#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqa s ILE 2 N 0.00 3.39 0.00 1.39 -1.09 -0.35 -4.19 121.20 120.35 1sqa s ILE 2 Ca 0.00 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1sqa s ILE 2 Cb 0.00 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1sqa s ILE 2 CO 0.00 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.48 1sqa n GLY 3 N 2.43 2.96 7.00 6.18 0.00 -1.26 -2.65 105.19 119.86 1sqa n GLY 3 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sqa n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqa n GLY 4 N 0.00 1.25 3.19 -0.02 0.00 -1.26 -4.90 105.19 103.45 1sqa n GLY 4 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1sqa n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqa s GLU 5 N 0.00 0.49 0.79 1.61 -1.05 -0.78 -5.01 118.70 114.75 1sqa s GLU 5 Ca 0.00 0.06 -0.11 0.00 -0.15 0.00 0.00 54.97 54.77 1sqa s GLU 5 Cb 0.00 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1sqa s GLU 5 CO 0.00 -0.11 1.09 -0.06 0.95 0.00 0.00 175.26 177.13 1sqa s PHE 6 N -0.64 2.64 0.00 4.83 0.40 -1.26 -1.95 117.98 122.00 1sqa s PHE 6 Ca -0.07 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1sqa s PHE 6 Cb -0.04 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1sqa s PHE 6 CO 0.02 -1.82 0.00 -2.37 0.70 0.00 0.00 175.22 171.75 1sqa n THR 7 N -3.52 0.00 -4.14 0.64 5.66 -0.43 -4.81 114.28 107.68 1sqa n THR 7 Ca 0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.97 1sqa n THR 7 Cb 0.54 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.23 1sqa n THR 7 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1sqa s THR 8 N -2.74 0.04 0.09 1.09 -4.23 -1.26 -4.25 115.64 104.38 1sqa s THR 8 Ca 0.00 -1.86 0.32 0.00 -1.18 0.00 0.00 61.69 58.97 1sqa s THR 8 Cb 0.00 -2.27 0.37 0.00 1.34 0.00 0.00 72.50 71.94 1sqa s THR 8 CO 0.00 -0.16 1.96 -0.29 -0.54 0.00 0.00 174.62 175.58 1sqa h ILE 9 N 2.65 0.08 0.00 2.99 6.09 -1.89 -2.13 117.51 125.30 1sqa h ILE 9 Ca -0.34 -0.60 -0.02 0.00 -1.37 0.00 0.00 64.86 62.52 1sqa h ILE 9 Cb 1.23 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 40.08 1sqa h ILE 9 CO 0.53 0.03 -0.11 1.05 -3.07 0.00 0.00 178.15 176.58 1sqa h GLU 10 N 0.00 0.00 -0.00 2.19 4.11 -1.89 0.21 114.58 119.19 1sqa h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sqa h GLU 10 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sqa h GLU 10 CO 0.00 0.11 -0.38 0.09 0.07 0.00 0.00 179.01 178.90 1sqa n ASN 11 N -3.53 0.75 -3.21 3.06 5.03 -0.80 -4.38 115.26 112.18 1sqa n ASN 11 Ca -0.02 -0.56 -0.24 0.00 0.87 0.00 0.00 54.58 54.63 1sqa n ASN 11 Cb 0.24 0.19 -0.07 0.00 -1.02 0.00 0.00 39.78 39.12 1sqa n ASN 11 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sqa n GLN 12 N -1.09 0.71 0.00 3.52 3.00 0.70 -5.01 117.38 119.22 1sqa n GLN 12 Ca 0.09 -3.24 0.07 0.00 -0.01 0.00 0.00 57.00 53.90 1sqa n GLN 12 Cb 0.34 -1.26 0.31 0.00 0.00 0.00 0.00 30.24 29.63 1sqa n GLN 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1sqa n PRO 13 N 1.49 0.01 -0.01 -1.09 -0.04 -1.10 -1.53 135.00 132.73 1sqa n PRO 13 Ca 0.22 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1sqa n PRO 13 Cb 0.52 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.87 1sqa n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sqa n TRP 14 N -1.49 0.03 -2.81 0.54 2.14 -1.19 -1.36 117.44 113.30 1sqa n TRP 14 Ca 0.04 -0.01 -0.41 0.00 2.07 0.00 0.00 57.50 59.18 1sqa n TRP 14 Cb 0.17 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 1sqa n TRP 14 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1sqa s PHE 15 N -1.97 3.59 -0.10 -2.67 5.36 -0.58 -1.19 117.98 120.41 1sqa s PHE 15 Ca 0.35 1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 57.83 1sqa s PHE 15 Cb 0.21 -3.04 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 1sqa s PHE 15 CO 0.32 -0.05 -0.04 0.00 -1.46 0.00 0.00 175.22 173.99 1sqa s ALA 16 N 1.26 3.08 -0.41 11.12 0.00 -0.28 -4.49 121.76 132.04 1sqa s ALA 16 Ca 0.46 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1sqa s ALA 16 Cb -0.19 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.54 1sqa s ALA 16 CO 0.22 0.47 0.35 0.00 0.00 0.00 0.00 175.76 176.81 1sqa s ALA 17 N -0.48 3.46 -0.25 0.00 0.00 -0.49 -0.81 121.76 123.19 1sqa s ALA 17 Ca 0.08 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1sqa s ALA 17 Cb -0.12 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1sqa s ALA 17 CO 0.02 -1.48 0.02 0.42 0.00 0.00 0.00 175.76 174.75 1sqa s ILE 18 N 1.88 3.71 0.46 0.00 1.01 -0.26 -1.58 121.20 126.41 1sqa s ILE 18 Ca 0.08 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1sqa s ILE 18 Cb -0.18 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 1sqa s ILE 18 CO 0.12 0.27 0.40 -0.31 0.00 0.00 0.00 174.94 175.41 1sqa s TYR 19 N 1.50 2.36 -0.04 3.97 1.51 -0.27 -0.53 117.35 125.85 1sqa s TYR 19 Ca 0.04 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1sqa s TYR 19 Cb -0.16 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1sqa s TYR 19 CO -0.00 -0.26 0.08 0.50 -1.11 0.00 0.00 175.55 174.76 1sqa s ARG 20 N -4.19 0.02 0.15 -0.62 3.52 -0.76 -1.00 118.95 116.07 1sqa s ARG 20 Ca 0.45 0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 56.12 1sqa s ARG 20 Cb -0.03 -0.20 -0.07 0.00 -1.56 0.00 0.00 34.95 33.09 1sqa s ARG 20 CO 0.27 -0.16 0.64 -0.98 -0.81 0.00 0.00 175.30 174.26 1sqa s ARG 21 N 1.04 4.22 0.35 5.12 1.70 -0.55 -1.93 118.95 128.89 1sqa s ARG 21 Ca -0.08 0.78 0.08 0.00 -0.47 0.00 0.00 55.73 56.04 1sqa s ARG 21 Cb -0.11 -3.06 -0.04 0.00 -0.57 0.00 0.00 34.95 31.16 1sqa s ARG 21 CO -0.04 0.52 0.15 -1.01 -1.08 0.00 0.00 175.30 173.84 1sqa s HIS 22 N -1.32 2.69 0.33 5.89 3.76 0.17 -4.91 115.29 121.90 1sqa s HIS 22 Ca 0.36 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 1sqa s HIS 22 Cb -0.18 -1.68 -0.12 0.00 1.11 0.00 0.00 32.58 31.71 1sqa s HIS 22 CO 0.21 0.32 1.41 0.54 -0.85 0.00 0.00 174.74 176.36 1sqa n ARG 23 N -1.16 2.36 -0.00 1.40 1.74 -1.26 -2.32 116.66 117.42 1sqa n ARG 23 Ca -0.03 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1sqa n ARG 23 Cb 0.62 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 1sqa n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqa n GLY 25 N 1.09 0.27 0.00 -0.13 0.00 -1.26 -4.49 105.19 100.67 1sqa n GLY 25 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1sqa n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqa n GLY 27 N -2.00 0.43 3.90 -0.02 0.00 -0.98 -5.08 105.19 101.44 1sqa n GLY 27 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1sqa n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqa s SER 28 N -2.21 6.40 -0.04 1.61 1.04 -1.26 -4.82 113.70 114.42 1sqa s SER 28 Ca 0.00 0.92 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1sqa s SER 28 Cb 0.00 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.89 1sqa s SER 28 CO 0.00 -0.41 -0.07 -0.69 0.98 0.00 0.00 173.24 173.05 1sqa s VAL 29 N -2.44 0.68 0.08 5.02 1.01 -1.26 0.41 120.40 123.90 1sqa s VAL 29 Ca 0.48 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1sqa s VAL 29 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1sqa s VAL 29 CO 0.36 0.24 -0.10 0.42 0.00 0.00 0.00 175.10 176.02 1sqa s THR 30 N 0.55 0.89 0.21 3.92 -4.23 -0.82 -4.99 115.64 111.17 1sqa s THR 30 Ca -0.08 -1.47 -0.30 0.00 -1.18 0.00 0.00 61.69 58.66 1sqa s THR 30 Cb -0.12 -1.16 -0.09 0.00 1.34 0.00 0.00 72.50 72.48 1sqa s THR 30 CO 0.01 -0.46 1.24 -0.47 -0.54 0.00 0.00 174.62 174.39 1sqa s TYR 31 N -2.02 3.34 -0.01 3.99 6.14 -1.26 -1.83 117.35 125.71 1sqa s TYR 31 Ca 0.01 1.36 -0.01 0.00 0.64 0.00 0.00 57.07 59.08 1sqa s TYR 31 Cb -0.06 -3.50 -0.00 0.00 0.42 0.00 0.00 41.96 38.82 1sqa s TYR 31 CO 0.00 -1.46 -0.02 0.28 0.64 0.00 0.00 175.55 174.99 1sqa n VAL 32 N 2.34 0.11 -3.76 3.14 0.31 0.31 -4.90 118.33 115.89 1sqa n VAL 32 Ca 0.04 0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.61 1sqa n VAL 32 Cb 0.44 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 1sqa n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqa s GLY 36 N -2.88 1.76 0.37 0.00 0.00 -0.68 -1.11 107.32 104.78 1sqa s GLY 36 Ca 0.10 -1.27 -0.06 0.00 0.00 0.00 0.00 44.72 43.49 1sqa s GLY 36 CO 0.00 -0.86 0.58 -0.32 0.00 0.00 0.00 173.10 172.51 1sqa s GLY 37 N -4.55 1.20 -0.03 0.20 0.00 0.01 -3.48 107.32 100.67 1sqa s GLY 37 Ca 0.61 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 44.03 1sqa s GLY 37 CO 0.43 -0.80 -0.07 -0.56 0.00 0.00 0.00 173.10 172.10 1sqa s SER 38 N -3.20 1.06 -0.35 1.64 0.01 -0.62 -1.13 113.70 111.11 1sqa s SER 38 Ca 0.26 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 1sqa s SER 38 Cb -0.02 -0.35 -0.00 0.00 0.21 0.00 0.00 66.02 65.85 1sqa s SER 38 CO 0.18 0.02 1.47 -0.22 0.41 0.00 0.00 173.24 175.11 1sqa s LEU 39 N 0.41 3.69 -0.17 2.44 2.96 -0.33 -0.56 118.68 127.11 1sqa s LEU 39 Ca -0.06 1.