca 0.18 0.25 -0.13 0.00 0.03 0.00 0.00 54.97 55.30 1i1k s GLU 197 Cb 0.21 0.26 0.03 0.00 -0.80 0.00 0.00 34.13 33.83 1i1k s GLU 197 CO -0.09 -0.12 1.11 -0.80 -1.33 0.00 0.00 175.26 174.04 1i1k s ASN 198 N -0.44 4.73 -0.06 0.83 0.01 -0.32 -0.34 114.94 119.36 1i1k s ASN 198 Ca -0.06 1.97 0.04 0.00 -0.71 0.00 0.00 52.86 54.11 1i1k s ASN 198 Cb -0.04 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1i1k s ASN 198 CO 0.02 -1.89 -0.19 -0.22 -1.51 0.00 0.00 177.10 173.32 1i1k s LEU 199 N -5.33 2.46 0.10 0.60 1.98 -1.26 -1.20 118.68 116.02 1i1k s LEU 199 Ca 0.65 -0.33 0.07 0.00 -2.89 0.00 0.00 54.13 51.63 1i1k s LEU 199 Cb -0.20 -1.48 -0.03 0.00 0.66 0.00 0.00 46.19 45.13 1i1k s LEU 199 CO 0.47 0.29 -0.18 -0.36 -1.89 0.00 0.00 176.35 174.69 1i1k s PHE 200 N -0.44 1.60 0.04 5.38 0.40 -0.08 -4.26 117.98 120.61 1i1k s PHE 200 Ca 0.05 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1i1k s PHE 200 Cb -0.12 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1i1k s PHE 200 CO 0.02 0.17 -0.10 -1.21 0.70 0.00 0.00 175.22 174.80 1i1k s GLU 201 N -1.97 0.63 -0.12 0.44 2.02 -0.04 -1.82 118.70 117.84 1i1k s GLU 201 Ca 0.05 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.35 1i1k s GLU 201 Cb -0.09 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.64 1i1k s GLU 201 CO 0.04 0.11 -0.15 0.08 0.02 0.00 0.00 175.26 175.36 1i1k s VAL 202 N -1.08 1.51 0.00 2.63 1.01 0.54 0.04 120.40 125.05 1i1k s VAL 202 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1i1k s VAL 202 Cb -0.08 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1i1k s VAL 202 CO 0.01 0.44 0.00 1.17 0.00 0.00 0.00 175.10 176.72 1i1k n LYS 203 N 4.33 0.00 -2.36 2.72 3.00 -0.61 -0.46 118.16 124.78 1i1k n LYS 203 Ca -0.18 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.71 1i1k n LYS 203 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1i1k n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1i1k n ASP 204 N 0.00 6.85 0.00 3.14 8.00 -1.26 -4.49 116.55 128.79 1i1k n ASP 204 Ca 0.00 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1i1k n ASP 204 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1i1k n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1k n GLY 205 N 1.63 0.44 3.61 0.44 0.00 -1.26 -5.00 105.19 105.05 1i1k n GLY 205 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1i1k n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1k s VAL 206 N -2.04 4.04 -0.17 1.61 1.01 -1.26 -4.46 120.40 119.13 1i1k s VAL 206 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1i1k s VAL 206 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1i1k s VAL 206 CO 0.00 0.57 0.36 -0.22 0.00 0.00 0.00 175.10 175.81 1i1k s LEU 207 N -0.54 4.22 0.05 3.92 2.96 -0.33 -1.57 118.68 127.39 1i1k s LEU 207 Ca 0.09 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.64 1i1k s LEU 207 Cb -0.12 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1i1k s LEU 207 CO 0.02 0.03 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.47 1i1k s PHE 208 N 0.77 2.36 -0.14 5.38 0.40 0.11 -0.27 117.98 126.59 1i1k s PHE 208 Ca 0.19 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1i1k s PHE 208 Cb -0.14 -1.39 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1i1k s PHE 208 CO 0.06 0.17 0.50 0.99 0.70 0.00 0.00 175.22 177.64 1i1k s THR 209 N -0.85 0.01 0.51 0.64 2.01 -0.94 -0.86 115.64 116.16 1i1k s THR 209 Ca 0.12 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1i1k s THR 209 Cb -0.10 -0.