#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb n GLY 16 N 0.00 1.75 3.82 0.00 0.00 -1.26 -4.90 105.19 104.60 1sqb n GLY 16 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1sqb n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqb s VAL 17 N 0.18 4.32 0.64 1.61 -7.23 -1.26 -5.10 120.40 113.57 1sqb s VAL 17 Ca 0.00 1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 61.57 1sqb s VAL 17 Cb 0.00 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1sqb s VAL 17 CO 0.00 -0.30 0.96 -2.16 -0.31 0.00 0.00 175.10 173.29 1sqb s PRO 18 N -3.15 2.65 0.45 4.82 0.05 -1.26 -5.07 135.00 133.50 1sqb s PRO 18 Ca 0.62 -0.07 -0.24 0.00 0.05 0.00 0.00 61.00 61.36 1sqb s PRO 18 Cb -0.10 -2.22 -0.08 0.00 0.05 0.00 0.00 34.50 32.16 1sqb s PRO 18 CO 0.14 -0.92 1.30 -1.25 0.05 0.00 0.00 177.00 176.32 1sqb s PRO 19 N -5.11 3.73 0.06 0.56 0.04 -1.26 -4.97 135.00 128.05 1sqb s PRO 19 Ca 0.56 2.12 -0.33 0.00 0.04 0.00 0.00 61.00 63.39 1sqb s PRO 19 Cb -0.11 -2.58 -0.12 0.00 0.04 0.00 0.00 34.50 31.73 1sqb s PRO 19 CO 0.45 -0.68 1.75 0.72 0.04 0.00 0.00 177.00 179.28 1sqb n HIS 20 N -0.26 2.36 -2.16 0.56 8.25 -1.26 -4.92 115.22 117.79 1sqb n HIS 20 Ca 0.06 0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 1sqb n HIS 20 Cb 0.45 -2.63 -0.03 0.00 1.12 0.00 0.00 29.99 28.90 1sqb n HIS 20 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1sqb s PRO 21 N 2.51 4.33 0.72 -0.41 0.04 -1.26 -5.02 135.00 135.92 1sqb s PRO 21 Ca 0.85 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.87 1sqb s PRO 21 Cb -0.64 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.70 1sqb s PRO 21 CO 0.43 -0.39 1.08 -0.65 0.04 0.00 0.00 177.00 177.51 1sqb s GLN 22 N 0.63 2.66 0.23 4.56 -1.52 -1.26 -5.07 119.66 119.88 1sqb s GLN 22 Ca 0.62 1.09 -0.03 0.00 -1.95 0.00 0.00 55.36 55.10 1sqb s GLN 22 Cb -0.37 -1.95 -0.05 0.00 -0.22 0.00 0.00 33.01 30.42 1sqb s GLN 22 CO 0.34 -1.33 0.45 -0.51 -0.25 0.00 0.00 175.29 173.99 1sqb s ASP 23 N -3.47 6.42 0.28 5.90 1.01 -1.26 -4.92 116.67 120.62 1sqb s ASP 23 Ca 0.60 0.53 -0.29 0.00 0.71 0.00 0.00 52.55 54.10 1sqb s ASP 23 Cb -0.16 -2.06 -0.10 0.00 1.01 0.00 0.00 42.92 41.61 1sqb s ASP 23 CO 0.53 -0.09 1.33 -0.22 0.21 0.00 0.00 175.17 176.93 1sqb s LEU 24 N -3.34 4.42 -0.26 1.23 0.20 -1.26 -4.68 118.68 114.99 1sqb s LEU 24 Ca 0.41 2.60 -0.08 0.00 0.69 0.00 0.00 54.13 57.75 1sqb s LEU 24 Cb -0.11 -3.63 -0.03 0.00 -0.43 0.00 0.00 46.19 41.99 1sqb s LEU 24 CO 0.29 -0.55 0.08 -1.61 -0.29 0.00 0.00 176.35 174.26 1sqb s GLU 25 N -1.05 3.63 -0.05 1.98 0.41 0.31 -4.96 118.70 118.96 1sqb s GLU 25 Ca 0.53 -0.50 0.06 0.00 -0.41 0.00 0.00 54.97 54.65 1sqb s GLU 25 Cb -0.39 -3.35 -0.01 0.00 -1.78 0.00 0.00 34.13 28.60 1sqb s GLU 25 CO 0.47 -0.21 -0.24 0.12 -0.49 0.00 0.00 175.26 174.91 1sqb s PHE 26 N 1.62 2.45 -0.12 1.61 5.36 -1.26 -1.35 117.98 126.29 1sqb s PHE 26 Ca 0.06 -0.63 -0.05 0.00 -0.96 0.00 0.00 56.93 55.36 1sqb s PHE 26 Cb -0.15 -1.59 0.06 0.00 -0.34 0.00 0.00 43.02 40.99 1sqb s PHE 26 CO 0.04 -0.15 0.25 0.99 -1.46 0.00 0.00 175.22 174.88 1sqb s THR 27 N -0.27 -0.32 -0.35 0.12 2.01 0.59 -5.01 115.64 112.41 1sqb s THR 27 Ca -0.00 0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1sqb s THR 27 Cb -0.13 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1sqb s THR 27 CO 0.03 0.11 0.47 -0.13 -0.69 0.00 0.00 174.62 174.41 1sqb s ARG 28 N 2.17 3.58 0.46 4.92 0.52 -1.26 -0.52 118.95 128.83 1sqb s ARG 28 Ca -0.01 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1sqb s ARG 28 Cb -0.12 -3.81 -0.08 0.00 0.52 0.00 0.00 34.95 31.46 1sqb s ARG 28 CO -0.08 -0.62 1.07 -0.51 0.02 0.00 0.00 175.30 175.18 1sqb s LEU 29 N 2.29 3.95 0.58 2.53 1.43 0.63 -4.96 118.68 125.13 1sqb s LEU 29 Ca 0.17 2.05 0.28 0.00 -1.03 0.00 0.00 54.13 55.60 1sqb s LEU 29 Cb -0.16 -4.40 1.59 0.00 0.03 0.00 0.00 46.19 43.26 1sqb s LEU 29 CO 0.13 -0.77 2.05 1.55 0.23 0.00 0.00 176.35 179.54 1sqb h PRO 30 N 1.88 0.00 0.00 1.29 0.13 -1.98 -1.67 132.00 131.66 1sqb h PRO 30 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sqb h PRO 30 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sqb h PRO 30 CO 0.60 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.64 1sqb n ASN 31 N -3.83 0.00 0.00 1.44 6.94 -1.26 -4.88 115.26 113.67 1sqb n ASN 31 Ca 0.03 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 1sqb n ASN 31 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 1sqb n ASN 31 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sqb n GLY 32 N 0.78 3.02 3.76 4.83 0.00 -0.63 -3.58 105.19 113.37 1sqb n GLY 32 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1sqb n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqb s LEU 33 N 0.00 4.43 -0.11 0.99 2.96 -1.15 -4.63 118.68 121.16 1sqb s LEU 33 Ca 0.00 2.63 -0.04 0.00 -0.22 0.00 0.00 54.13 56.50 1sqb s LEU 33 Cb 0.00 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1sqb s LEU 33 CO 0.00 -0.53 0.03 -0.69 -1.32 0.00 0.00 176.35 173.84 1sqb s VAL 34 N -0.86 4.58 -0.11 1.68 1.01 -1.16 -0.27 120.40 125.27 1sqb s VAL 34 Ca 0.51 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1sqb s VAL 34 Cb -0.39 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1sqb s VAL 34 CO 0.49 0.57 -0.17 -0.63 0.00 0.00 0.00 175.10 175.37 1sqb s ILE 35 N -0.59 1.63 -0.01 2.22 1.01 0.33 -0.51 121.20 125.28 1sqb s ILE 35 Ca 0.10 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1sqb s ILE 35 Cb -0.12 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 1sqb s ILE 35 CO 0.02 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.35 1sqb s ALA 36 N 0.87 0.67 -0.00 9.38 0.00 -0.53 -0.30 121.76 131.84 1sqb s ALA 36 Ca -0.08 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 1sqb s ALA 36 Cb -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1sqb s ALA 36 CO -0.00 0.14 0.25 -1.54 0.00 0.00 0.00 175.76 174.60 1sqb s SER 37 N -0.04 -0.10 -0.07 0.00 1.04 -0.46 -0.33 113.70 113.75 1sqb s SER 37 Ca 0.01 -0.06 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 1sqb s SER 37 Cb -0.05 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.39 1sqb s SER 37 CO -0.00 -0.44 0.04 -0.22 0.98 0.00 0.00 173.24 173.60 1sqb s LEU 38 N -1.45 0.34 -0.95 2.42 0.20 -0.82 -0.53 118.68 117.89 1sqb s LEU 38 Ca -0.13 -0.08 -0.21 0.00 0.69 0.00 0.00 54.13 54.40 1sqb s LEU 38 Cb -0.05 -0.26 0.09 0.00 -0.43 0.00 0.00 46.19 45.53 1sqb s LEU 38 CO 0.02 -0.25 1.26 -0.70 -0.29 0.00 0.00 176.35 176.40 1sqb s GLU 39 N 2.09 3.56 0.00 1.98 2.56 -1.26 -1.98 118.70 125.65 1sqb s GLU 39 Ca 0.04 -1.39 0.26 0.00 0.00 0.00 0.00 54.97 53.89 1sqb s GLU 39 Cb -0.13 -5.05 0.76 0.00 2.00 0.00 0.00 34.13 31.72 1sqb s GLU 39 CO -0.04 -1.98 1.57 0.27 -0.56 0.00 0.00 175.26 174.52 1sqb n ASN 40 N 7.71 1.28 -1.35 -1.70 6.94 -1.26 -4.40 115.26 122.48 1sqb n ASN 40 Ca 0.26 -1.13 -0.17 0.00 -0.02 0.00 0.00 54.58 53.52 1sqb n ASN 40 Cb 0.50 0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.97 1sqb n ASN 40 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1sqb n TYR 41 N -0.33 -0.04 -2.08 -2.53 4.01 -1.26 -4.99 117.16 109.95 1sqb n TYR 41 Ca 0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 1sqb n TYR 41 Cb 0.37 -2.98 0.02 0.00 -0.31 0.00 0.00 39.34 36.43 1sqb n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sqb s ALA 42 N -2.65 2.74 0.45 -0.72 0.00 -1.26 -4.95 121.76 115.37 1sqb s ALA 42 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 51.96 53.10 1sqb s ALA 42 Cb 0.00 -3.44 1.00 0.00 0.00 0.00 0.00 23.12 20.68 1sqb s ALA 42 CO 0.00 -1.00 2.05 -1.35 0.00 0.00 0.00 175.76 175.47 1sqb h PRO 43 N 1.38 0.24 -6.17 0.00 0.11 -1.99 -3.44 132.00 122.12 1sqb h PRO 43 Ca -0.50 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.08 1sqb h PRO 43 Cb 1.28 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1sqb h PRO 43 CO 0.57 0.22 -0.47 0.00 -0.21 0.00 0.00 178.00 178.11 1sqb s ALA 44 N -5.10 3.75 0.17 -0.75 0.00 -1.26 -2.30 121.76 116.27 1sqb s ALA 44 Ca -0.06 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.31 1sqb s ALA 44 Cb 0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1sqb s ALA 44 CO 0.71 0.02 -0.20 -1.12 0.00 0.00 0.00 175.76 175.17 1sqb s SER 45 N -3.96 2.90 -0.06 0.00 0.01 0.34 -4.68 113.70 108.25 1sqb s SER 45 Ca 0.40 -0.85 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 1sqb s SER 45 Cb -0.05 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.03 1sqb s SER 45 CO 0.26 0.02 0.12 -0.60 0.41 0.00 0.00 173.24 173.45 1sqb s ARG 46 N -2.69 0.03 -0.07 12.44 3.52 -0.22 -2.04 118.95 129.92 1sqb s ARG 46 Ca 0.17 0.41 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1sqb s ARG 46 Cb -0.07 -0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.08 1sqb s ARG 46 CO 0.07 -0.23 -0.10 0.42 -0.81 0.00 0.00 175.30 174.65 1sqb s ILE 47 N 1.66 0.98 -0.08 4.11 1.01 -0.51 0.19 121.20 128.57 1sqb s ILE 47 Ca -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1sqb s ILE 47 Cb -0.12 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1sqb s ILE 47 CO -0.05 0.33 -0.17 -0.83 0.00 0.00 0.00 174.94 174.21 1sqb s GLY 48 N 0.87 1.02 -0.41 6.18 0.00 0.49 -0.15 107.32 115.32 1sqb s GLY 48 Ca -0.11 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1sqb s GLY 48 CO 0.01 -0.07 0.28 -2.27 0.00 0.00 0.00 173.10 171.06 1sqb s LEU 49 N 0.53 5.04 -0.21 0.66 2.96 -0.12 -0.34 118.68 127.20 1sqb s LEU 49 Ca -0.16 -0.98 -0.12 0.00 -0.22 0.00 0.00 54.13 52.65 1sqb s LEU 49 Cb -0.17 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1sqb s LEU 49 CO 0.06 -0.45 0.22 -0.36 -1.32 0.00 0.00 176.35 174.50 1sqb s PHE 50 N 1.63 3.38 -0.05 5.38 0.40 0.02 -0.89 117.98 127.85 1sqb s PHE 50 Ca 0.04 0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1sqb s PHE 50 Cb -0.20 -2.30 -0.00 0.00 0.51 0.00 0.00 43.02 41.03 1sqb s PHE 50 CO 0.09 0.14 -0.19 0.42 0.70 0.00 0.00 175.22 176.38 1sqb s ILE 51 N 0.82 1.56 -0.94 0.64 1.01 0.24 -1.05 121.20 123.47 1sqb s ILE 51 Ca 0.11 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 1sqb s ILE 51 Cb -0.13 -1.34 -0.11 0.00 0.01 0.00 0.00 42.46 40.90 1sqb s ILE 51 CO 0.03 0.44 2.02 0.29 0.00 0.00 0.00 174.94 177.73 1sqb n LYS 52 N 3.15 1.87 -0.62 2.79 5.02 0.04 0.13 118.16 130.55 1sqb n LYS 52 Ca -0.18 -1.98 0.01 0.00 -2.02 0.00 0.00 58.31 54.14 1sqb n LYS 52 Cb 0.53 -2.96 0.01 0.00 -0.02 0.00 0.00 35.03 32.59 1sqb n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sqb n ALA 53 N 6.86 2.07 -0.61 7.82 0.00 -1.14 -4.91 120.51 130.61 1sqb n ALA 53 Ca 0.50 -1.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 1sqb n ALA 53 Cb 0.38 -0.53 0.27 0.00 0.00 0.00 0.00 19.45 19.57 1sqb n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sqb s GLY 54 N -1.23 1.47 0.54 0.00 0.00 -0.25 -4.68 107.32 103.17 1sqb s GLY 54 Ca 0.06 -0.83 0.28 0.00 0.00 0.00 0.00 44.72 44.23 1sqb s GLY 54 CO -0.02 0.13 1.95 1.48 0.00 0.00 0.00 173.10 176.64 1sqb h SER 55 N -3.13 0.00 0.13 1.64 4.64 -1.45 -2.50 113.55 112.88 1sqb h SER 55 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1sqb h SER 55 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1sqb h SER 55 CO 0.31 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.16 1sqb n ARG 56 N -4.29 0.06 -0.09 4.77 1.85 -0.53 -1.84 116.66 116.60 1sqb n ARG 56 Ca 0.13 0.51 0.12 0.00 -1.00 0.00 0.00 57.85 57.60 1sqb n ARG 56 Cb 0.73 -1.68 0.25 0.00 -1.05 0.00 0.00 32.46 30.71 1sqb n ARG 56 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1sqb n TYR 57 N -1.81 0.23 -2.72 2.89 4.01 -0.94 -4.70 117.16 114.12 1sqb n TYR 57 Ca 0.00 -0.12 -0.33 0.00 -0.16 0.00 0.00 57.90 57.30 1sqb n TYR 57 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1sqb n TYR 57 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1sqb s GLU 58 N -1.77 4.13 0.41 -0.72 2.02 -0.76 -5.09 118.70 116.92 1sqb s GLU 58 Ca 0.34 1.04 0.05 0.00 0.02 0.00 0.00 54.97 56.42 1sqb s GLU 58 Cb 0.21 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 32.19 1sqb s GLU 58 CO 0.30 -0.09 0.02 0.54 0.02 0.00 0.00 175.26 176.06 1sqb s ASN 59 N -2.45 3.58 0.56 -0.19 2.20 -1.26 -4.97 114.94 112.41 1sqb s ASN 59 Ca 0.61 -1.43 0.27 0.00 -0.94 0.00 0.00 52.86 51.37 1sqb s ASN 59 Cb -0.09 -0.16 1.48 0.00 -2.00 0.00 0.00 41.25 40.47 1sqb s ASN 59 CO 0.19 -0.56 1.98 0.77 -2.94 0.00 0.00 177.10 176.53 1sqb h SER 60 N 1.77 0.00 1.67 3.54 4.64 -1.98 0.52 113.55 123.71 1sqb h SER 60 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1sqb h SER 60 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sqb h SER 60 CO 0.77 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.51 1sqb h ASN 61 N 0.00 0.00 -0.18 4.97 4.21 -2.04 -3.36 115.58 119.19 1sqb h ASN 61 Ca 0.22 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.54 1sqb h ASN 61 Cb 1.02 0.00 -0.33 0.00 -1.12 0.00 0.00 38.32 37.89 1sqb h ASN 61 CO -0.00 0.00 -0.95 -0.46 -1.29 0.00 0.00 177.43 174.73 1sqb n ASN 62 N -2.82 1.62 -4.71 5.81 6.94 0.14 -5.10 115.26 117.14 1sqb n ASN 62 Ca 0.04 -2.50 -0.43 0.00 -0.02 0.00 0.00 54.58 51.67 1sqb n ASN 62 Cb 0.46 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1sqb n ASN 62 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sqb n LEU 63 N -0.17 3.81 0.00 -4.53 4.32 -1.03 -2.51 117.00 116.89 1sqb n LEU 63 Ca 0.12 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.22 1sqb n LEU 63 Cb 0.97 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 1sqb n LEU 63 CO 0.03 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1sqb n GLY 64 N 2.92 0.84 0.31 -0.72 0.00 -1.26 -4.67 105.19 102.62 1sqb n GLY 64 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1sqb n GLY 64 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sqb h THR 65 N 0.00 1.18 0.00 2.61 2.02 -1.90 -1.73 112.91 115.08 1sqb h THR 65 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1sqb h THR 65 Cb 0.00 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1sqb h THR 65 CO 0.00 0.20 0.00 0.77 0.37 0.00 0.00 175.52 176.86 1sqb h SER 66 N 0.75 0.00 0.01 4.18 4.64 -1.92 -2.03 113.55 119.18 1sqb h SER 66 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1sqb h SER 66 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1sqb h SER 66 CO -0.03 0.00 -0.05 -0.74 -0.87 0.00 0.00 176.83 175.15 1sqb h HIS 67 N 0.00 0.03 -0.89 4.77 6.17 -1.61 -2.23 115.15 121.39 1sqb h HIS 67 Ca 0.00 -0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.12 1sqb h HIS 67 Cb 0.70 -0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.57 1sqb h HIS 67 CO 0.00 0.98 0.58 1.25 0.71 0.00 0.00 177.93 181.45 1sqb h LEU 68 N -0.93 0.89 -0.72 0.26 5.85 -1.39 -0.71 115.31 118.56 1sqb h LEU 68 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1sqb h LEU 68 Cb 1.