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.86 1sqa s LEU 39 Cb -0.10 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.83 1sqa s LEU 39 CO 0.00 -1.37 0.21 0.23 -1.32 0.00 0.00 176.35 174.11 1sqa n MET 41 N 7.90 0.70 -3.81 1.98 2.81 -0.85 -1.28 117.12 124.56 1sqa n MET 41 Ca 0.17 0.31 -0.10 0.00 -1.81 0.00 0.00 57.70 56.28 1sqa n MET 41 Cb 0.47 -1.68 -0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1sqa n MET 41 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1sqa s SER 43 N -6.96 -0.13 0.42 7.83 1.04 -1.19 -4.76 113.70 109.95 1sqa s SER 43 Ca -0.26 -0.60 0.15 0.00 0.48 0.00 0.00 55.95 55.72 1sqa s SER 43 Cb 0.07 0.50 1.03 0.00 0.10 0.00 0.00 66.02 67.72 1sqa s SER 43 CO 0.69 -0.95 1.91 -0.65 0.98 0.00 0.00 173.24 175.22 1sqa h PRO 44 N 2.38 0.44 -0.25 4.02 0.11 -1.95 -2.46 132.00 134.28 1sqa h PRO 44 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1sqa h PRO 44 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1sqa h PRO 44 CO 0.44 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 1sqa s TRP 48 N -1.70 1.58 -0.06 0.00 0.52 -0.93 -0.89 118.94 117.47 1sqa s TRP 48 Ca 0.35 -0.69 -0.02 0.00 0.02 0.00 0.00 56.10 55.75 1sqa s TRP 48 Cb 0.22 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 31.30 1sqa s TRP 48 CO 0.31 -0.40 0.07 0.08 0.02 0.00 0.00 176.95 177.03 1sqa s VAL 49 N 1.06 4.75 -0.07 4.03 1.01 -0.67 -2.01 120.40 128.50 1sqa s VAL 49 Ca -0.07 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1sqa s VAL 49 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1sqa s VAL 49 CO -0.01 0.49 -0.17 -0.51 0.00 0.00 0.00 175.10 174.90 1sqa s ILE 50 N -1.06 2.75 0.00 2.22 2.07 0.28 -1.16 121.20 126.30 1sqa s ILE 50 Ca 0.18 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.60 1sqa s ILE 50 Cb -0.12 -2.07 0.00 0.00 0.13 0.00 0.00 42.46 40.40 1sqa s ILE 50 CO 0.08 0.57 0.00 -0.24 -1.91 0.00 0.00 174.94 173.44 1sqa n SER 51 N 2.76 0.00 -4.29 4.50 2.88 -0.89 -1.59 113.62 116.99 1sqa n SER 51 Ca -0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1sqa n SER 51 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.83 1sqa n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqa s ALA 52 N -1.49 2.51 0.53 -1.46 0.00 -1.26 -2.10 121.76 118.50 1sqa s ALA 52 Ca 0.00 -0.99 0.28 0.00 0.00 0.00 0.00 51.96 51.24 1sqa s ALA 52 Cb 0.00 -1.19 1.43 0.00 0.00 0.00 0.00 23.12 23.36 1sqa s ALA 52 CO 0.00 0.07 1.95 1.15 0.00 0.00 0.00 175.76 178.94 1sqa h THR 53 N 5.59 0.66 0.00 0.00 2.02 -1.74 -2.45 112.91 116.99 1sqa h THR 53 Ca -0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1sqa h THR 53 Cb 1.20 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1sqa h THR 53 CO 0.56 0.00 -0.04 1.12 0.37 0.00 0.00 175.52 177.52 1sqa h HIS 54 N 0.00 0.00 0.00 3.16 2.07 -1.92 -1.00 115.15 117.46 1sqa h HIS 54 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1sqa h HIS 54 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1sqa h HIS 54 CO 0.00 0.04 0.00 0.00 -3.07 0.00 0.00 177.93 174.90 1sqa n PHE 56 N -2.88 0.00 0.22 0.00 3.72 -0.45 -4.84 117.46 113.23 1sqa n PHE 56 Ca 0.04 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 1sqa n PHE 56 Cb 0.47 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.63 1sqa n PHE 56 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1sqa h ILE 57 N 0.00 0.99 -0.00 4.37 6.09 -1.53 0.06 117.51 127.49 1sqa h ILE 57 Ca 0.00 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1sqa h ILE 57 Cb 0.00 0.93 0.00 0.00 0.47 0.00 0.00 36.82 38.22 1sqa h ILE 57 CO 0.00 0.01 -0.58 0.47 -3.07 0.00 0.00 178.15 174.98 1sqa n ASP 58 N -4.52 0.71 -3.30 2.19 8.00 -1.26 -4.32 116.55 114.05 1sqa n ASP 58 Ca -0.01 -0.52 -0.25 0.00 0.71 0.00 0.00 54.79 54.71 1sqa n ASP 58 Cb 0.13 0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 1sqa n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sqa n TYR 59 N -1.36 0.49 0.99 1.24 4.02 -0.01 -5.02 117.16 117.51 1sqa n TYR 59 Ca 0.06 -3.67 0.00 0.00 -0.01 0.00 0.00 57.90 54.28 1sqa n TYR 59 Cb 0.34 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1sqa n TYR 59 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1sqa n PRO 60 N 1.56 0.99 -3.42 -0.72 -0.04 -1.08 -4.85 135.00 127.44 1sqa n PRO 60 Ca 0.24 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.32 1sqa n PRO 60 Cb 0.49 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1sqa n PRO 60 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1sqa s LYS 61 N -0.55 4.13 0.58 0.54 1.02 -1.26 -4.92 119.74 119.27 1sqa s LYS 61 Ca 0.00 0.11 0.34 0.00 0.02 0.00 0.00 55.97 56.45 1sqa s LYS 61 Cb 0.00 -3.56 1.75 0.00 -0.52 0.00 0.00 37.83 35.50 1sqa s LYS 61 CO 0.00 -0.08 2.15 1.57 -0.92 0.00 0.00 175.35 178.07 1sqa h LYS 62 N 7.56 0.00 0.00 1.68 2.10 -1.89 -2.93 116.57 123.09 1sqa h LYS 62 Ca -0.35 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.24 1sqa h LYS 62 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1sqa h LYS 62 CO 0.69 0.05 -0.29 0.93 -2.00 0.00 0.00 179.45 178.84 1sqa h GLU 63 N 0.00 0.00 0.00 0.07 3.07 -1.91 -3.23 114.58 112.57 1sqa h GLU 63 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sqa h GLU 63 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1sqa h GLU 63 CO 0.01 0.29 0.00 -0.44 -1.40 0.00 0.00 179.01 177.46 1sqa h ASP 65 N 0.00 0.00 -3.35 1.42 3.45 -1.87 -3.46 116.42 112.62 1sqa h ASP 65 Ca -0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.90 1sqa h ASP 65 Cb 0.73 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.46 1sqa h ASP 65 CO 0.04 0.00 -0.02 -0.31 -1.57 0.00 0.00 179.24 177.38 1sqa s TYR 67 N -3.32 3.69 -0.06 4.55 2.02 -1.22 -1.49 117.35 121.52 1sqa s TYR 67 Ca 0.06 1.22 0.04 0.00 -0.37 0.00 0.00 57.07 58.01 1sqa s TYR 67 Cb 0.08 -2.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.14 1sqa s TYR 67 CO 0.59 0.47 -0.16 0.42 -1.57 0.00 0.00 175.55 175.29 1sqa s ILE 68 N -1.34 2.85 -0.08 2.71 1.01 -0.17 -4.20 121.20 121.98 1sqa s ILE 68 Ca 0.36 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1sqa s ILE 68 Cb -0.17 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1sqa s ILE 68 CO 0.20 0.58 -0.19 -0.69 0.00 0.00 0.00 174.94 174.83 1sqa s VAL 69 N -0.45 1.65 -0.01 2.92 1.01 -0.77 -1.11 120.40 123.63 1sqa s VAL 69 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1sqa s VAL 69 Cb -0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1sqa s VAL 69 CO 0.02 0.47 -0.09 -0.31 0.00 0.00 0.00 175.10 175.18 1sqa s TYR 70 N 0.36 2.83 0.00 5.22 1.51 -0.62 -0.85 117.35 125.80 1sqa s TYR 70 Ca -0.14 -0.07 0.08 0.00 -1.01 0.00 0.00 57.07 55.93 1sqa s TYR 70 Cb -0.16 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1sqa s TYR 70 CO 0.06 0.32 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.06 1sqa s LEU 71 N -1.19 2.09 -0.30 -1.29 1.43 -0.78 -1.39 118.68 117.25 1sqa s LEU 71 Ca 0.15 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1sqa s LEU 71 Cb -0.11 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1sqa s LEU 71 CO 0.05 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1sqa n GLY 72 N 2.25 0.52 3.49 -3.19 0.00 -1.25 -1.86 105.19 105.15 1sqa n GLY 72 Ca -0.16 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1sqa n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqa s ARG 73 N -2.71 3.69 -0.02 1.61 3.52 -1.26 -3.86 118.95 119.92 1sqa s ARG 73 Ca 0.00 -0.49 0.15 0.00 -0.13 0.00 0.00 55.73 55.25 1sqa s ARG 73 Cb 0.00 -3.05 -0.22 0.00 -1.56 0.00 0.00 34.95 30.12 1sqa s ARG 73 CO 0.00 0.12 0.35 0.43 -0.81 0.00 0.00 175.30 175.39 1sqa n SER 74 N 3.93 1.53 -4.05 -2.12 7.64 -1.26 -4.67 113.62 114.61 1sqa n SER 74 Ca -0.17 -0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.47 1sqa n SER 74 Cb 0.52 1.60 -0.12 0.00 -1.01 0.00 0.00 64.21 65.19 1sqa n SER 74 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1sqa s ARG 76 N -2.95 0.57 0.42 1.43 0.52 -1.26 -2.06 118.95 115.62 1sqa s ARG 76 Ca -0.04 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 1sqa s ARG 76 Cb 0.10 -0.43 0.90 0.00 0.52 0.00 0.00 34.95 36.04 1sqa s ARG 76 CO 0.61 0.09 2.06 1.25 0.02 0.00 0.00 175.30 179.33 1sqa h LEU 78 N 4.89 0.41 -5.00 2.53 5.85 -1.61 -3.28 115.31 119.11 1sqa h LEU 78 Ca -0.34 -0.01 -0.36 0.00 0.84 0.00 0.00 57.88 58.00 1sqa h LEU 78 Cb 1.20 -0.10 -0.40 0.00 0.37 0.00 0.00 40.66 41.72 1sqa h LEU 78 CO 0.43 0.31 -1.18 0.59 -0.34 0.00 0.00 178.44 178.25 1sqa n ASN 79 N -4.47 1.53 -3.49 1.25 3.02 -1.26 -5.01 115.26 106.83 1sqa n ASN 79 Ca 0.02 -2.72 -0.15 0.00 -0.03 0.00 0.00 54.58 51.71 1sqa n ASN 79 Cb 0.07 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.67 1sqa n ASN 79 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1sqa s SER 80 N -3.15 -0.59 -0.67 6.41 1.04 -1.24 -5.11 113.70 110.39 1sqa s SER 80 Ca 0.28 0.38 -0.27 0.00 0.48 0.00 0.00 55.95 56.82 1sqa s SER 80 Cb 0.45 0.54 0.02 0.00 0.10 0.00 0.00 66.02 67.13 1sqa s SER 80 CO 0.03 -0.73 1.35 0.20 0.98 0.00 0.00 173.24 175.07 1sqa s ASN 81 N -1.85 6.11 0.31 7.02 0.01 -1.26 -4.54 114.94 120.74 1sqa s ASN 81 Ca -0.05 -0.16 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 1sqa s ASN 81 Cb -0.00 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 1sqa s ASN 81 CO -0.00 -1.82 1.21 -0.89 -1.51 0.00 0.00 177.10 174.09 1sqa s THR 82 N 6.00 3.08 0.27 1.60 2.01 -1.26 -4.95 115.64 122.39 1sqa s THR 82 Ca 0.42 1.09 -0.31 0.00 0.31 0.00 0.00 61.69 63.21 1sqa s THR 82 Cb -0.09 -3.69 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 1sqa s THR 82 CO 0.19 0.26 1.54 0.00 -0.69 0.00 0.00 174.62 175.91 1sqa n GLN 83 N 1.00 2.46 -0.57 4.92 -0.00 -1.26 -1.79 117.38 122.14 1sqa n GLN 83 Ca -0.01 0.88 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 1sqa n GLN 83 Cb 0.43 -2.62 0.00 0.00 -0.00 0.00 0.00 30.24 28.05 1sqa n GLN 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sqa n GLY 84 N 2.26 0.76 3.78 2.61 0.00 -1.26 -5.00 105.19 108.35 1sqa n GLY 84 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1sqa n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqa s GLU 85 N -0.43 2.24 0.03 1.61 -1.05 -0.74 -4.78 118.70 115.58 1sqa s GLU 85 Ca 0.00 0.91 0.02 0.00 -0.15 0.00 0.00 54.97 55.75 1sqa s GLU 85 Cb 0.00 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1sqa s GLU 85 CO 0.00 -1.58 -0.08 -1.64 0.95 0.00 0.00 175.26 172.91 1sqa s MET 86 N -5.01 0.53 -0.03 -4.83 -1.94 -0.78 -4.99 119.30 102.25 1sqa s MET 86 Ca 0.61 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 54.04 1sqa s MET 86 Cb -0.16 -0.37 -0.02 0.00 2.01 0.00 0.00 34.83 36.29 1sqa s MET 86 CO 0.55 0.08 -0.23 0.21 -0.01 0.00 0.00 175.02 175.62 1sqa s LYS 87 N -1.18 2.20 0.05 2.03 2.20 -1.26 -1.86 119.74 121.93 1sqa s LYS 87 Ca -0.06 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 1sqa s LYS 87 Cb -0.08 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 1sqa s LYS 87 CO 0.00 0.58 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.41 1sqa s PHE 88 N -0.64 0.85 0.56 4.03 0.40 -0.03 -4.69 117.98 118.45 1sqa s PHE 88 Ca 0.10 -0.49 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 1sqa s PHE 88 Cb -0.10 -0.49 0.07 0.00 0.51 0.00 0.00 43.02 43.01 1sqa s PHE 88 CO -0.01 -0.04 0.71 -1.21 0.70 0.00 0.00 175.22 175.37 1sqa s GLU 89 N -1.66 2.34 -0.43 0.44 2.02 0.15 -1.85 118.70 119.71 1sqa s GLU 89 Ca -0.07 -1.67 -0.12 0.00 0.02 0.00 0.00 54.97 53.12 1sqa s GLU 89 Cb -0.10 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.63 1sqa s GLU 89 CO 0.01 -0.77 0.31 0.08 0.02 0.00 0.00 175.26 174.91 1sqa s VAL 90 N -2.66 4.76 0.32 2.63 1.01 -1.26 -2.00 120.40 123.20 1sqa s VAL 90 Ca 0.57 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1sqa s VAL 90 Cb -0.05 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.58 1sqa s VAL 90 CO 0.36 -0.47 1.76 -0.08 0.00 0.00 0.00 175.10 176.66 1sqa h GLU 91 N 8.56 0.25 -2.56 2.72 4.81 -0.72 -3.43 114.58 124.20 1sqa h GLU 91 Ca -0.26 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 1sqa h GLU 91 Cb 1.10 -0.01 -0.27 0.00 0.63 0.00 0.00 28.75 30.19 1sqa h GLU 91 CO 0.79 0.55 -0.35 1.21 -0.73 0.00 0.00 179.01 180.48 1sqa s ASN 92 N -6.87 -0.32 -0.36 1.04 3.84 -1.08 -4.96 114.94 106.23 1sqa s ASN 92 Ca -0.05 0.95 -0.14 0.00 0.21 0.00 0.00 52.86 53.83 1sqa s ASN 92 Cb 0.14 1.14 -0.01 0.00 -0.55 0.00 0.00 41.25 41.97 1sqa s ASN 92 CO 0.76 -0.22 0.29 -0.22 -2.79 0.00 0.00 177.10 174.92 1sqa s LEU 93 N 2.21 4.61 -0.31 3.21 2.96 -1.26 -0.46 118.68 129.63 1sqa s LEU 93 Ca -0.04 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1sqa s LEU 93 Cb -0.11 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1sqa s LEU 93 CO -0.13 -0.31 0.09 -0.63 -1.32 0.00 0.00 176.35 174.04 1sqa s ILE 94 N 1.82 3.84 0.20 6.68 1.01 0.71 -5.00 121.20 130.46 1sqa s ILE 94 Ca 0.08 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1sqa s ILE 94 Cb -0.17 -3.07 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1sqa s ILE 94 CO 0.11 -0.03 0.64 -0.76 0.00 0.00 0.00 174.94 174.90 1sqa s LEU 95 N 1.45 4.31 0.08 2.97 1.43 -1.26 -0.46 118.68 127.20 1sqa s LEU 95 Ca 0.01 1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 54.03 1sqa s LEU 95 Cb -0.18 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 1sqa s LEU 95 CO 0.02 0.04 1.54 -2.28 0.23 0.00 0.00 176.35 175.91 1sqa s HIS 96 N -1.54 2.78 0.40 0.29 5.65 -1.15 -4.93 115.29 116.79 1sqa s HIS 96 Ca 0.42 0.59 0.40 0.00 0.25 0.00 0.00 55.06 56.71 1sqa s HIS 96 Cb -0.15 -3.85 1.95 0.00 -1.18 0.00 0.00 32.58 29.35 1sqa s HIS 96 CO 0.20 -3.25 2.19 1.57 -0.65 0.00 0.00 174.74 174.81 1sqa h LYS 97 N 7.65 0.00 -0.49 2.88 2.10 -1.94 -1.96 116.57 124.80 1sqa h LYS 97 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1sqa h LYS 97 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1sqa h LYS 97 CO 0.91 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 178.11 1sqa n ASP 98 N -3.07 3.92 -4.52 7.07 8.00 -1.26 -5.00 116.55 121.68 1sqa n ASP 98 Ca -0.01 -2.35 -0.47 0.00 0.71 0.00 0.00 54.79 52.67 1sqa n ASP 98 Cb 0.18 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1sqa n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqa n TYR 99 N 0.71 0.69 -4.14 1.24 4.19 -0.74 -4.68 117.16 114.43 1sqa n TYR 99 Ca 0.20 0.80 -0.12 0.00 3.31 0.00 0.00 57.90 62.09 1sqa n TYR 99 Cb 0.71 -2.16 -0.08 0.00 0.49 0.00 0.00 39.34 38.30 1sqa n TYR 99 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1sqa s SER 100 N -0.58 0.30 -0.04 2.98 1.04 -0.60 -4.95 113.70 111.84 1sqa s SER 100 Ca 0.64 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.78 1sqa s SER 100 Cb -0.82 0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.80 1sqa s SER 100 CO 0.57 -1.00 -0.04 0.00 0.98 0.00 0.00 173.24 173.75 1sqa s ALA 101 N -3.94 0.64 0.22 5.32 0.00 -1.26 -0.62 121.76 122.12 1sqa s ALA 101 Ca 0.33 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1sqa s ALA 101 Cb 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1sqa s ALA 101 CO 0.13 0.00 0.16 -0.25 0.00 0.00 0.00 175.76 175.81 1sqa n ASP 102 N 3.96 0.35 -0.29 0.00 9.92 0.14 -5.00 116.55 125.63 1sqa n ASP 102 Ca -0.25 -1.27 0.14 0.00 -0.53 0.00 0.00 54.79 52.88 1sqa n ASP 102 Cb 0.51 -0.09 0.39 0.00 -0.64 0.00 0.00 41.12 41.28 1sqa n ASP 102 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1sqa h THR 103 N -0.12 0.76 0.00 -3.53 2.02 -2.03 -3.37 112.91 106.63 1sqa h THR 103 Ca -0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1sqa h THR 103 Cb 0.23 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1sqa h THR 103 CO 0.07 0.12 -0.44 0.18 0.37 0.00 0.00 175.52 175.82 1sqa n LEU 104 N -4.61 0.38 -4.77 2.58 4.77 -1.26 -5.07 117.00 109.02 1sqa n LEU 104 Ca 0.20 0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.89 1sqa n LEU 104 Cb 0.55 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1sqa n LEU 104 CO 