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.61 1i1k s THR 209 CO 0.03 -0.05 1.13 -2.84 -0.69 0.00 0.00 174.62 172.20 1i1k s PRO 210 N -0.23 3.54 0.89 4.92 0.02 -1.25 -1.31 135.00 141.58 1i1k s PRO 210 Ca -0.04 1.64 -0.13 0.00 0.02 0.00 0.00 61.00 62.49 1i1k s PRO 210 Cb -0.03 -2.15 0.13 0.00 0.02 0.00 0.00 34.50 32.46 1i1k s PRO 210 CO 0.03 -0.70 1.17 -2.14 -0.33 0.00 0.00 177.00 175.03 1i1k s PRO 211 N -3.07 1.29 0.48 5.54 0.02 -1.26 -4.80 135.00 133.20 1i1k s PRO 211 Ca 0.69 0.13 0.21 0.00 0.02 0.00 0.00 61.00 62.05 1i1k s PRO 211 Cb -0.25 -1.87 1.23 0.00 0.02 0.00 0.00 34.50 33.63 1i1k s PRO 211 CO 0.29 -2.07 2.03 0.74 -0.33 0.00 0.00 177.00 177.67 1i1k h PHE 212 N -1.40 0.00 0.00 6.54 0.04 -1.96 -2.15 116.94 118.01 1i1k h PHE 212 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1i1k h PHE 212 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1i1k h PHE 212 CO 0.03 0.15 0.00 0.25 -0.60 0.00 0.00 178.31 178.14 1i1k n THR 213 N -3.99 0.38 -0.75 -1.55 -2.24 -1.26 -1.48 114.28 103.39 1i1k n THR 213 Ca -0.02 0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 1i1k n THR 213 Cb 0.24 -0.85 0.26 0.00 -2.10 0.00 0.00 70.33 67.88 1i1k n THR 213 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1i1k n SER 214 N -1.19 4.41 -1.84 3.42 7.64 -0.81 -4.86 113.62 120.39 1i1k n SER 214 Ca 0.09 -3.06 -0.16 0.00 1.01 0.00 0.00 58.87 56.74 1i1k n SER 214 Cb 0.10 -0.72 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 1i1k n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i1k n SER 215 N -0.13 -4.88 -4.68 6.43 7.64 -0.55 -4.34 113.62 113.11 1i1k n SER 215 Ca 0.36 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.89 1i1k n SER 215 Cb 1.27 -3.98 -0.09 0.00 -1.01 0.00 0.00 64.21 60.40 1i1k n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i1k s ALA 216 N -2.81 3.61 0.26 -0.43 0.00 -1.00 -4.87 121.76 116.52 1i1k s ALA 216 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1i1k s ALA 216 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.66 1i1k s ALA 216 CO 0.00 -0.11 1.35 -1.17 0.00 0.00 0.00 175.76 175.82 1i1k s LEU 217 N 0.91 4.41 -0.99 0.00 0.20 -1.26 -4.40 118.68 117.55 1i1k s LEU 217 Ca 0.11 2.59 -0.26 0.00 0.69 0.00 0.00 54.13 57.26 1i1k s LEU 217 Cb -0.13 -3.63 -0.20 0.00 -0.43 0.00 0.00 46.19 41.80 1i1k s LEU 217 CO 0.04 -0.58 1.99 -2.65 -0.29 0.00 0.00 176.35 174.86 1i1k n PRO 218 N 1.87 0.70 -1.87 0.98 -0.02 -1.26 -4.93 135.00 130.47 1i1k n PRO 218 Ca 0.04 -1.91 -0.41 0.00 -2.02 0.00 0.00 63.50 59.20 1i1k n PRO 218 Cb 0.42 -3.67 -0.01 0.00 -0.02 0.00 0.00 33.50 30.22 1i1k n PRO 218 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1i1k s GLY 219 N 7.45 2.88 0.23 -1.23 0.00 -1.26 -4.92 107.32 110.46 1i1k s GLY 219 Ca 0.74 1.50 0.12 0.00 0.00 0.00 0.00 44.72 47.09 1i1k s GLY 219 CO 0.18 2.21 1.40 -2.22 0.00 0.00 0.00 173.10 174.67 1i1k h ILE 220 N 3.03 1.17 0.04 0.90 2.04 -1.98 -1.76 117.51 120.95 1i1k h ILE 220 Ca -0.50 -2.61 -0.26 0.00 1.00 0.00 0.00 64.86 62.49 1i1k h ILE 220 Cb 1.23 2.55 0.02 0.00 -0.74 0.00 0.00 36.82 39.88 1i1k h ILE 220 CO 0.66 0.66 -1.07 0.74 0.00 0.00 0.00 178.15 179.13 1i1k h THR 221 N 0.00 1.34 -0.31 -0.27 2.02 -1.91 -2.33 112.91 111.45 1i1k h THR 221 Ca -0.01 -2.43 0.03 0.00 0.77 0.00 0.00 66.41 64.77 1i1k h THR 221 Cb 1.49 2.51 -0.03 0.00 -1.74 0.00 0.00 68.15 70.39 1i1k h THR 221 CO 0.09 0.74 0.14 -0.09 0.37 0.00 0.00 175.52 176.76 1i1k h ARG 222 N 0.29 0.29 -0.62 6.66 2.43 -1.86 -0.70 114.38 120.86 1i1k h ARG 222 Ca -0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1i1k h ARG 222 Cb 1.73 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 1i1k h ARG 222 CO 0.20 0.19 0.32 0.22 -1.51 0.00 0.00 179.97 179.39 1i1k h ASP 223 N 0.29 0.79 -0.72 -3.80 3.58 -1.31 -2.08 116.42 113.17 1i1k h ASP 223 Ca 0.13 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1i1k h ASP 223 Cb 0.07 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1i1k h ASP 223 CO -0.11 0.67 0.37 0.00 -2.88 0.00 0.00 179.24 177.30 1i1k h ALA 224 N 1.15 0.93 -0.69 -0.78 0.00 -0.89 -1.87 119.26 117.11 1i1k h ALA 224 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i1k h ALA 224 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1i1k h ALA 224 CO -0.03 0.47 0.33 0.82 0.00 0.00 0.00 179.25 180.84 1i1k h ILE 225 N 1.00 1.23 -0.76 0.00 2.04 -0.87 -0.06 117.51 120.09 1i1k h ILE 225 Ca 0.25 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1i1k h ILE 225 Cb 0.07 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1i1k h ILE 225 CO -0.04 0.27 0.27 0.40 0.00 0.00 0.00 178.15 179.05 1i1k h ILE 226 N 0.96 1.26 -0.06 -0.67 2.04 -0.99 0.74 117.51 120.79 1i1k h ILE 226 Ca 0.24 -0.86 -0.17 0.00 1.00 0.00 0.00 64.86 65.07 1i1k h ILE 226 Cb 0.12 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1i1k h ILE 226 CO -0.03 0.34 -0.72 0.11 0.00 0.00 0.00 178.15 177.86 1i1k h LYS 227 N 1.12 0.30 -0.24 2.37 1.57 -0.99 -2.55 116.57 118.14 1i1k h LYS 227 Ca 0.25 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1i1k h LYS 227 Cb 0.26 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1i1k h LYS 227 CO -0.02 0.89 -0.60 -0.07 -0.57 0.00 0.00 179.45 179.09 1i1k h LEU 228 N 0.20 0.90 -0.77 2.94 3.38 -0.74 -2.53 115.31 118.68 1i1k h LEU 228 Ca -0.02 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1i1k h LEU 228 Cb 1.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1i1k h LEU 228 CO 0.12 1.29 0.49 0.00 0.09 0.00 0.00 178.44 180.42 1i1k h ALA 229 N 0.72 0.99 -0.28 1.53 0.00 -0.81 -1.40 119.26 120.00 1i1k h ALA 229 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1i1k h ALA 229 Cb 1.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1i1k h ALA 229 CO 0.13 0.43 -0.20 0.87 0.00 0.00 0.00 179.25 180.47 1i1k h LYS 230 N 1.06 0.51 -0.08 0.00 1.57 -1.38 0.53 116.57 118.79 1i1k h LYS 230 Ca 0.28 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1i1k h LYS 230 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1i1k h LYS 230 CO -0.06 0.69 -0.37 0.93 -0.57 0.00 0.00 179.45 180.07 1i1k h GLU 231 N 0.46 0.16 -0.00 3.15 4.39 -0.95 -2.15 114.58 119.63 1i1k h GLU 231 Ca 0.07 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1i1k h GLU 231 Cb 0.61 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1i1k h GLU 231 CO 0.04 0.51 -0.04 1.28 -1.16 0.00 0.00 179.01 179.64 1i1k n LEU 232 N -4.07 0.26 0.00 1.33 4.77 -0.59 -4.91 117.00 113.80 1i1k n LEU 232 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1i1k n LEU 232 Cb 0.44 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1i1k n LEU 232 CO 0.40 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1i1k n GLY 233 N 1.22 0.51 3.76 -0.72 0.00 -0.81 -5.04 105.19 104.11 1i1k n GLY 233 Ca 0.17 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1i1k n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1k s ILE 234 N -2.00 5.03 0.12 -0.61 1.01 0.13 -5.00 121.20 119.88 1i1k s ILE 234 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1i1k s ILE 234 Cb 0.00 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 1i1k s ILE 234 CO 0.00 0.40 1.14 -0.70 0.00 0.00 0.00 174.94 175.78 1i1k s GLU 235 N -0.01 4.52 -0.13 2.79 2.12 -1.26 -4.07 118.70 122.66 1i1k s GLU 235 Ca 0.28 1.73 0.01 0.00 0.36 0.00 0.00 54.97 57.35 1i1k s GLU 235 Cb -0.17 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1i1k s GLU 235 CO 0.14 -0.08 -0.17 0.08 -0.54 0.00 0.00 175.26 174.69 1i1k s VAL 236 N 0.39 2.60 -0.23 3.70 1.01 -1.26 -1.18 120.40 125.42 1i1k s VAL 236 Ca 0.53 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1i1k s VAL 236 Cb -0.29 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.07 1i1k s VAL 236 CO 0.32 0.53 -0.14 -0.13 0.00 0.00 0.00 175.10 175.68 1i1k s ARG 237 N 0.55 2.48 -0.57 2.72 0.52 0.62 -4.99 118.95 120.28 1i1k s ARG 237 Ca -0.11 -1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 53.77 1i1k s ARG 237 Cb -0.16 -2.75 0.08 0.00 0.52 0.00 0.00 34.95 32.65 1i1k s ARG 237 CO 0.04 -0.44 0.72 -2.00 0.02 0.00 0.00 175.30 173.65 1i1k s GLU 238 N 1.19 3.09 0.13 3.54 2.12 -1.26 -2.20 118.70 125.30 1i1k s GLU 238 Ca -0.04 -1.09 -0.13 0.00 0.36 0.00 0.00 54.97 54.07 1i1k s GLU 238 Cb -0.17 -4.21 0.02 0.00 0.26 0.00 0.00 34.13 30.03 1i1k s GLU 238 CO -0.08 -1.48 0.34 1.14 -0.54 0.00 0.00 175.26 174.63 1i1k s GLN 239 N 2.90 1.07 0.29 4.30 -2.07 -0.43 -4.79 119.66 120.93 1i1k s GLN 239 Ca 0.15 -0.89 -0.29 0.00 -1.82 0.00 0.00 55.36 52.50 1i1k s GLN 239 Cb -0.21 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 32.03 1i1k s GLN 239 CO 0.09 -0.40 1.41 0.08 -1.32 0.00 0.00 175.29 175.15 1i1k s VAL 240 N -3.86 2.56 -0.03 3.63 1.01 -1.26 -3.81 120.40 118.64 1i1k s VAL 240 Ca 0.07 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.63 1i1k s VAL 240 Cb 0.03 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1i1k s VAL 240 CO -0.08 0.10 -0.24 -0.76 0.00 0.00 0.00 175.10 174.12 1i1k s LEU 241 N -1.07 2.04 0.64 3.92 1.43 -1.26 -5.03 118.68 119.35 1i1k s LEU 241 Ca 0.55 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1i1k s LEU 241 Cb -0.42 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1i1k s LEU 241 CO 0.49 0.27 1.04 -0.94 0.23 0.00 0.00 176.35 177.45 1i1k s SER 242 N -0.43 5.98 0.20 2.29 1.04 -1.26 -1.23 113.70 120.29 1i1k s SER 242 Ca 0.05 1.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 1i1k s SER 242 Cb -0.11 -2.28 0.12 0.00 0.10 0.00 0.00 66.02 63.85 1i1k s SER 242 CO 0.00 -1.01 1.73 -0.09 0.98 0.00 0.00 173.24 174.86 1i1k h ARG 243 N -0.40 1.11 -0.12 4.02 2.43 -1.93 -2.83 114.38 116.65 1i1k h ARG 243 Ca -0.44 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 58.52 1i1k h ARG 243 Cb 1.21 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1i1k h ARG 243 CO 0.63 0.95 0.09 0.93 -1.51 0.00 0.00 179.97 181.05 1i1k h GLU 244 N 1.05 0.00 -0.24 0.20 3.07 -1.95 -2.30 114.58 114.41 1i1k h GLU 244 Ca 0.23 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.16 1i1k h GLU 244 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1i1k h GLU 244 CO -0.01 0.00 0.29 0.66 -1.40 0.00 0.00 179.01 178.55 1i1k h SER 245 N 0.00 0.00 0.28 1.42 4.64 -1.89 0.71 113.55 118.71 1i1k h SER 245 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1i1k h SER 245 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1i1k h SER 245 CO -0.00 0.00 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.54 1i1k h LEU 246 N 0.00 0.11 0.00 5.97 3.38 -1.59 -0.62 115.31 122.56 1i1k h LEU 246 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i1k h LEU 246 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1i1k h LEU 246 CO -0.00 0.46 -0.60 1.88 0.09 0.00 0.00 178.44 180.26 1i1k h TYR 247 N 0.10 0.00 0.00 1.13 0.99 -1.05 -3.33 116.97 114.80 1i1k h TYR 247 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1i1k h TYR 247 Cb 0.67 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.40 1i1k h TYR 247 CO 0.01 0.00 -1.57 1.28 -0.00 0.00 0.00 178.16 177.88 1i1k n LEU 248 N -2.47 0.39 -4.76 3.88 4.77 -1.07 -4.94 117.00 112.80 1i1k n LEU 248 Ca 0.02 -0.13 -0.37 0.00 -0.03 0.00 0.00 56.01 55.50 1i1k n LEU 248 Cb 0.49 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1i1k n LEU 248 CO 0.37 0.07 0.87 0.00 -1.33 0.00 0.00 177.39 177.37 1i1k s ALA 249 N -3.33 2.73 0.09 -1.18 0.00 -0.26 -4.95 121.76 114.86 1i1k s ALA 249 Ca -0.02 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 1i1k s ALA 249 Cb 0.14 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.56 1i1k s ALA 249 CO 0.88 -1.07 1.20 -0.44 0.00 0.00 0.00 175.76 176.33 1i1k h ASP 250 N 1.35 0.27 -5.05 0.00 3.32 -1.00 -3.37 116.42 111.95 1i1k h ASP 250 Ca -0.50 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.14 1i1k h ASP 250 Cb 1.28 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.57 1i1k h ASP 250 CO 0.57 1.22 -0.37 -1.61 -1.72 0.00 0.00 179.24 177.33 1i1k s GLU 251 N -2.70 0.68 -0.11 3.56 2.02 -0.86 -4.14 118.70 117.15 1i1k s GLU 251 Ca -0.02 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 