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1sqb h LEU 68 CO 0.01 0.57 0.26 0.25 -0.34 0.00 0.00 178.44 179.20 1sqb h LEU 69 N 1.01 1.02 -0.89 2.25 6.46 -1.45 -0.90 115.31 122.82 1sqb h LEU 69 Ca 0.38 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1sqb h LEU 69 Cb 0.19 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1sqb h LEU 69 CO -0.14 0.93 0.58 -0.09 -0.62 0.00 0.00 178.44 179.10 1sqb h ARG 70 N 1.05 1.11 0.00 1.25 2.43 -0.53 -1.20 114.38 118.49 1sqb h ARG 70 Ca 0.24 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1sqb h ARG 70 Cb 0.25 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1sqb h ARG 70 CO -0.01 0.74 0.00 1.28 -1.51 0.00 0.00 179.97 180.46 1sqb n LEU 71 N -4.51 0.45 -1.05 3.80 4.77 -0.55 -4.00 117.00 115.92 1sqb n LEU 71 Ca 0.11 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.73 1sqb n LEU 71 Cb 0.06 -0.46 0.24 0.00 -2.33 0.00 0.00 43.42 40.93 1sqb n LEU 71 CO 0.35 -0.25 0.69 0.00 -1.33 0.00 0.00 177.39 176.85 1sqb n ALA 72 N -1.67 2.62 0.41 -1.18 0.00 -0.43 -4.53 120.51 115.73 1sqb n ALA 72 Ca 0.05 -0.98 0.06 0.00 0.00 0.00 0.00 53.44 52.56 1sqb n ALA 72 Cb 0.31 -0.98 0.25 0.00 0.00 0.00 0.00 19.45 19.03 1sqb n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sqb n SER 73 N 0.89 0.00 -0.54 0.00 3.41 -1.25 -2.04 113.62 114.09 1sqb n SER 73 Ca 0.18 0.48 0.07 0.00 -0.26 0.00 0.00 58.87 59.33 1sqb n SER 73 Cb 0.53 -0.49 0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1sqb n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1sqb n SER 74 N -1.49 2.17 -4.86 4.04 2.88 -1.26 -4.86 113.62 110.23 1sqb n SER 74 Ca 0.03 -1.58 -0.31 0.00 -1.33 0.00 0.00 58.87 55.68 1sqb n SER 74 Cb 0.13 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1sqb n SER 74 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1sqb s LEU 75 N -1.09 3.44 0.02 2.46 1.43 -0.87 -4.40 118.68 119.67 1sqb s LEU 75 Ca 0.16 1.47 -0.38 0.00 -1.03 0.00 0.00 54.13 54.35 1sqb s LEU 75 Cb 0.11 -4.46 -0.17 0.00 0.03 0.00 0.00 46.19 41.70 1sqb s LEU 75 CO 0.17 -0.72 1.37 0.41 0.23 0.00 0.00 176.35 177.80 1sqb n THR 76 N -2.17 0.04 -4.14 5.49 -1.04 -1.26 -4.56 114.28 106.64 1sqb n THR 76 Ca 0.06 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.82 1sqb n THR 76 Cb 0.54 -0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 68.20 1sqb n THR 76 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sqb s THR 77 N 0.86 2.31 0.20 12.58 -4.23 0.54 -2.15 115.64 125.75 1sqb s THR 77 Ca 0.87 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 1sqb s THR 77 Cb -1.01 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 69.97 1sqb s THR 77 CO 0.51 -0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.48 1sqb h LYS 78 N 1.44 1.10 0.00 3.99 1.57 -1.57 -3.01 116.57 120.09 1sqb h LYS 78 Ca -0.43 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1sqb h LYS 78 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1sqb h LYS 78 CO 0.70 0.87 -0.89 0.41 -0.57 0.00 0.00 179.45 179.97 1sqb n GLY 79 N -0.94 -1.35 3.15 3.86 0.00 -1.26 -4.87 105.19 103.77 1sqb n GLY 79 Ca 0.07 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1sqb n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s ALA 80 N -3.24 -0.81 0.81 4.61 0.00 -1.14 -5.11 121.76 116.88 1sqb s ALA 80 Ca 0.03 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 1sqb s ALA 80 Cb 0.13 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.38 1sqb s ALA 80 CO 0.77 -0.43 1.12 -1.54 0.00 0.00 0.00 175.76 175.67 1sqb s SER 81 N 1.85 4.01 0.22 0.00 1.04 -1.26 -0.34 113.70 119.22 1sqb s SER 81 Ca -0.05 1.98 -0.12 0.00 0.48 0.00 0.00 55.95 58.24 1sqb s SER 81 Cb -0.11 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 63.76 1sqb s SER 81 CO -0.11 -2.37 1.64 -1.28 0.98 0.00 0.00 173.24 172.10 1sqb h SER 82 N -1.27 -0.44 -0.70 7.02 0.87 -1.80 -0.34 113.55 116.89 1sqb h SER 82 Ca -0.44 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1sqb h SER 82 Cb 1.25 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 1sqb h SER 82 CO 0.48 -0.17 0.46 0.15 -0.53 0.00 0.00 176.83 