0.27 -0.40 0.77 0.00 -1.33 0.00 0.00 177.39 176.71 1sqa s ALA 105 N -2.00 3.25 0.16 -1.18 0.00 -1.26 -4.70 121.76 116.03 1sqa s ALA 105 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.87 1sqa s ALA 105 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1sqa s ALA 105 CO 0.00 -0.21 -0.16 -1.01 0.00 0.00 0.00 175.76 174.38 1sqa s HIS 106 N -1.38 2.52 -0.04 0.00 3.76 -1.26 0.29 115.29 119.17 1sqa s HIS 106 Ca 0.51 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1sqa s HIS 106 Cb -0.28 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1sqa s HIS 106 CO 0.35 0.46 -0.12 -1.01 -0.85 0.00 0.00 174.74 173.56 1sqa s HIS 107 N -1.46 1.31 -1.29 1.40 3.76 0.21 -4.67 115.29 114.55 1sqa s HIS 107 Ca 0.21 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.72 1sqa s HIS 107 Cb -0.09 -0.92 0.01 0.00 1.11 0.00 0.00 32.58 32.69 1sqa s HIS 107 CO 0.12 -0.15 0.92 0.09 -0.85 0.00 0.00 174.74 174.86 1sqa n ASN 108 N 3.32 -2.60 -4.27 1.40 3.02 -1.26 -1.56 115.26 113.30 1sqa n ASN 108 Ca -0.19 -0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 1sqa n ASN 108 Cb 0.53 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 1sqa n ASN 108 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sqa n ASP 109 N -3.06 4.76 -3.71 6.41 4.64 -1.26 -4.33 116.55 119.99 1sqa n ASP 109 Ca -0.22 -2.93 -0.12 0.00 -1.38 0.00 0.00 54.79 50.14 1sqa n ASP 109 Cb 0.64 -1.66 -0.11 0.00 -1.04 0.00 0.00 41.12 38.96 1sqa n ASP 109 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1sqa s ILE 110 N 3.02 -0.02 0.01 5.18 2.07 -1.26 -4.26 121.20 125.94 1sqa s ILE 110 Ca 0.48 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.77 1sqa s ILE 110 Cb 0.06 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 42.05 1sqa s ILE 110 CO 0.02 0.02 0.01 0.00 -1.91 0.00 0.00 174.94 173.08 1sqa s ALA 111 N 0.90 -0.00 0.02 1.50 0.00 -0.89 -2.94 121.76 120.34 1sqa s ALA 111 Ca -0.06 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1sqa s ALA 111 Cb -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1sqa s ALA 111 CO -0.07 -0.13 -0.16 -0.51 0.00 0.00 0.00 175.76 174.89 1sqa s LEU 112 N -1.07 2.69 -0.28 0.00 1.43 0.39 -2.08 118.68 119.76 1sqa s LEU 112 Ca -0.12 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1sqa s LEU 112 Cb -0.07 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.67 1sqa s LEU 112 CO -0.00 0.27 0.01 -0.76 0.23 0.00 0.00 176.35 176.10 1sqa s LEU 113 N -1.32 3.01 -0.12 1.79 1.02 -0.31 -0.21 118.68 122.54 1sqa s LEU 113 Ca 0.14 -1.54 -0.30 0.00 0.02 0.00 0.00 54.13 52.46 1sqa s LEU 113 Cb -0.11 -1.20 -0.01 0.00 0.02 0.00 0.00 46.19 44.89 1sqa s LEU 113 CO 0.05 -0.32 1.09 -0.75 0.02 0.00 0.00 176.35 176.44 1sqa s LYS 114 N 1.34 4.36 0.11 1.70 2.20 0.39 -1.66 119.74 128.17 1sqa s LYS 114 Ca 0.03 1.50 -0.02 0.00 -0.36 0.00 0.00 55.97 57.11 1sqa s LYS 114 Cb -0.18 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1sqa s LYS 114 CO -0.12 -0.44 0.29 0.96 -0.36 0.00 0.00 175.35 175.68 1sqa s ILE 115 N 2.40 5.29 0.09 5.43 -4.36 -0.07 0.00 121.20 129.97 1sqa s ILE 115 Ca 0.50 -0.24 -0.13 0.00 -0.26 0.00 0.00 60.65 60.52 1sqa s ILE 115 Cb -0.20 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.89 1sqa s ILE 115 CO 0.17 0.06 0.31 0.00 0.24 0.00 0.00 174.94 175.72 1sqa s ARG 116 N -2.67 0.92 0.80 0.37 1.70 -0.85 -4.64 118.95 114.59 1sqa s ARG 116 Ca 0.38 -0.70 -0.10 0.00 -0.47 0.00 0.00 55.73 54.83 1sqa s ARG 116 Cb -0.12 0.39 0.11 0.00 -0.57 0.00 0.00 34.95 34.76 1sqa s ARG 116 CO 0.27 -0.32 1.15 -1.54 -1.08 0.00 0.00 175.30 173.77 1sqa s SER 117 N -2.55 4.26 0.56 -2.89 1.04 0.89 -0.67 113.70 114.34 1sqa s SER 117 Ca 0.01 0.46 0.32 0.00 0.48 0.00 0.00 55.95 57.22 1sqa s SER 117 Cb 0.02 -0.89 1.68 0.00 0.10 0.00 0.00 66.02 66.93 1sqa s SER 117 CO -0.09 -2.00 2.14 0.11 0.98 0.00 0.00 173.24 174.38 1sqa h LYS 118 N -1.01 0.00 -0.00 4.02 1.79 -1.90 -0.98 116.57 118.49 1sqa h LYS 118 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1sqa h LYS 118 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1sqa h LYS 118 CO 0.55 0.07 -0.37 0.39 -1.08 0.00 0.00 179.45 179.02 1sqa n GLU 119 N -3.46 0.07 0.00 3.15 4.71 -1.26 -4.94 120.64 118.91 1sqa n GLU 119 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1sqa n GLU 119 Cb 0.20 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1sqa n GLU 119 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sqa n GLY 120 N 1.48 1.13 3.89 0.62 0.00 -0.37 -5.09 105.19 106.85 1sqa n GLY 120 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1sqa n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqa s ARG 121 N -0.69 3.16 0.64 1.61 0.52 -1.26 -4.70 118.95 118.23 1sqa s ARG 121 Ca 0.00 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1sqa s ARG 121 Cb 0.00 -2.72 0.14 0.00 0.52 0.00 0.00 34.95 32.88 1sqa s ARG 121 CO 0.00 0.43 0.88 0.00 0.02 0.00 0.00 175.30 176.62 1sqa s ALA 123 N -3.42 2.87 -0.45 0.00 0.00 -0.86 -4.81 121.76 115.09 1sqa s ALA 123 Ca 0.54 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1sqa s ALA 123 Cb -0.02 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.73 1sqa s ALA 123 CO 0.37 -1.06 0.29 -1.14 0.00 0.00 0.00 175.76 174.22 1sqa s GLN 124 N -2.84 2.31 0.12 0.00 2.00 -1.26 -4.84 119.66 115.15 1sqa s GLN 124 Ca 0.68 -1.78 -0.34 0.00 -2.00 0.00 0.00 55.36 51.93 1sqa s GLN 124 Cb -0.35 -3.80 -0.17 0.00 0.80 0.00 0.00 33.01 29.49 1sqa s GLN 124 CO 0.41 -1.15 0.99 -2.30 -0.50 0.00 0.00 175.29 172.75 1sqa n PRO 125 N 4.79 0.54 -0.81 1.67 -0.02 -1.26 -4.87 135.00 135.04 1sqa n PRO 125 Ca -0.06 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1sqa n PRO 125 Cb 0.41 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1sqa n PRO 125 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sqa n SER 126 N 1.86 0.00 0.21 2.55 3.41 0.67 -4.96 113.62 117.37 1sqa n SER 126 Ca 0.17 -0.62 0.06 0.00 -0.26 0.00 0.00 58.87 58.23 1sqa n SER 126 Cb 0.19 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.63 1sqa n SER 126 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sqa h ARG 127 N 0.00 0.00 -0.01 4.33 2.43 -1.99 -2.23 114.38 116.91 1sqa h ARG 127 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sqa h ARG 127 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1sqa h ARG 127 CO 0.00 0.27 -0.29 0.25 -1.51 0.00 0.00 179.97 178.69 1sqa n THR 128 N -3.88 0.00 -3.76 0.20 -2.24 -1.26 -4.87 114.28 98.48 1sqa n THR 128 Ca -0.02 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1sqa n THR 128 Cb 0.36 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.59 1sqa n THR 128 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sqa s ILE 129 N -1.71 0.73 0.04 2.28 1.01 -0.84 -3.96 121.20 118.76 1sqa s ILE 129 Ca 0.11 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 1sqa s ILE 129 Cb 0.11 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1sqa s ILE 129 CO 0.35 -0.32 0.12 -1.10 0.00 0.00 0.00 174.94 173.99 1sqa s GLN 130 N 1.74 0.62 0.64 2.79 -1.52 -0.47 -0.24 119.66 123.24 1sqa s GLN 130 Ca 0.01 -0.74 -0.07 0.00 -1.95 0.00 0.00 55.36 52.61 1sqa s GLN 130 Cb -0.17 0.25 0.02 0.00 -0.22 0.00 0.00 33.01 32.89 1sqa s GLN 130 CO -0.13 -0.16 0.97 0.95 -0.25 0.00 0.00 175.29 176.67 1sqa s THR 131 N -2.67 3.26 -0.11 -0.19 -4.23 -1.26 -3.19 115.64 107.25 1sqa s THR 131 Ca -0.04 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1sqa s THR 131 Cb -0.01 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.50 1sqa s THR 131 CO -0.05 -0.37 -0.22 -0.51 -0.54 0.00 0.00 174.62 172.93 1sqa s ILE 132 N -3.13 1.93 0.31 2.99 1.10 -0.41 -4.80 121.20 119.19 1sqa s ILE 132 Ca 0.56 -0.93 -0.29 0.00 -0.51 0.00 0.00 60.65 59.49 1sqa s ILE 132 Cb -0.11 -1.69 -0.10 0.00 0.15 0.00 0.00 42.46 40.71 1sqa s ILE 132 CO 0.46 0.53 1.38 0.00 -2.11 0.00 0.00 174.94 175.20 1sqa s LEU 134 N -1.39 3.36 0.87 0.00 1.43 -1.26 -0.84 118.68 120.85 1sqa s LEU 134 Ca 0.53 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1sqa s LEU 134 Cb -0.42 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.41 1sqa s LEU 134 CO 0.52 -1.12 1.09 -2.16 0.23 0.00 0.00 176.35 174.91 1sqa s PRO 135 N -4.56 1.51 0.20 1.29 0.04 -1.26 -4.84 135.00 127.37 1sqa s PRO 135 Ca 0.60 