1i1k s GLU 251 Cb 0.08 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.64 1i1k s GLU 251 CO 0.86 -0.20 0.27 0.08 0.02 0.00 0.00 175.26 176.29 1i1k s VAL 252 N -2.32 -0.02 0.05 2.63 1.01 -1.26 -0.34 120.40 120.16 1i1k s VAL 252 Ca -0.07 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 1i1k s VAL 252 Cb -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.98 1i1k s VAL 252 CO -0.02 0.02 0.32 0.72 0.00 0.00 0.00 175.10 176.14 1i1k s PHE 253 N 0.65 -0.13 0.17 5.22 -0.71 -0.76 -0.45 117.98 121.97 1i1k s PHE 253 Ca -0.04 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.88 1i1k s PHE 253 Cb -0.05 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1i1k s PHE 253 CO -0.04 -0.53 0.19 -1.64 -1.34 0.00 0.00 175.22 171.86 1i1k s MET 254 N -2.66 3.06 0.00 1.99 -1.94 0.39 -0.91 119.30 119.23 1i1k s MET 254 Ca -0.04 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 1i1k s MET 254 Cb -0.00 -2.73 -0.00 0.00 2.01 0.00 0.00 34.83 34.10 1i1k s MET 254 CO -0.04 0.48 -0.01 -1.54 -0.01 0.00 0.00 175.02 173.90 1i1k s SER 255 N -3.24 0.10 -0.11 3.03 1.04 -0.34 -1.22 113.70 112.95 1i1k s SER 255 Ca 0.32 -0.08 -0.33 0.00 0.48 0.00 0.00 55.95 56.34 1i1k s SER 255 Cb -0.10 0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.16 1i1k s SER 255 CO 0.25 -0.04 1.27 -0.83 0.98 0.00 0.00 173.24 174.87 1i1k s GLY 256 N -0.22 -0.35 0.11 7.32 0.00 -0.84 -1.17 107.32 112.16 1i1k s GLY 256 Ca -0.02 1.16 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 1i1k s GLY 256 CO -0.00 0.33 1.68 -0.84 0.00 0.00 0.00 173.10 174.26 1i1k h THR 257 N 2.00 1.15 -0.07 0.90 2.02 -1.89 0.74 112.91 117.76 1i1k h THR 257 Ca -0.20 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.37 1i1k h THR 257 Cb 1.18 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1i1k h THR 257 CO 0.25 0.15 -0.68 0.00 0.37 0.00 0.00 175.52 175.62 1i1k h ALA 258 N 0.98 0.17 0.00 6.16 0.00 -1.96 -3.30 119.26 121.31 1i1k h ALA 258 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i1k h ALA 258 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i1k h ALA 258 CO -0.01 0.48 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1i1k h ALA 259 N 0.44 0.89 -0.79 0.00 0.00 -1.93 -3.49 119.26 114.37 1i1k h ALA 259 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1i1k h ALA 259 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i1k h ALA 259 CO 0.14 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.78 1i1k n GLU 260 N -2.54 0.00 -3.91 0.00 1.02 0.26 -3.71 120.64 111.75 1i1k n GLU 260 Ca 0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.88 1i1k n GLU 260 Cb 0.47 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.74 1i1k n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i1k s ILE 261 N 0.00 1.75 -0.34 -3.67 1.01 -1.26 -1.99 121.20 116.71 1i1k s ILE 261 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 60.65 58.57 1i1k s ILE 261 Cb 0.00 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1i1k s ILE 261 CO 0.00 -0.63 0.15 -0.89 0.00 0.00 0.00 174.94 173.57 1i1k s THR 262 N 1.17 4.34 0.51 2.92 2.01 -0.35 -4.92 115.64 121.31 1i1k s THR 262 Ca 0.11 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1i1k s THR 262 Cb -0.18 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1i1k s THR 262 CO -0.14 -0.09 1.19 -2.16 -0.69 0.00 0.00 174.62 172.72 1i1k s PRO 263 N 1.53 3.49 -0.24 4.92 0.04 -1.26 -0.47 135.00 143.02 1i1k s PRO 263 Ca 0.02 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1i1k s PRO 263 Cb -0.18 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1i1k s PRO 263 CO 0.05 -0.78 -0.06 0.08 0.04 0.00 0.00 177.00 176.34 1i1k s VAL 264 N -1.57 3.00 -0.83 -0.36 1.01 0.41 -0.93 120.40 121.12 1i1k s VAL 264 Ca 0.68 -0.89 0.24 0.00 0.00 0.00 0.00 61.98 62.01 1i1k s VAL 264 Cb -0.29 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1i1k