177.22 1sqb h PHE 83 N 0.05 0.87 -0.51 2.24 3.57 -1.92 -2.71 116.94 118.54 1sqb h PHE 83 Ca 0.32 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1sqb h PHE 83 Cb 0.52 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1sqb h PHE 83 CO -0.44 0.53 0.18 -0.22 -2.23 0.00 0.00 178.31 176.13 1sqb h LYS 84 N 0.93 0.78 -0.37 1.11 3.11 -1.46 -0.71 116.57 119.95 1sqb h LYS 84 Ca 0.26 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1sqb h LYS 84 Cb -0.07 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.02 1sqb h LYS 84 CO -0.07 0.71 0.24 0.82 -2.81 0.00 0.00 179.45 178.34 1sqb h ILE 85 N 0.69 1.10 0.32 2.00 2.04 -1.06 0.16 117.51 122.76 1sqb h ILE 85 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1sqb h ILE 85 Cb 0.24 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1sqb h ILE 85 CO -0.01 0.10 -0.15 0.74 0.00 0.00 0.00 178.15 178.83 1sqb h THR 86 N 0.50 0.70 -0.39 -0.27 2.02 -1.33 -2.72 112.91 111.43 1sqb h THR 86 Ca 0.14 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 1sqb h THR 86 Cb -0.04 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1sqb h THR 86 CO -0.03 0.09 -0.33 0.03 0.37 0.00 0.00 175.52 175.65 1sqb h ARG 87 N -0.67 0.87 -0.46 6.66 2.47 -1.09 -2.08 114.38 120.08 1sqb h ARG 87 Ca -0.04 -0.42 -0.12 0.00 -1.26 0.00 0.00 59.98 58.13 1sqb h ARG 87 Cb 0.47 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1sqb h ARG 87 CO 0.07 1.07 -0.20 0.78 0.56 0.00 0.00 179.97 182.25 1sqb h GLY 88 N 0.87 1.03 0.99 0.04 0.00 -0.73 -0.60 103.07 104.67 1sqb h GLY 88 Ca 0.07 -0.91 -0.12 0.00 0.00 0.00 0.00 47.33 46.38 1sqb h GLY 88 CO 0.08 0.83 -0.25 -2.22 0.00 0.00 0.00 176.54 174.98 1sqb h ILE 89 N 0.79 1.29 -0.11 2.60 2.04 -1.46 -3.26 117.51 119.40 1sqb h ILE 89 Ca 0.11 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 1sqb h ILE 89 Cb 0.77 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1sqb h ILE 89 CO 0.06 0.45 -0.42 -0.33 0.00 0.00 0.00 178.15 177.92 1sqb h GLU 90 N 0.53 0.25 -0.82 2.37 5.08 -1.31 0.21 114.58 120.87 1sqb h GLU 90 Ca 0.06 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1sqb h GLU 90 Cb 0.81 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1sqb h GLU 90 CO 0.07 0.63 0.54 0.00 -1.00 0.00 0.00 179.01 179.24 1sqb h ALA 91 N 1.36 1.82 -0.33 3.43 0.00 -1.14 -0.31 119.26 124.09 1sqb h ALA 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sqb h ALA 91 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sqb h ALA 91 CO 0.07 -0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.63 1sqb n VAL 92 N -4.52 0.43 -1.82 0.00 0.24 -1.08 -4.95 118.33 106.62 1sqb n VAL 92 Ca 0.15 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 1sqb n VAL 92 Cb 0.40 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 1sqb n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sqb n GLY 93 N 1.43 0.43 3.91 7.63 0.00 -0.13 -4.70 105.19 113.76 1sqb n GLY 93 Ca 0.18 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1sqb n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqb s GLY 94 N -2.70 1.61 0.08 -0.02 0.00 0.68 -4.89 107.32 102.07 1sqb s GLY 94 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 44.72 44.08 1sqb s GLY 94 CO 0.00 -0.22 -0.18 0.54 0.00 0.00 0.00 173.10 173.24 1sqb s LYS 95 N -5.54 1.01 -0.12 2.90 -0.14 0.14 -4.56 119.74 113.43 1sqb s LYS 95 Ca 0.62 -1.05 -0.01 0.00 -1.36 0.00 0.00 55.97 54.17 1sqb s LYS 95 Cb -0.11 -1.15 0.04 0.00 -1.68 0.00 0.00 37.83 34.93 1sqb s LYS 95 CO 0.48 0.27 -0.02 -1.17 -0.76 0.00 0.00 175.35 174.15 1sqb s LEU 96 N -1.76 1.02 0.00 3.17 2.96 -1.26 -1.98 118.68 120.84 1sqb s LEU 96 Ca 0.03 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1sqb s LEU 96 Cb -0.10 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 1sqb s LEU 96 CO 0.03 -0.20 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.27 1sqb s SER 97 N 1.83 1.83 -0.23 3.68 0.01 0.13 -5.02 113.70 115.94 1sqb s SER 97 Ca 0.03 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1sqb s SER 97 Cb -0.14 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 65.95 1sqb s SER 97 CO -0.07 0.16 -0.14 0.54 0.41 0.00 0.00 173.24 174.14 1sqb s VAL 98 N -0.49 2.08 -0.42 3.43 0.11 -1.26 -0.40 120.40 123.45 1sqb s VAL 98 Ca 0.05 -1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 57.73 1sqb s VAL 98 Cb -0.07 -2.07 0.11 0.00 -1.53 0.00 0.00 36.38 32.82 1sqb s VAL 98 CO -0.00 0.19 0.23 0.28 -3.33 0.00 0.00 175.10 172.48 1sqb s THR 99 N 1.20 3.58 0.35 5.04 -1.32 0.66 -4.95 115.64 120.19 1sqb s THR 99 Ca -0.03 -1.90 -0.19 0.00 -1.21 0.00 0.00 61.69 58.36 1sqb s THR 99 Cb -0.17 -3.39 -0.10 0.00 -1.51 0.00 0.00 72.50 67.33 1sqb s THR 99 CO -0.08 -0.67 0.83 -0.44 -2.21 0.00 