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1sqa s PRO 135 Cb -0.14 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1sqa s PRO 135 CO 0.45 -2.07 0.33 -1.54 0.04 0.00 0.00 177.00 174.21 1sqa s SER 136 N -3.51 6.33 0.30 6.66 1.04 -1.26 -4.89 113.70 118.37 1sqa s SER 136 Ca 0.63 0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.90 1sqa s SER 136 Cb -0.17 -1.89 -0.12 0.00 0.10 0.00 0.00 66.02 63.94 1sqa s SER 136 CO 0.56 -0.02 1.61 0.23 0.98 0.00 0.00 173.24 176.60 1sqa n MET 137 N -1.00 2.74 -2.37 4.02 2.81 -1.26 -2.56 117.12 119.50 1sqa n MET 137 Ca -0.08 0.97 -0.19 0.00 -1.81 0.00 0.00 57.70 56.59 1sqa n MET 137 Cb 0.55 -2.76 -0.01 0.00 -0.71 0.00 0.00 33.22 30.29 1sqa n MET 137 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqa n TYR 138 N 2.15 -1.04 -3.28 2.03 4.01 -1.26 -4.96 117.16 114.81 1sqa n TYR 138 Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 1sqa n TYR 138 Cb 0.37 -3.71 -0.08 0.00 -0.31 0.00 0.00 39.34 35.61 1sqa n TYR 138 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1sqa n ASN 139 N -1.94 0.67 -4.98 7.72 5.15 -1.06 -5.12 115.26 115.71 1sqa n ASN 139 Ca -0.23 -2.77 -0.20 0.00 -0.60 0.00 0.00 54.58 50.79 1sqa n ASN 139 Cb 0.67 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1sqa n ASN 139 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1sqa s ASP 140 N -1.18 5.94 0.80 1.20 -0.00 -1.26 -4.66 116.67 117.50 1sqa s ASP 140 Ca 0.35 -0.09 -0.11 0.00 -0.00 0.00 0.00 52.55 52.70 1sqa s ASP 140 Cb 0.14 -1.29 0.07 0.00 -0.00 0.00 0.00 42.92 41.84 1sqa s ASP 140 CO -0.11 -0.49 1.09 -2.84 -0.00 0.00 0.00 175.17 172.82 1sqa s PRO 141 N -4.25 2.06 0.50 8.23 0.02 -1.26 -5.00 135.00 135.30 1sqa s PRO 141 Ca 0.46 1.05 -0.19 0.00 0.02 0.00 0.00 61.00 62.34 1sqa s PRO 141 Cb -0.10 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 1sqa s PRO 141 CO 0.32 -1.75 1.02 1.14 -0.33 0.00 0.00 177.00 177.41 1sqa s GLN 142 N -4.93 3.79 0.33 5.54 -2.07 -1.26 -4.95 119.66 116.10 1sqa s GLN 142 Ca 0.61 1.23 -0.29 0.00 -1.82 0.00 0.00 55.36 55.10 1sqa s GLN 142 Cb -0.17 -2.10 -0.12 0.00 -1.09 0.00 0.00 33.01 29.53 1sqa s GLN 142 CO 0.56 -0.43 1.34 1.97 -1.32 0.00 0.00 175.29 177.41 1sqa n PHE 143 N -1.22 2.35 0.00 9.60 1.16 -1.26 -1.97 117.46 126.11 1sqa n PHE 143 Ca 0.08 0.51 0.00 0.00 -1.87 0.00 0.00 57.45 56.18 1sqa n PHE 143 Cb 0.53 -2.44 0.00 0.00 -1.61 0.00 0.00 39.48 35.96 1sqa n PHE 143 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sqa n GLY 144 N 1.00 0.03 3.75 4.97 0.00 0.56 -4.99 105.19 110.51 1sqa n GLY 144 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1sqa n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sqa n THR 145 N -1.97 1.66 -2.99 2.61 -1.04 -0.83 -4.65 114.28 107.06 1sqa n THR 145 Ca 0.00 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.05 61.20 1sqa n THR 145 Cb 0.00 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 66.56 1sqa n THR 145 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1sqa s SER 146 N 0.06 7.04 0.19 8.00 0.01 -1.26 -0.52 113.70 127.22 1sqa s SER 146 Ca 0.57 1.26 0.03 0.00 1.31 0.00 0.00 55.95 59.12 1sqa s SER 146 Cb -0.50 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.25 1sqa s SER 146 CO 0.58 -0.14 -0.02 0.00 0.41 0.00 0.00 173.24 174.07 1sqa s GLU 148 N -3.86 2.35 0.04 0.00 -1.05 -0.49 -1.71 118.70 113.98 1sqa s GLU 148 Ca 0.24 -1.07 0.05 0.00 -0.15 0.00 0.00 54.97 54.05 1sqa s GLU 148 Cb 0.05 -2.36 -0.02 0.00 -0.44 0.00 0.00 34.13 31.36 1sqa s GLU 148 CO 0.05 0.47 -0.15 0.96 0.95 0.00 0.00 175.26 177.55 1sqa s ILE 149 N -1.58 1.16 0.00 1.83 -4.36 -1.14 -0.91 121.20 116.20 1sqa s ILE 149 Ca 0.26 -1.03 -0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1sqa s ILE 149 Cb -0.10 -1.05 -0.00 0.00 1.25 0.00 0.00 42.46 42.56 1sqa s ILE 149 CO 0.17 0.01 0.01 -0.89 0.24 0.00 0.00 174.94 174.48 1sqa s THR 150 N -0.86 0.02 0.00 8.37 2.01 -1.26 -2.13 115.64 121.79 1sqa s THR 150 Ca 0.02 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1sqa s THR 150 Cb -0.08 -0.08 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1sqa s THR 150 CO 0.01 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 1sqa n GLY 151 N 2.75 0.47 1.07 4.40 0.00 -0.82 -4.54 105.19 108.52 1sqa n GLY 151 Ca -0.15 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1sqa n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqa n PHE 152 N -0.03 0.92 -0.55 1.61 3.72 -1.26 -2.86 117.46 119.00 1sqa n PHE 152 Ca 0.00 -0.35 -0.21 0.00 -0.05 0.00 0.00 57.45 56.84 1sqa n PHE 152 Cb 0.00 -0.20 0.18 0.00 -0.94 0.00 0.00 39.48 38.52 1sqa n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqa n GLY 153 N 0.66 -3.22 3.78 1.37 0.00 -1.24 -4.20 105.19 102.34 1sqa n GLY 153 Ca 0.15 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1sqa n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqa s LYS 154 N -4.58 4.18 0.17 1.61 1.02 -0.06 -1.00 119.74 121.08 1sqa s LYS 154 Ca 0.47 2.48 0.24 0.00 0.02 0.00 0.00 55.97 59.18 1sqa s LYS 154 Cb -0.06 -3.00 0.38 0.00 -0.52 0.00 0.00 37.83 34.63 1sqa s LYS 154 CO 0.38 -0.44 1.39 0.93 -0.92 0.00 0.00 175.35 176.68 1sqa h GLU 155 N 3.20 0.00 -3.04 1.68 5.08 -1.85 0.46 114.58 120.10 1sqa h GLU 155 Ca -0.50 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 1sqa h GLU 155 Cb 1.23 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.24 1sqa h GLU 155 CO 0.65 0.00 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.64 1sqa s GLN 156 N -3.18 0.36 0.54 2.33 -1.52 -1.26 -4.22 119.66 112.70 1sqa s GLN 156 Ca 0.06 0.36 0.24 0.00 -1.95 0.00 0.00 55.36 54.07 1sqa s GLN 156 Cb 0.12 0.17 1.43 0.00 -0.22 0.00 0.00 33.01 34.51 1sqa s GLN 156 CO 0.70 -0.05 2.07 0.77 -0.25 0.00 0.00 175.29 178.53 1sqa h SER 157 N 5.58 0.00 0.27 5.90 0.02 -1.89 -0.71 113.55 122.72 1sqa h SER 157 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1sqa h SER 157 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1sqa h SER 157 CO 0.33 0.00 -0.19 0.35 -1.14 0.00 0.00 176.83 176.18 1sqa n THR 158 N -4.27 0.00 -1.62 -2.27 -2.24 -1.26 -4.90 114.28 97.72 1sqa n THR 158 Ca 0.04 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1sqa n THR 158 Cb 0.38 0.21 0.07 0.00 -2.10 0.00 0.00 70.33 68.89 1sqa n THR 158 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sqa s ASP 159 N -2.46 4.68 0.00 3.42 -0.00 -0.27 -4.95 116.67 117.09 1sqa s ASP 159 Ca 0.27 2.18 0.11 0.00 -0.00 0.00 0.00 52.55 55.11 1sqa s ASP 159 Cb 0.20 -2.57 0.15 0.00 -0.00 0.00 0.00 42.92 40.69 1sqa s ASP 159 CO 0.49 -1.92 0.96 0.00 -0.00 0.00 0.00 175.17 174.70 1sqa n TYR 160 N -2.52 0.12 -4.63 4.23 4.11 -1.26 -4.97 117.16 112.25 1sqa n TYR 160 Ca 0.12 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.90 57.59 1sqa n TYR 160 Cb 0.51 -0.01 -0.14 0.00 -0.00 0.00 0.00 39.34 39.71 1sqa n TYR 160 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1sqa s LEU 161 N -0.95 2.26 0.24 -3.48 1.43 -1.26 -5.13 118.68 111.79 1sqa s LEU 161 Ca 0.16 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 1sqa s LEU 161 Cb 0.10 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.98 1sqa s LEU 161 CO 0.14 0.22 0.59 -0.31 0.23 0.00 0.00 176.35 177.22 1sqa s TYR 162 N -0.94 3.44 0.68 0.29 4.12 -1.26 -4.73 117.35 118.95 1sqa s TYR 162 Ca 0.13 0.98 -0.17 0.00 0.02 0.00 0.00 57.07 58.03 1sqa s TYR 162 Cb -0.10 -2.34 0.01 0.00 -1.52 0.00 0.00 41.96 38.01 1sqa s TYR 162 CO 0.04 0.26 1.26 -0.35 0.02 0.00 0.00 175.55 176.78 1sqa n PRO 163 N -0.03 0.92 0.10 -1.71 -0.04 -1.26 -4.93 135.00 128.05 1sqa n PRO 163 Ca 0.00 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1sqa n PRO 163 Cb 0.52 -2.49 0.40 0.00 -0.04 0.00 0.00 33.50 31.89 1sqa n PRO 163 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sqa n GLU 164 N -2.13 0.25 -4.56 0.54 4.07 -1.26 -4.68 120.64 112.87 1sqa n GLU 164 Ca 0.15 0.19 -0.30 0.00 -0.06 0.00 0.00 57.16 57.15 1sqa n GLU 164 Cb 0.48 -1.78 -0.13 0.00 -0.06 0.00 0.00 31.44 29.95 1sqa n GLU 164 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1sqa s GLN 165 N -3.10 1.64 0.39 5.31 2.00 -1.26 -1.72 119.66 122.92 1sqa s GLN 165 Ca 0.11 -1.22 -0.27 0.00 -2.00 0.00 0.00 55.36 51.97 1sqa s GLN 165 Cb 0.13 -1.98 -0.10 0.00 0.80 0.00 0.00 33.01 