s VAL 264 CO 0.34 0.25 1.31 -2.11 0.00 0.00 0.00 175.10 174.89 1i1k n ARG 265 N 4.70 0.13 -3.56 2.72 1.85 -0.16 -4.29 116.66 118.05 1i1k n ARG 265 Ca -0.17 0.02 -0.15 0.00 -1.00 0.00 0.00 57.85 56.55 1i1k n ARG 265 Cb 0.48 -1.57 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 1i1k n ARG 265 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1i1k s SER 266 N -3.52 -0.63 -0.10 2.89 1.04 -1.23 -0.61 113.70 111.54 1i1k s SER 266 Ca 0.08 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.40 1i1k s SER 266 Cb 0.16 0.77 0.02 0.00 0.10 0.00 0.00 66.02 67.07 1i1k s SER 266 CO 0.73 -0.46 -0.10 -0.69 0.98 0.00 0.00 173.24 173.70 1i1k s VAL 267 N -0.69 1.15 -1.53 5.02 1.01 -0.12 -1.15 120.40 124.10 1i1k s VAL 267 Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1i1k s VAL 267 Cb -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1i1k s VAL 267 CO 0.06 0.38 0.26 0.47 0.00 0.00 0.00 175.10 176.26 1i1k n ASP 268 N 4.45 -5.40 0.00 3.32 8.00 -0.02 -0.96 116.55 125.94 1i1k n ASP 268 Ca -0.17 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1i1k n ASP 268 Cb 0.51 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 1i1k n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1k n GLY 269 N -1.17 1.42 3.60 0.44 0.00 -1.26 -5.01 105.19 103.21 1i1k n GLY 269 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1i1k n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1k s ILE 270 N -3.26 5.18 0.32 -0.61 1.01 -0.13 -5.05 121.20 118.65 1i1k s ILE 270 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 1i1k s ILE 270 Cb 0.00 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 1i1k s ILE 270 CO 0.00 0.13 1.42 -1.58 0.00 0.00 0.00 174.94 174.91 1i1k s GLN 271 N 2.06 4.24 -0.57 2.79 0.74 -1.26 -0.94 119.66 126.71 1i1k s GLN 271 Ca 0.14 2.38 -0.19 0.00 0.05 0.00 0.00 55.36 57.75 1i1k s GLN 271 Cb -0.16 -3.05 0.10 0.00 1.10 0.00 0.00 33.01 31.00 1i1k s GLN 271 CO 0.10 -0.39 0.66 0.08 -0.55 0.00 0.00 175.29 175.19 1i1k s VAL 272 N -0.74 4.88 -0.06 1.34 1.01 0.22 -4.81 120.40 122.24 1i1k s VAL 272 Ca 0.54 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1i1k s VAL 272 Cb -0.43 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1i1k s VAL 272 CO 0.53 -1.03 0.09 0.61 0.00 0.00 0.00 175.10 175.30 1i1k n GLY 273 N 5.26 0.03 2.82 4.51 0.00 -1.26 -2.32 105.19 114.22 1i1k n GLY 273 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i1k n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i1k n GLU 274 N 0.61 0.00 -2.20 1.61 1.02 -1.26 -4.42 120.64 116.01 1i1k n GLU 274 Ca -0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1i1k n GLU 274 Cb 0.27 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 1i1k n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i1k n GLY 275 N -2.00 0.12 3.24 0.62 0.00 -0.98 -4.98 105.19 101.20 1i1k n GLY 275 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1i1k n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i1k s ARG 276 N -4.72 1.29 0.04 1.61 0.52 -1.26 -4.87 118.95 111.56 1i1k s ARG 276 Ca 0.00 -1.65 -0.33 0.00 -0.52 0.00 0.00 55.73 53.24 1i1k s ARG 276 Cb 0.00 0.29 -0.11 0.00 0.52 0.00 0.00 34.95 35.65 1i1k s ARG 276 CO 0.00 -0.44 1.83 0.00 0.02 0.00 0.00 175.30 176.71 1i1k s GLY 278 N 3.19 1.60 0.18 0.00 0.00 -1.26 -4.89 107.32 106.14 1i1k s GLY 278 Ca 0.87 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 1i1k s GLY 278 CO 0.44 0.06 1.77 -0.56 0.00 0.00 0.00 173.10 174.81 1i1k h PRO 279 N -1.24 0.92 -0.26 2.90 0.13 -1.96 -1.60 132.00 130.89 1i1k h PRO 279 Ca -0.48 -0.14 -0.16 0.00 -0.87 0.00 0.00 66.00 64.35 1i1k h PRO 279 Cb 1.31 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1i1k h PRO 279 CO 0.62 0.74 -0.49 0.28 -0.23 0.00 0.00 178.00 178.91 1i1k h VAL 280 N 0.88 1.29 -0.74 1.56 2.07 -2.00 -1.91 116.25 117.41 1i1k h VAL 280 Ca 0.22 