0.00 174.62 172.05 1sqb s SER 100 N 2.03 6.93 0.01 8.08 0.01 -1.26 -1.61 113.70 127.90 1sqb s SER 100 Ca 0.07 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1sqb s SER 100 Cb -0.24 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 1sqb s SER 100 CO -0.03 -0.21 0.00 0.35 0.41 0.00 0.00 173.24 173.77 1sqb n THR 101 N -0.21 0.00 0.29 1.44 -2.24 -0.30 -4.99 114.28 108.28 1sqb n THR 101 Ca 0.04 -0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1sqb n THR 101 Cb 0.53 0.02 0.63 0.00 -2.10 0.00 0.00 70.33 69.41 1sqb n THR 101 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sqb h ARG 102 N 0.00 0.00 0.00 -0.78 3.08 -1.97 -3.15 114.38 111.56 1sqb h ARG 102 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1sqb h ARG 102 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1sqb h ARG 102 CO 0.02 0.00 -1.28 0.39 -1.07 0.00 0.00 179.97 178.03 1sqb n GLU 103 N -2.98 1.11 -4.26 0.04 1.02 -1.26 -1.45 120.64 112.85 1sqb n GLU 103 Ca 0.01 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 1sqb n GLU 103 Cb 0.31 -1.10 -0.08 0.00 -0.02 0.00 0.00 31.44 30.55 1sqb n GLU 103 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sqb s ASN 104 N -4.18 4.53 -0.07 1.62 0.02 -1.25 -1.09 114.94 114.52 1sqb s ASN 104 Ca -0.05 -0.54 0.01 0.00 -1.02 0.00 0.00 52.86 51.26 1sqb s ASN 104 Cb 0.02 -0.87 0.02 0.00 0.02 0.00 0.00 41.25 40.44 1sqb s ASN 104 CO 0.13 0.06 -0.10 -0.04 0.02 0.00 0.00 177.10 177.17 1sqb s MET 105 N -3.19 1.50 -0.16 -0.60 -1.94 0.12 -1.15 119.30 113.88 1sqb s MET 105 Ca 0.28 -0.32 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 1sqb s MET 105 Cb -0.08 -1.35 0.02 0.00 2.01 0.00 0.00 34.83 35.43 1sqb s MET 105 CO 0.18 -0.07 -0.15 0.00 -0.01 0.00 0.00 175.02 174.97 1sqb s ALA 106 N 0.98 2.00 -0.47 3.03 0.00 -0.63 0.80 121.76 127.46 1sqb s ALA 106 Ca -0.09 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 1sqb s ALA 106 Cb -0.15 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.95 1sqb s ALA 106 CO 0.00 -0.44 0.36 0.71 0.00 0.00 0.00 175.76 176.40 1sqb s TYR 107 N 1.42 3.31 -0.19 0.00 1.51 -0.07 -0.25 117.35 123.08 1sqb s TYR 107 Ca 0.04 -1.35 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 1sqb s TYR 107 Cb -0.13 -3.28 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 1sqb s TYR 107 CO -0.11 -0.89 0.04 0.99 -1.11 0.00 0.00 175.55 174.47 1sqb s THR 108 N 1.52 4.49 0.05 -0.71 2.01 0.47 -0.95 115.64 122.52 1sqb s THR 108 Ca 0.04 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1sqb s THR 108 Cb -0.25 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1sqb s THR 108 CO 0.03 0.45 -0.14 0.54 -0.69 0.00 0.00 174.62 174.81 1sqb s VAL 109 N 0.58 3.13 -0.15 3.82 0.11 0.79 -0.70 120.40 127.98 1sqb s VAL 109 Ca 0.02 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 1sqb s VAL 109 Cb -0.13 -2.37 0.06 0.00 -1.53 0.00 0.00 36.38 32.41 1sqb s VAL 109 CO 0.02 0.30 0.36 -0.70 -3.33 0.00 0.00 175.10 171.74 1sqb s GLU 110 N -1.61 0.32 0.20 1.54 2.12 -0.84 -1.42 118.70 119.02 1sqb s GLU 110 Ca 0.17 0.74 -0.23 0.00 0.36 0.00 0.00 54.97 56.01 1sqb s GLU 110 Cb -0.11 -0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.32 1sqb s GLU 110 CO 0.08 -0.17 0.93 0.00 -0.54 0.00 0.00 175.26 175.55 1sqb s LEU 112 N -3.06 3.56 0.59 0.00 1.43 -1.26 0.13 118.68 120.06 1sqb s LEU 112 Ca 0.15 2.18 0.30 0.00 -1.03 0.00 0.00 54.13 55.73 1sqb s LEU 112 Cb -0.03 -4.58 1.81 0.00 0.03 0.00 0.00 46.19 43.43 1sqb s LEU 112 CO 0.05 -1.56 2.24 0.08 0.23 0.00 0.00 176.35 177.39 1sqb h ARG 113 N 0.57 0.00 0.00 1.70 0.11 -1.74 -0.97 114.38 114.05 1sqb h ARG 113 Ca -0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.59 1sqb h ARG 113 Cb 1.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 1sqb h ARG 113 CO 0.55 0.02 -0.00 -0.44 0.10 0.00 0.00 179.97 180.19 1sqb h ASP 114 N 0.00 0.00 -0.26 0.08 3.32 -1.92 -3.24 116.42 114.40 1sqb h ASP 114 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sqb h ASP 114 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1sqb h ASP 114 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1sqb n ASP 115 N -3.09 2.95 -0.23 6.45 8.00 -0.37 -4.66 116.55 125.59 1sqb n ASP 115 Ca 0.00 -1.86 0.01 0.00 0.71 0.00 0.00 54.79 53.65 1sqb n ASP 115 Cb 0.28 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.30 1sqb n ASP 115 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1sqb h VAL 116 N 3.41 0.34 -0.66 2.53 -1.51 -1.63 -2.54 116.25 116.18 1sqb h VAL 116 Ca 0.00 -0.01 0.10 0.00 -1.23 0.00 0.00 66.70 65.56 1sqb h VAL 116 Cb 0.80 0.32 -0.07 0.00 -2.13 0.00 0.00 31.29 30.21 1sqb h VAL 116 CO 0.00 0.00 0.28 0.44 -1.23 0.00 0.00 177.57 177.06 1sqb h ASP 117 N 0.02 0.31 -0.39 4.19 5.19 -1.88 0.30 116.42 124.16 1sqb h ASP 117 Ca 0.33 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1sqb h ASP 117 Cb 0.52 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.05 1sqb h ASP 117 CO -0.68 0.17 0.16 0.40 -3.12 0.00 0.00 179.24 176.17 1sqb h ILE 118 N 0.47 1.19 -0.02 0.35 2.04 -1.81 -2.24 117.51 117.49 1sqb h ILE 118 Ca 0.33 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 1sqb h ILE 118 Cb 0.41 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1sqb h ILE 118 CO -0.31 0.20 -0.74 -0.07 0.00 0.00 0.00 178.15 177.24 1sqb h LEU 119 N 0.48 0.15 -0.14 1.44 4.07 -1.11 -2.02 115.31 118.17 1sqb h LEU 119 Ca 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1sqb h LEU 119 Cb 0.17 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1sqb h LEU 119 CO -0.01 0.83 0.09 -0.03 -1.08 0.00 0.00 178.44 178.23 1sqb h MET 120 N 0.08 0.19 -0.90 1.13 4.05 -0.40 0.19 114.93 119.27 1sqb h MET 120 Ca -0.02 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1sqb h MET 120 Cb 1.30 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.01 1sqb h MET 120 CO 0.11 0.15 0.59 1.49 0.23 0.00 0.00 176.91 179.48 1sqb h GLU 121 N 0.17 1.17 -0.31 0.39 4.81 -1.15 0.25 114.58 119.91 1sqb h GLU 121 Ca 0.05 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1sqb h GLU 121 Cb 0.01 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1sqb h GLU 121 CO -0.01 0.78 0.03 0.74 -0.73 0.00 0.00 179.01 179.81 1sqb h PHE 122 N 1.21 0.57 -0.55 0.92 0.04 -1.24 -1.81 116.94 116.07 1sqb h PHE 122 Ca 0.33 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 61.06 1sqb h PHE 122 Cb -0.13 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 1sqb h PHE 122 CO -0.01 0.63 0.29 1.25 -0.60 0.00 0.00 178.31 179.87 1sqb h LEU 123 N 0.34 0.43 -0.64 1.54 6.46 0.14 -1.35 115.31 122.23 1sqb h LEU 123 Ca 0.09 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.75 1sqb h LEU 123 Cb 0.39 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1sqb h LEU 123 CO 0.01 0.29 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.79 1sqb h LEU 124 N 0.56 0.80 -0.06 2.25 3.38 -0.42 -2.78 115.31 119.05 1sqb h LEU 124 Ca 0.24 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sqb h LEU 124 Cb 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sqb h LEU 124 CO -0.15 1.03 0.02 0.78 0.09 0.00 0.00 178.44 180.21 1sqb h ASN 125 N 0.67 0.08 -0.95 -0.43 -0.26 -0.70 0.21 115.58 114.20 1sqb h ASN 125 Ca 0.08 -0.16 0.09 0.00 -0.56 0.00 0.00 56.30 55.75 1sqb h ASN 125 Cb 0.79 -0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.96 1sqb h ASN 125 CO 0.07 0.22 0.61 0.58 -1.06 0.00 0.00 177.43 177.85 1sqb h VAL 126 N -0.07 1.00 0.01 2.81 2.07 -1.16 -0.06 116.25 120.85 1sqb h VAL 126 Ca 0.02 -0.34 -0.34 0.00 0.82 0.00 0.00 66.70 66.86 1sqb h VAL 126 Cb 0.17 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 1sqb h VAL 126 CO -0.00 0.18 -2.10 0.35 0.02 0.00 0.00 177.57 176.03 1sqb n THR 127 N -4.54 1.51 0.08 2.57 -2.24 -1.06 -4.22 114.28 106.39 1sqb n THR 127 Ca 0.16 -0.80 0.02 0.00 -2.27 0.00 0.00 64.05 61.16 1sqb n THR 127 Cb 0.28 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 1sqb n THR 127 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sqb n THR 128 N -2.94 0.00 -2.67 4.28 -2.24 0.72 -4.80 114.28 106.64 1sqb n THR 128 Ca -0.27 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 1sqb n THR 128 Cb 1.10 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.98 1sqb n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqb n ALA 129 N -1.46 3.29 -1.77 6.98 0.00 -0.06 -5.01 120.51 122.48 1sqb n ALA 129 Ca -0.00 -3.10 -0.35 0.00 0.00 0.00 0.00 53.44 49.99 1sqb n ALA 129 Cb 0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 1sqb n ALA 129 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqb s PRO 130 N -3.55 3.39 -0.08 0.00 0.04 -1.04 -1.46 135.00 132.29 1sqb s PRO 130 Ca 0.31 1.59 0.18 0.00 0.04 0.00 0.00 61.00 63.12 1sqb s PRO 130 Cb 0.38 -2.01 -0.27 0.00 0.04 0.00 0.00 34.50 32.64 1sqb s PRO 130 CO -0.02 -0.82 0.29 0.39 0.04 0.00 0.00 177.00 176.89 1sqb n GLU 131 N -1.29 0.77 -4.04 4.56 1.02 -0.91 -4.84 120.64 115.90 1sqb n GLU 131 Ca 0.11 -0.11 -0.44 0.00 -0.02 0.00 0.00 57.16 56.71 1sqb n GLU 131 Cb 0.51 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 1sqb n GLU 131 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1sqb n PHE 132 N -2.37 -1.46 -1.74 -0.32 3.72 -1.26 -4.85 117.46 109.18 1sqb n PHE 132 Ca -0.13 0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1sqb n PHE 132 Cb 0.73 -2.72 -0.03 0.00 -0.94 0.00 0.00 39.48 36.52 1sqb n PHE 132 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1sqb s ARG 133 