31.85 1sqa s GLN 165 CO 0.60 0.48 1.48 -0.11 -0.50 0.00 0.00 175.29 177.24 1sqa n LEU 167 N 1.22 4.87 -4.39 3.68 7.94 -0.87 -4.88 117.00 124.57 1sqa n LEU 167 Ca -0.17 1.21 -0.23 0.00 -1.11 0.00 0.00 56.01 55.71 1sqa n LEU 167 Cb 0.53 -1.62 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 1sqa n LEU 167 CO 0.24 0.10 -0.48 -0.54 -1.11 0.00 0.00 177.39 175.60 1sqa s LYS 168 N -2.18 1.45 0.06 1.96 1.02 -1.14 -1.31 119.74 119.59 1sqa s LYS 168 Ca 0.55 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1sqa s LYS 168 Cb -0.47 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1sqa s LYS 168 CO 0.63 0.30 -0.07 0.00 -0.92 0.00 0.00 175.35 175.29 1sqa s MET 169 N -3.11 0.60 0.32 1.68 0.23 -0.82 -1.95 119.30 116.24 1sqa s MET 169 Ca 0.22 -0.93 -0.05 0.00 -1.03 0.00 0.00 55.69 53.90 1sqa s MET 169 Cb -0.05 -0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.05 1sqa s MET 169 CO 0.10 0.01 0.47 -0.08 -2.03 0.00 0.00 175.02 173.49 1sqa s THR 170 N -2.16 0.00 -0.04 3.16 -1.32 -0.91 -1.86 115.64 112.51 1sqa s THR 170 Ca -0.04 -1.56 0.05 0.00 -1.21 0.00 0.00 61.69 58.94 1sqa s THR 170 Cb -0.05 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.37 1sqa s THR 170 CO -0.02 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.51 1sqa s VAL 171 N -3.24 1.58 0.21 5.08 1.01 -1.26 -2.89 120.40 120.88 1sqa s VAL 171 Ca 0.29 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1sqa s VAL 171 Cb -0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1sqa s VAL 171 CO 0.17 0.45 -0.04 0.68 0.00 0.00 0.00 175.10 176.36 1sqa s VAL 172 N -0.06 1.12 -0.05 2.92 -7.23 -0.69 -4.86 120.40 111.55 1sqa s VAL 172 Ca -0.03 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1sqa s VAL 172 Cb -0.12 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1sqa s VAL 172 CO 0.02 -0.46 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.70 1sqa s LYS 173 N -3.82 2.57 0.49 4.82 1.02 0.69 -0.48 119.74 125.04 1sqa s LYS 173 Ca 0.25 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.34 1sqa s LYS 173 Cb 0.04 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1sqa s LYS 173 CO 0.06 0.63 1.39 -0.51 -0.92 0.00 0.00 175.35 176.01 1sqa s LEU 174 N -0.85 4.01 -0.06 3.17 1.43 0.32 -1.00 118.68 125.70 1sqa s LEU 174 Ca 0.12 2.84 0.05 0.00 -1.03 0.00 0.00 54.13 56.12 1sqa s LEU 174 Cb -0.11 -4.07 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 1sqa s LEU 174 CO 0.02 -1.32 -0.22 -0.63 0.23 0.00 0.00 176.35 174.43 1sqa s ILE 175 N -1.25 1.81 0.70 -0.59 1.01 0.10 -0.32 121.20 122.66 1sqa s ILE 175 Ca 0.65 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 1sqa s ILE 175 Cb -0.42 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1sqa s ILE 175 CO 0.52 0.51 1.10 -0.94 0.00 0.00 0.00 174.94 176.13 1sqa s SER 176 N -0.04 4.90 0.24 3.58 1.04 -1.26 -4.28 113.70 117.88 1sqa s SER 176 Ca -0.05 1.94 -0.04 0.00 0.48 0.00 0.00 55.95 58.28 1sqa s SER 176 Cb -0.13 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 63.88 1sqa s SER 176 CO 0.03 -1.77 1.75 -0.74 0.98 0.00 0.00 173.24 173.50 1sqa h HIS 177 N -0.37 0.60 -0.32 5.02 2.76 -1.96 0.52 115.15 121.40 1sqa h HIS 177 Ca -0.46 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 57.77 1sqa h HIS 177 Cb 1.24 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 1sqa h HIS 177 CO 0.56 0.14 0.17 -0.09 -1.30 0.00 0.00 177.93 177.41 1sqa h ARG 178 N 0.53 0.35 -0.42 5.26 9.65 -1.97 0.18 114.38 127.94 1sqa h ARG 178 Ca 0.41 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 59.12 1sqa h ARG 178 Cb 0.56 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1sqa h ARG 178 CO -0.36 0.23 -0.29 1.49 2.80 0.00 0.00 179.97 183.85 1sqa h GLU 179 N 0.36 0.93 0.00 0.20 4.81 -1.89 -3.21 114.58 115.78 1sqa h GLU 179 Ca 0.13 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1sqa h GLU 179 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1sqa h GLU 179 CO -0.08 1.09 -0.19 0.00 -0.73 0.00 0.00 179.01 179.10 1sqa n GLN 181 N -3.20 0.92 -1.81 0.00 6.02 0.56 -0.87 117.38 119.00 1sqa n GLN 181 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1sqa n GLN 181 Cb 0.54 -1.31 0.04 0.00 1.02 0.00 0.00 30.24 30.52 1sqa n GLN 181 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqa s GLN 182 N -2.00 2.97 0.28 -1.09 -1.52 -1.06 -3.29 119.66 113.96 1sqa s GLN 182 Ca 0.27 1.26 0.03 0.00 -1.95 0.00 0.00 55.36 54.97 1sqa s GLN 182 Cb 0.13 -1.98 0.64 0.00 -0.22 0.00 0.00 33.01 31.57 1sqa s GLN 182 CO 0.21 -1.10 1.77 -1.00 -0.25 0.00 0.00 175.29 174.92 1sqa h PRO 183 N 0.02 0.67 0.00 2.91 0.13 -1.90 -1.79 132.00 132.03 1sqa h PRO 183 Ca -0.46 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1sqa h PRO 183 Cb 1.23 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1sqa h PRO 183 CO 0.55 0.44 -0.49 0.72 -0.23 0.00 0.00 178.00 179.00 1sqa n HIS 184 N -4.83 0.14 0.00 1.56 8.25 -1.26 -4.54 115.22 114.54 1sqa n HIS 184 Ca 0.20 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1sqa n HIS 184 Cb 0.51 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1sqa n HIS 184 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqa n TYR 185 N -1.65 0.00 -0.13 4.41 4.02 -0.93 -4.76 117.16 118.12 1sqa n TYR 185 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1sqa n TYR 185 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1sqa n TYR 185 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sqa n TYR 186 N 0.00 0.00 -4.54 -0.72 4.01 -0.05 -4.95 117.16 110.91 1sqa n TYR 186 Ca 0.00 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1sqa n TYR 186 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1sqa n TYR 186 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqa n GLY 187 N -0.35 1.02 0.00 2.72 0.00 -0.72 -1.75 105.19 106.11 1sqa n GLY 187 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1sqa n GLY 187 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqa n SER 188 N -3.09 0.00 0.25 1.61 7.64 -1.26 -3.66 113.62 115.11 1sqa n SER 188 Ca 0.00 -0.73 0.14 0.00 1.01 0.00 0.00 58.87 59.29 1sqa n SER 188 Cb 0.00 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 63.77 1sqa n SER 188 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1sqa h GLU 189 N 0.00 0.00 -5.35 1.43 5.08 -1.73 -3.41 114.58 110.59 1sqa h GLU 189 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1sqa h GLU 189 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1sqa h GLU 189 CO 0.00 0.10 -0.43 0.54 -1.00 0.00 0.00 179.01 178.22 1sqa s VAL 190 N -3.66 5.37 0.55 3.13 0.11 -1.24 -4.83 120.40 119.83 1sqa s VAL 190 Ca 0.01 0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 1sqa s VAL 190 Cb 0.09 -3.53 0.06 0.00 -1.53 0.00 0.00 36.38 31.48 1sqa s VAL 190 CO 0.59 0.42 0.60 0.42 -3.33 0.00 0.00 175.10 173.80 1sqa s THR 191 N 0.38 1.99 -1.57 5.04 -4.23 -1.26 -4.92 115.64 111.07 1sqa s THR 191 Ca 0.11 -1.22 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1sqa s THR 191 Cb -0.12 -2.21 0.57 0.00 1.34 0.00 0.00 72.50 72.08 1sqa s THR 191 CO 0.00 0.00 1.97 0.35 -0.54 0.00 0.00 174.62 176.40 1sqa n THR 192 N -2.00 0.08 1.62 3.99 -2.24 -1.26 -2.08 114.28 112.40 1sqa n THR 192 Ca 0.08 0.02 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 1sqa n THR 192 Cb 0.63 -0.57 0.68 0.00 -2.10 0.00 0.00 70.33 68.97 1sqa n THR 192 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sqa n LYS 193 N -1.21 1.17 -4.67 -0.78 5.02 -1.26 -4.91 118.16 111.51 1sqa n LYS 193 Ca 0.15 -0.45 -0.24 0.00 -2.02 0.00 0.00 58.31 55.75 1sqa n LYS 193 Cb 0.19 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 1sqa n LYS 193 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sqa s MET 194 N -2.14 1.28 -0.08 1.97 -1.94 -0.88 -2.03 119.30 115.48 1sqa s MET 194 Ca 0.38 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1sqa s MET 194 Cb 0.21 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 1sqa s MET 194 CO 0.39 0.34 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.13 1sqa s LEU 195 N -0.72 2.98 -0.12 -0.03 1.43 0.92 -4.81 118.68 118.33 1sqa s LEU 195 Ca 0.06 -0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1sqa s LEU 195 Cb -0.07 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1sqa s LEU 195 CO 0.00 0.31 0.11 0.00 0.23 0.00 0.00 176.35 177.00 1sqa s ALA 197 N -0.92 -0.33 0.28 0.00 0.00 -0.20 -0.72 121.76 119.86 1sqa s ALA 197 Ca 0.14 0.