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 1i1k h VAL 280 Cb 0.12 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1i1k h VAL 280 CO -0.03 0.54 0.34 0.74 0.02 0.00 0.00 177.57 179.18 1i1k h THR 281 N 0.57 1.24 0.03 2.57 2.02 -1.92 -2.04 112.91 115.39 1i1k h THR 281 Ca 0.03 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 1i1k h THR 281 Cb 1.06 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1i1k h THR 281 CO 0.10 0.29 -0.01 0.11 0.37 0.00 0.00 175.52 176.38 1i1k h LYS 282 N 1.04 -0.04 -0.71 6.66 1.79 -1.14 -0.36 116.57 123.80 1i1k h LYS 282 Ca 0.25 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.79 1i1k h LYS 282 Cb 0.15 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 1i1k h LYS 282 CO -0.03 0.01 0.40 0.00 -1.08 0.00 0.00 179.45 178.75 1i1k h ARG 283 N -0.07 0.69 -0.40 3.15 3.08 -1.08 -0.58 114.38 119.17 1i1k h ARG 283 Ca -0.00 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1i1k h ARG 283 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1i1k h ARG 283 CO 0.01 0.46 -0.23 0.82 -1.07 0.00 0.00 179.97 179.95 1i1k h ILE 284 N 0.71 1.27 -0.16 2.04 2.04 -1.17 -1.89 117.51 120.36 1i1k h ILE 284 Ca 0.33 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1i1k h ILE 284 Cb 0.24 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1i1k h ILE 284 CO -0.21 0.45 0.06 1.56 0.00 0.00 0.00 178.15 180.01 1i1k h GLN 285 N 0.69 0.23 -0.41 2.37 4.20 -0.41 -0.38 115.11 121.41 1i1k h GLN 285 Ca 0.09 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1i1k h GLN 285 Cb 0.75 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1i1k h GLN 285 CO 0.06 0.33 0.19 1.96 -0.67 0.00 0.00 178.83 180.70 1i1k h GLN 286 N 0.09 0.38 -0.65 1.46 4.20 -1.05 0.12 115.11 119.66 1i1k h GLN 286 Ca 0.05 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1i1k h GLN 286 Cb 0.18 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1i1k h GLN 286 CO -0.00 0.25 0.19 0.00 -0.67 0.00 0.00 178.83 178.59 1i1k h ALA 287 N 1.23 1.09 0.50 3.87 0.00 -1.20 0.92 119.26 125.68 1i1k h ALA 287 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i1k h ALA 287 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1i1k h ALA 287 CO -0.14 0.61 -0.24 0.35 0.00 0.00 0.00 179.25 179.84 1i1k h PHE 288 N 0.97 -0.62 0.00 0.00 3.57 -0.35 -3.07 116.94 117.43 1i1k h PHE 288 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1i1k h PHE 288 Cb 0.30 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1i1k h PHE 288 CO 0.02 -0.30 -0.06 0.74 -2.23 0.00 0.00 178.31 176.48 1i1k h PHE 289 N -0.92 0.00 0.00 0.41 0.04 -0.98 -2.51 116.94 112.98 1i1k h PHE 289 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1i1k h PHE 289 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1i1k h PHE 289 CO 0.00 0.06 0.00 0.78 -0.60 0.00 0.00 178.31 178.56 1i1k h GLY 290 N 1.50 0.00 1.83 -1.45 0.00 -0.71 -2.33 103.07 101.91 1i1k h GLY 290 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1i1k h GLY 290 CO 0.01 0.00 -0.15 1.41 0.00 0.00 0.00 176.54 177.81 1i1k h LEU 291 N 0.00 0.20 -1.32 3.11 3.38 -1.48 -1.17 115.31 118.03 1i1k h LEU 291 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i1k h LEU 291 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i1k h LEU 291 CO 0.00 0.37 0.00 0.49 0.09 0.00 0.00 178.44 179.39 1i1k n PHE 292 N -4.27 0.11 -0.00 1.13 3.01 -0.88 -3.80 117.46 112.77 1i1k n PHE 292 Ca -0.01 -0.05 0.05 0.00 1.01 0.00 0.00 57.45 58.44 1i1k n PHE 292 Cb 0.28 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.68 1i1k n PHE 292 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1i1k n THR 293 N 0.57 0.00 0.00 4.37 -1.04 -0.97 -1.83 114.28 115.37 1i1k n THR 293 Ca 0.17 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1i1k n THR 293 Cb 0.42 0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 1i1k n THR 293 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i1k