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 1sqa s ALA 197 Cb -0.12 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.90 1sqa s ALA 197 CO 0.03 -0.09 0.88 0.00 0.00 0.00 0.00 175.76 176.58 1sqa s ALA 198 N -0.21 -1.20 -0.18 0.00 0.00 -0.17 -1.87 121.76 118.12 1sqa s ALA 198 Ca -0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.25 1sqa s ALA 198 Cb -0.02 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1sqa s ALA 198 CO 0.00 -1.03 0.78 0.34 0.00 0.00 0.00 175.76 175.85 1sqa s ASP 199 N -3.14 6.88 0.54 0.00 2.15 -1.26 -0.22 116.67 121.63 1sqa s ASP 199 Ca 0.16 1.08 0.26 0.00 0.43 0.00 0.00 52.55 54.48 1sqa s ASP 199 Cb -0.04 -2.43 1.44 0.00 -0.30 0.00 0.00 42.92 41.59 1sqa s ASP 199 CO 0.08 -0.37 2.00 -0.65 -0.17 0.00 0.00 175.17 176.06 1sqa h PRO 200 N 7.38 0.00 -0.66 4.34 0.11 -1.95 0.59 132.00 141.81 1sqa h PRO 200 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sqa h PRO 200 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sqa h PRO 200 CO 0.82 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 1sqa n GLN 201 N -4.24 2.78 -4.17 1.05 1.13 -1.26 -4.97 117.38 107.70 1sqa n GLN 201 Ca 0.08 -2.45 -0.35 0.00 -1.94 0.00 0.00 57.00 52.34 1sqa n GLN 201 Cb 0.56 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 1sqa n GLN 201 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1sqa n TRP 202 N 1.35 -1.83 0.30 1.08 7.02 0.21 -4.83 117.44 120.73 1sqa n TRP 202 Ca 0.23 0.82 0.07 0.00 -1.02 0.00 0.00 57.50 57.59 1sqa n TRP 202 Cb 0.63 -3.14 -0.09 0.00 -2.42 0.00 0.00 31.31 26.29 1sqa n TRP 202 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sqa n LYS 203 N -4.43 1.46 -4.00 -0.99 4.76 -1.26 -4.71 118.16 108.99 1sqa n LYS 203 Ca 0.06 -0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1sqa n LYS 203 Cb 0.50 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 1sqa n LYS 203 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1sqa s THR 204 N -2.62 0.15 -0.13 -0.18 -1.32 -1.26 -4.30 115.64 105.97 1sqa s THR 204 Ca -0.00 -1.25 -0.34 0.00 -1.21 0.00 0.00 61.69 58.89 1sqa s THR 204 Cb 0.09 -0.87 0.13 0.00 -1.51 0.00 0.00 72.50 70.35 1sqa s THR 204 CO 0.56 -0.69 1.24 -0.62 -2.21 0.00 0.00 174.62 172.90 1sqa s ASP 205 N -2.14 -0.11 0.71 8.08 2.15 -1.08 -4.10 116.67 120.18 1sqa s ASP 205 Ca -0.05 -0.05 -0.11 0.00 0.43 0.00 0.00 52.55 52.77 1sqa s ASP 205 Cb -0.01 0.15 0.02 0.00 -0.30 0.00 0.00 42.92 42.77 1sqa s ASP 205 CO -0.05 -0.26 1.10 -0.94 -0.17 0.00 0.00 175.17 174.85 1sqa s SER 206 N -2.46 5.41 0.23 -0.34 1.04 -1.26 -1.22 113.70 115.11 1sqa s SER 206 Ca 0.11 1.13 -0.16 0.00 0.48 0.00 0.00 55.95 57.51 1sqa s SER 206 Cb 0.01 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.22 1sqa s SER 206 CO -0.04 -1.36 0.54 0.00 0.98 0.00 0.00 173.24 173.35 1sqa n GLN 208 N -0.38 0.00 0.00 0.00 7.27 -1.26 -1.16 117.38 121.85 1sqa n GLN 208 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1sqa n GLN 208 Cb 0.61 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 32.19 1sqa n GLN 208 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sqa n GLY 209 N 1.40 3.16 0.04 1.69 0.00 -1.26 -0.88 105.19 109.33 1sqa n GLY 209 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1sqa n GLY 209 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqa n ASP 210 N 0.10 0.44 -4.62 1.61 8.00 -0.31 -3.58 116.55 118.20 1sqa n ASP 210 Ca 0.00 -0.19 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 1sqa n ASP 210 Cb 0.00 0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1sqa n ASP 210 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sqa n SER 211 N -1.35 1.03 0.00 -2.24 7.64 -1.26 -2.35 113.62 115.09 1sqa n SER 211 Ca 0.08 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1sqa n SER 211 Cb 0.33 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1sqa n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqa n GLY 212 N 1.23 2.81 3.82 0.23 0.00 -0.31 -1.69 105.19 111.27 1sqa n GLY 212 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1sqa n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqa s GLY 213 N -1.68 1.63 0.31 -0.02 0.00 -0.99 -3.65 107.32 102.92 1sqa s GLY 213 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1sqa s GLY 213 CO 0.00 -0.13 1.11 2.56 0.00 0.00 0.00 173.10 176.64 1sqa s PRO 214 N -5.50 4.51 -0.31 2.90 0.04 -1.26 -0.83 135.00 134.55 1sqa s PRO 214 Ca 0.66 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 1sqa s PRO 214 Cb -0.11 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.43 1sqa s PRO 214 CO 0.53 0.10 0.01 -1.17 0.04 0.00 0.00 177.00 176.51 1sqa s LEU 215 N -1.71 4.00 -0.21 -3.56 2.96 -0.58 -4.12 118.68 115.46 1sqa s LEU 215 Ca 0.47 -1.35 -0.07 0.00 -0.22 0.00 0.00 54.13 52.97 1sqa s LEU 215 Cb -0.31 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1sqa s LEU 215 CO 0.40 -0.28 0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 1sqa s VAL 216 N 1.23 4.53 -0.07 1.68 1.01 -0.09 -1.36 120.40 127.34 1sqa s VAL 216 Ca -0.04 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1sqa s VAL 216 Cb -0.20 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1sqa s VAL 216 CO -0.02 0.40 -0.23 0.00 0.00 0.00 0.00 175.10 175.26 1sqa s SER 218 N -0.10 6.78 -0.08 0.00 0.15 -1.26 -1.11 113.70 118.08 1sqa s SER 218 Ca -0.05 0.81 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 1sqa s SER 218 Cb -0.14 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1sqa s SER 218 CO 0.04 -0.78 -0.01 -0.22 1.20 0.00 0.00 173.24 173.47 1sqa s LEU 219 N 3.37 0.71 -1.56 3.45 2.96 0.20 -4.74 118.68 123.06 1sqa s LEU 219 Ca 0.39 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1sqa s LEU 219 Cb -0.13 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.05 1sqa s LEU 219 CO 0.15 -0.18 0.44 0.00 -1.32 0.00 0.00 176.35 175.44 1sqa n GLN 220 N 5.11 -3.95 -1.12 1.98 6.02 -1.26 -1.66 117.38 122.49 1sqa n GLN 220 Ca -0.08 0.91 -0.04 0.00 -0.01 0.00 0.00 57.00 57.77 1sqa n GLN 220 Cb 0.50 -5.66 -0.02 0.00 1.02 0.00 0.00 30.24 26.08 1sqa n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqa n GLY 221 N -1.38 0.70 3.23 1.08 0.00 -1.26 -5.02 105.19 102.54 1sqa n GLY 221 Ca -0.14 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 1sqa n GLY 221 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqa s ARG 222 N -1.96 1.95 0.21 1.61 3.52 -0.67 -5.11 118.95 118.50 1sqa s ARG 222 Ca 0.00 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.52 1sqa s ARG 222 Cb 0.00 -1.80 -0.08 0.00 -1.56 0.00 0.00 34.95 31.51 1sqa s ARG 222 CO 0.00 0.42 1.08 -1.64 -0.81 0.00 0.00 175.30 174.35 1sqa s MET 223 N -0.35 4.64 -0.01 5.12 -1.94 -1.26 -0.63 119.30 124.87 1sqa s MET 223 Ca 0.04 1.71 0.03 0.00 -1.71 0.00 0.00 55.69 55.76 1sqa s MET 223 Cb -0.10 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 1sqa s MET 223 CO 0.01 0.17 -0.11 0.99 -0.01 0.00 0.00 175.02 176.07 1sqa s THR 224 N -0.59 0.84 -1.13 2.05 2.01 -0.26 -4.31 115.64 114.25 1sqa s THR 224 Ca 0.47 -0.45 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 1sqa s THR 224 Cb -0.29 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1sqa s THR 224 CO 0.36 0.24 1.71 -0.22 -0.69 0.00 0.00 174.62 176.01 1sqa s LEU 225 N -0.24 3.50 0.13 4.42 2.96 -0.02 -1.97 118.68 127.46 1sqa s LEU 225 Ca 0.04 -1.73 -0.06 0.00 -0.22 0.00 0.00 54.13 52.16 1sqa s LEU 225 Cb -0.04 -2.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.98 1sqa s LEU 225 CO -0.00 -1.83 1.31 0.74 -1.32 0.00 0.00 176.35 175.25 1sqa h THR 226 N 6.33 1.36 -4.10 3.68 2.02 -1.55 -3.40 112.91 117.26 1sqa h THR 226 Ca 0.28 -2.31 -0.14 0.00 0.77 0.00 0.00 66.41 65.01 1sqa h THR 226 Cb 0.95 2.31 -0.13 0.00 -1.74 0.00 0.00 68.15 69.53 1sqa h THR 226 CO 1.37 0.70 -0.41 -0.83 0.37 0.00 0.00 175.52 176.72 1sqa s GLY 227 N -4.35 0.78 -0.12 2.16 0.00 -0.95 -2.51 107.32 102.33 1sqa s GLY 227 Ca -0.07 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1sqa s GLY 227 CO 0.87 -1.02 -0.17 -0.42 0.00 0.00 0.00 173.10 172.36 1sqa s ILE 228 N -4.03 2.63 0.09 0.90 -1.09 -1.02 -1.53 121.20 117.15 1sqa s ILE 228 Ca 0.24 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.53 1sqa s ILE 228 Cb 0.04 -2.07 -0.10 0.00 -1.58 0.00 0.00 42.46 38.75 1sqa s ILE 228 CO 0.04 0.54 1.87 0.52 -1.23 0.00 0.00 174.94 176.68 1sqa n VAL 229 N 3.58 0.48 0.01 2.92 0.31 -0.01 -2.09 118.33 123.54 1sqa n VAL 229 Ca -0.19 -0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1sqa n VAL 229 Cb 0.53 -2.14 -0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1sqa n VAL 229 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sqa n SER 230 N 6.17 0.28 -3.47 4.52 2.88 -0.95 -1.16 113.62 121.90 1sqa n SER 230 Ca 0.19 0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 1sqa n SER 230 Cb 0.37 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1sqa n SER 230 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sqa s TRP 231 N -1.25 0.65 0.00 0.66 1.48 -0.72 -4.91 118.94 114.84 1sqa s TRP 231 Ca -0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 56.10 54.03 1sqa s TRP 231 Cb 0.00 0.17 0.00 0.00 -1.16 0.00 0.00 33.47 32.48 1sqa s TRP 231 CO 0.00 -1.16 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1sqa n GLY 232 N -0.49 1.42 3.60 3.67 0.00 -1.26 0.30 105.19 112.44 1sqa n GLY 232 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1sqa n GLY 232 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqa s ARG 233 N -1.92 3.77 1.70 1.61 6.06 -1.26 -4.89 118.95 124.02 1sqa s ARG 233 Ca 0.00 0.63 0.00 0.00 -2.50 0.00 0.00 55.73 53.86 1sqa s ARG 233 Cb 0.00 -3.88 0.00 0.00 0.06 0.00 0.00 34.95 31.13 1sqa s ARG 233 CO 0.00 -1.28 0.00 0.41 -2.50 0.00 0.00 175.30 171.93 1sqa n GLY 234 N 4.68 -1.36 2.76 8.12 0.00 -1.26 -4.60 105.19 113.53 1sqa n GLY 234 Ca 0.12 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1sqa n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqa n ALA 236 N 5.25 -1.46 -2.31 0.00 0.00 -1.26 -4.85 120.51 115.88 1sqa n ALA 236 Ca -0.05 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 1sqa n ALA 236 Cb 0.50 -3.95 -0.06 0.00 0.00 0.00 0.00 19.45 15.94 1sqa n ALA 236 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqa s LEU 237 N -7.15 4.29 0.05 0.00 1.43 -1.26 -4.73 118.68 111.31 1sqa s LEU 237 Ca 0.50 1.12 -0.37 0.00 -1.03 0.00 0.00 54.13 54.36 1sqa s LEU 237 Cb -0.25 -3.45 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 1sqa s LEU 237 CO 0.82 0.04 1.44 1.17 0.23 0.00 0.00 176.35 180.05 1sqa n LYS 238 N 0.54 1.35 -2.82 1.70 4.81 -1.26 -2.76 118.16 119.72 1sqa n LYS 238 Ca -0.03 0.49 -0.19 0.00 -0.87 0.00 0.00 58.31 57.70 1sqa n LYS 238 Cb 0.52 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1sqa n LYS 238 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sqa n ASP 239 N 3.13 -4.80 -3.63 3.14 8.00 -1.26 -4.95 116.55 116.18 1sqa n ASP 239 Ca 0.19 -0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 1sqa n ASP 239 Cb 0.20 -3.97 -0.11 0.00 -0.02 0.00 0.00 41.12 37.22 1sqa n ASP 239 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sqa s LYS 240 N -5.46 1.63 0.85 -1.24 -0.14 -1.11 -3.95 119.74 110.32 1sqa s LYS 240 Ca 0.18 -2.67 -0.12 0.00 -1.36 0.00 0.00 55.97 51.99 1sqa s LYS 240 Cb -0.09 -2.36 0.10 0.00 -1.68 0.00 0.00 37.83 33.80 1sqa s LYS 240 CO 0.22 -1.34 1.13 -2.30 -0.76 0.00 0.00 175.35 172.31 1sqa n PRO 241 N 2.46 -0.03 -1.87 -1.68 -0.02 -1.26 -4.53 135.00 128.07 1sqa n PRO 241 Ca 0.25 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 1sqa n PRO 241 Cb 0.42 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1sqa n PRO 241 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sqa s GLY 242 N -2.25 2.91 -0.02 -1.23 0.00 -0.78 -4.44 107.32 101.50 1sqa s GLY 242 Ca 0.70 1.37 0.08 0.00 0.00 0.00 0.00 44.72 46.87 1sqa s GLY 242 CO 0.54 1.95 -0.25 0.14 0.00 0.00 0.00 173.10 175.48 1sqa s VAL 243 N -1.25 2.15 0.03 1.40 1.01 0.15 -1.03 120.40 122.86 1sqa s VAL 243 Ca 0.62 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1sqa s VAL 243 Cb -0.41 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1sqa s VAL 243 CO 0.52 0.57 -0.11 -0.31 0.00 0.00 0.00 175.10 175.78 1sqa s TYR 244 N -0.63 0.93 0.07 5.22 2.02 0.11 -1.76 117.35 123.31 1sqa s TYR 244 Ca 0.10 -0.36 -0.31 0.00 -0.37 0.00 0.00 57.07 56.14 1sqa s TYR 244 Cb -0.10 -0.55 -0.08 0.00 -0.40 0.00 0.00 41.96 40.82 1sqa s TYR 244 CO -0.01 -0.01 1.61 0.99 -1.57 0.00 0.00 175.55 176.57 1sqa s THR 245 N -0.92 3.08 -0.77 -0.71 2.01 -0.89 -0.06 115.64 117.38 1sqa s THR 245 Ca -0.02 0.55 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 1sqa s THR 245 Cb -0.08 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.12 1sqa s THR 245 CO 0.01 0.00 1.23 -0.60 -0.69 0.00 0.00 174.62 174.57 1sqa s ARG 246 N 2.46 3.25 0.42 4.92 3.52 -0.86 -2.42 118.95 130.24 1sqa s ARG 246 Ca 0.72 -0.58 0.16 0.00 -0.13 0.00 0.00 55.73 55.90 1sqa s ARG 246 Cb -0.39 -4.41 1.04 0.00 -1.56 0.00 0.00 34.95 29.63 1sqa s ARG 246 CO 0.32 -2.07 1.89 0.28 -0.81 0.00 0.00 175.30 174.91 1sqa h VAL 247 N 6.13 0.76 0.00 7.11 2.07 -1.77 -1.86 116.25 128.69 1sqa h VAL 247 Ca -0.19 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1sqa h VAL 247 Cb 1.05 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1sqa h VAL 247 CO 1.27 0.08 0.00 0.77 0.02 0.00 0.00 177.57 179.71 1sqa h SER 248 N 0.44 0.00 1.40 0.57 4.64 -1.88 0.33 113.55 119.06 1sqa h SER 248 Ca 0.41 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.69 1sqa h SER 248 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1sqa h SER 248 CO -0.15 0.00 -0.61 -0.74 -0.87 0.00 0.00 176.83 174.46 1sqa h HIS 249 N 0.00 0.00 -0.56 4.77 6.17 -1.71 -3.33 115.15 120.49 1sqa h HIS 249 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1sqa h HIS 249 Cb 0.01 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.94 1sqa h HIS 249 CO 0.00 0.17 0.00 1.19 0.71 0.00 0.00 177.93 180.00 1sqa n PHE 250 N -2.96 1.85 -0.24 5.26 3.01 0.12 -4.55 117.46 119.95 1sqa n PHE 250 Ca 0.00 -0.72 -0.07 0.00 1.01 0.00 0.00 57.45 57.67 1sqa n PHE 250 Cb 0.62 -0.44 0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1sqa n PHE 250 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1sqa h LEU 251 N 3.79 0.95 -0.34 4.37 3.38 -1.66 0.21 115.31 126.00 1sqa h LEU 251 Ca 0.00 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1sqa h LEU 251 Cb 1.83 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 1sqa h LEU 251 CO 0.42 0.87 -0.02 -0.65 0.09 0.00 0.00 178.44 179.15 1sqa h PRO 252 N 0.97 0.07 -0.74 1.13 0.11 -1.89 -1.58 132.00 130.06 1sqa h PRO 252 Ca 0.22 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1sqa h PRO 252 Cb 0.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1sqa h PRO 252 CO -0.02 0.05 0.34 2.35 -0.21 0.00 0.00 178.00 180.52 1sqa h TRP 253 N 0.07 1.09 -0.28 0.65 7.01 -1.52 -2.58 115.95 120.38 1sqa h TRP 253 Ca 0.17 -0.06 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 1sqa h TRP 253 Cb 0.23 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1sqa h TRP 253 CO -0.26 0.81 -0.10 0.82 -2.79 0.00 0.00 178.44 176.92 1sqa h ILE 254 N 1.05 1.29 0.00 2.65 2.04 -0.60 -2.08 117.51 121.86 1sqa h ILE 254 Ca 0.25 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.84 1sqa h ILE 254 Cb 0.14 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1sqa h ILE 254 CO -0.03 0.37 -0.57 -0.09 0.00 0.00 0.00 178.15 177.83 1sqa h ARG 255 N 0.32 0.00 0.09 2.37 2.43 -1.25 -2.37 114.38 115.96 1sqa h ARG 255 Ca 0.07 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.99 1sqa h ARG 255 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1sqa h ARG 255 CO 0.03 0.57 -1.16 1.03 -1.51 0.00 0.00 179.97 178.93 1sqa h SER 256 N 0.00 0.28 -0.11 -3.80 0.87 -1.32 -3.08 113.55 106.39 1sqa h SER 256 Ca -0.01 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1sqa h SER 256 Cb 1.02 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1sqa h SER 256 CO 0.07 1.24 0.00 1.41 -0.53 0.00 0.00 176.83 179.02 1sqa n HIS 257 N -3.47 0.14 0.53 2.24 8.25 -0.79 -5.12 115.22 116.99 1sqa n HIS 257 Ca -0.06 -0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1sqa n HIS 257 Cb 1.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.16 1sqa n HIS 257 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23