n GLY 294 N 1.99 1.04 0.33 3.41 0.00 -0.54 -4.78 105.19 106.64 1i1k n GLY 294 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1i1k n GLY 294 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i1k h GLU 295 N 3.64 1.16 -4.99 1.61 5.08 -1.70 -3.38 114.58 116.00 1i1k h GLU 295 Ca 0.00 -0.13 -0.64 0.00 -1.00 0.00 0.00 59.36 57.59 1i1k h GLU 295 Cb 0.00 -0.23 -0.16 0.00 0.50 0.00 0.00 28.75 28.86 1i1k h GLU 295 CO 0.00 0.84 -0.37 0.99 -1.00 0.00 0.00 179.01 179.47 1i1k s THR 296 N -5.86 5.23 0.15 1.13 2.01 -0.64 -4.98 115.64 112.68 1i1k s THR 296 Ca -0.13 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.82 1i1k s THR 296 Cb 0.16 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1i1k s THR 296 CO 0.81 0.13 1.46 -0.70 -0.69 0.00 0.00 174.62 175.64 1i1k s GLU 297 N 1.92 4.27 -1.28 4.92 2.12 -1.26 -4.32 118.70 125.07 1i1k s GLU 297 Ca 0.11 2.21 -0.17 0.00 0.36 0.00 0.00 54.97 57.48 1i1k s GLU 297 Cb -0.16 -3.20 0.09 0.00 0.26 0.00 0.00 34.13 31.12 1i1k s GLU 297 CO 0.11 -0.50 1.68 -3.47 -0.54 0.00 0.00 175.26 172.54 1i1k n ASP 298 N 3.79 4.99 0.23 -1.70 2.03 -1.26 -4.78 116.55 119.85 1i1k n ASP 298 Ca 0.12 -2.93 0.09 0.00 0.52 0.00 0.00 54.79 52.58 1i1k n ASP 298 Cb 0.41 -1.71 0.53 0.00 -0.72 0.00 0.00 41.12 39.62 1i1k n ASP 298 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1i1k h LYS 299 N 7.47 0.00 0.00 -0.67 1.57 -2.03 -3.26 116.57 119.65 1i1k h LYS 299 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1i1k h LYS 299 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1i1k h LYS 299 CO 1.42 0.24 -1.13 0.91 -0.57 0.00 0.00 179.45 180.32 1i1k n TRP 300 N -3.67 0.18 -2.30 -1.35 8.01 -1.26 -4.99 117.44 112.06 1i1k n TRP 300 Ca -0.01 0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 1i1k n TRP 300 Cb 0.36 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 1i1k n TRP 300 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i1k n GLY 301 N 1.38 0.76 0.18 6.99 0.00 -1.23 -4.97 105.19 108.30 1i1k n GLY 301 Ca 0.02 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1i1k n GLY 301 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1i1k h TRP 302 N 0.00 0.00 -3.61 1.61 6.55 -1.94 -3.44 115.95 115.11 1i1k h TRP 302 Ca 0.00 0.00 -0.67 0.00 0.95 0.00 0.00 58.89 59.17 1i1k h TRP 302 Cb 1.00 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.12 1i1k h TRP 302 CO 0.00 0.00 -0.23 -0.51 -1.05 0.00 0.00 178.44 176.65 1i1k s LEU 303 N -5.82 4.57 -0.31 -4.49 1.43 -1.26 0.29 118.68 113.08 1i1k s LEU 303 Ca 0.05 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 1i1k s LEU 303 Cb 0.07 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1i1k s LEU 303 CO 0.71 -0.44 0.15 -0.62 0.23 0.00 0.00 176.35 176.38 1i1k s ASP 304 N 1.76 5.54 0.27 2.29 2.15 -0.86 -4.95 116.67 122.87 1i1k s ASP 304 Ca 0.13 -0.56 -0.29 0.00 0.43 0.00 0.00 52.55 52.25 1i1k s ASP 304 Cb -0.17 -2.00 -0.10 0.00 -0.30 0.00 0.00 42.92 40.36 1i1k s ASP 304 CO 0.13 -0.21 1.34 -1.10 -0.17 0.00 0.00 175.17 175.16 1i1k s GLN 305 N 1.60 4.35 -0.02 4.34 -0.21 -1.26 -0.60 119.66 127.86 1i1k s GLN 305 Ca 0.04 2.18 -0.25 0.00 0.02 0.00 0.00 55.36 57.36 1i1k s GLN 305 Cb -0.17 -3.12 -0.20 0.00 1.00 0.00 0.00 33.01 30.52 1i1k s GLN 305 CO 0.06 -0.26 1.22 0.28 -2.12 0.00 0.00 175.29 174.47 1i1k h VAL 306 N 3.38 1.43 -1.96 1.09 2.07 -1.89 -3.41 116.25 116.95 1i1k h VAL 306 Ca -0.47 -1.34 -0.53 0.00 0.82 0.00 0.00 66.70 65.17 1i1k h VAL 306 Cb 1.22 2.26 -0.08 0.00 -1.52 0.00 0.00 31.29 33.17 1i1k h VAL 306 CO 0.72 0.36 1.18 0.20 0.02 0.00 0.00 177.57 180.05 1i1k s ASN 307 N -5.88 6.05 0.00 0.57 0.02 -1.26 -4.95 114.94 109.49 1i1k s ASN 307 Ca -0.16 -0.56 0.00 0.00 -1.02 0.00 0.00 52.86 51.13 1i1k s ASN 307 Cb 0.02 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.73 1i1k s ASN 307 CO 0.70 -1.89 0.16 0.00 0.02 0.00 0.00 177.10 176.08