N -7.06 4.14 0.15 -1.08 0.52 -1.26 -4.80 118.95 109.55 1sqb s ARG 133 Ca 0.41 2.58 -0.14 0.00 -0.52 0.00 0.00 55.73 58.06 1sqb s ARG 133 Cb -0.23 -3.34 0.12 0.00 0.52 0.00 0.00 34.95 32.03 1sqb s ARG 133 CO 0.96 -0.79 1.05 -2.13 0.02 0.00 0.00 175.30 174.41 1sqb n ARG 134 N 4.83 -0.18 0.08 3.54 0.63 -1.26 -0.53 116.66 123.76 1sqb n ARG 134 Ca 0.17 1.04 -0.08 0.00 -0.92 0.00 0.00 57.85 58.06 1sqb n ARG 134 Cb 0.37 -1.54 0.03 0.00 0.45 0.00 0.00 32.46 31.76 1sqb n ARG 134 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 1sqb h TRP 135 N 0.00 0.33 -0.43 -0.14 0.09 -1.99 -1.84 115.95 111.97 1sqb h TRP 135 Ca 0.21 -0.17 -0.13 0.00 0.09 0.00 0.00 58.89 58.90 1sqb h TRP 135 Cb 0.38 -0.04 -0.01 0.00 0.08 0.00 0.00 29.16 29.57 1sqb h TRP 135 CO -0.61 0.94 -0.24 0.93 0.09 0.00 0.00 178.44 179.54 1sqb h GLU 136 N 0.14 0.92 -0.25 0.12 5.08 -1.59 -1.99 114.58 117.01 1sqb h GLU 136 Ca -0.04 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 1sqb h GLU 136 Cb 1.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1sqb h GLU 136 CO 0.12 1.08 -0.24 0.28 -1.00 0.00 0.00 179.01 179.25 1sqb h VAL 137 N 0.75 1.31 -0.97 3.13 2.07 -0.76 -2.78 116.25 119.01 1sqb h VAL 137 Ca 0.09 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1sqb h VAL 137 Cb 0.82 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1sqb h VAL 137 CO 0.07 0.44 0.63 0.00 0.02 0.00 0.00 177.57 178.73 1sqb h ALA 138 N 0.68 1.42 0.00 1.67 0.00 -1.35 -2.08 119.26 119.61 1sqb h ALA 138 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1sqb h ALA 138 Cb 0.80 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sqb h ALA 138 CO 0.06 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 179.59 1sqb h ALA 139 N 1.46 1.13 0.00 0.00 0.00 -1.26 -3.14 119.26 117.45 1sqb h ALA 139 Ca 0.41 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1sqb h ALA 139 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sqb h ALA 139 CO -0.15 0.21 -1.39 -0.11 0.00 0.00 0.00 179.25 177.80 1sqb n LEU 140 N -3.47 0.64 -0.24 0.00 7.94 -0.82 -4.49 117.00 116.56 1sqb n LEU 140 Ca -0.01 0.26 0.01 0.00 -1.11 0.00 0.00 56.01 55.17 1sqb n LEU 140 Cb 0.33 0.02 0.09 0.00 0.53 0.00 0.00 43.42 44.39 1sqb n LEU 140 CO 0.31 -0.02 0.75 1.56 -1.11 0.00 0.00 177.39 178.88 1sqb h GLN 141 N 0.00 0.02 -0.09 1.96 1.08 -1.42 0.55 115.11 117.21 1sqb h GLN 141 Ca -0.08 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1sqb h GLN 141 Cb 1.23 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1sqb h GLN 141 CO 0.01 0.01 0.36 -1.35 -0.95 0.00 0.00 178.83 176.92 1sqb h PRO 142 N 0.02 0.00 0.00 1.46 0.11 -1.80 0.42 132.00 132.21 1sqb h PRO 142 Ca 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1sqb h PRO 142 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1sqb h PRO 142 CO -0.70 0.00 -0.22 0.37 -0.21 0.00 0.00 178.00 177.24 1sqb h GLN 143 N 0.00 0.00 -0.76 1.05 5.75 -1.18 -2.91 115.11 117.06 1sqb h GLN 143 Ca 0.04 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1sqb h GLN 143 Cb 0.76 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 1sqb h GLN 143 CO -0.00 0.22 0.27 -0.07 -2.65 0.00 0.00 178.83 176.60 1sqb h LEU 144 N 0.00 1.08 -0.24 -2.39 3.38 -1.03 0.34 115.31 116.45 1sqb h LEU 144 Ca -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1sqb h LEU 144 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1sqb h LEU 144 CO 0.03 0.98 0.00 -0.09 0.09 0.00 0.00 178.44 179.45 1sqb h ARG 145 N 1.12 0.41 0.11 1.13 2.43 -1.66 -0.82 114.38 117.10 1sqb h ARG 145 Ca 0.25 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sqb h ARG 145 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1sqb h ARG 145 CO -0.01 0.59 -0.05 0.82 -1.51 0.00 0.00 179.97 179.80 1sqb h ILE 146 N 0.19 1.00 -0.42 1.20 2.04 -1.31 -1.29 117.51 118.91 1sqb h ILE 146 Ca 0.07 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1sqb h ILE 146 Cb 0.40 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1sqb h ILE 146 CO 0.01 0.10 0.20 -0.78 0.00 0.00 0.00 178.15 177.68 1sqb h ASP 147 N -0.33 0.28 0.04 1.72 3.58 -0.33 -1.81 116.42 119.57 1sqb h ASP 147 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1sqb h ASP 147 Cb 0.27 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1sqb h ASP 147 CO 0.02 0.20 -0.02 0.50 -2.88 0.00 0.00 179.24 177.07 1sqb h LYS 148 N 0.41 -0.05 -0.88 0.28 3.64 -1.17 -2.60 116.57 116.21 1sqb h LYS 148 Ca 0.18 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1sqb h LYS 148 Cb 0.10 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1sqb h LYS 148 CO -0.14 0.14 0.49 0.00 -2.27 0.00 0.00 179.45 177.67 1sqb h ALA 149 N 0.74 1.31 -0.28 5.00 0.00 -0.84 0.39 119.26 125.57 1sqb h ALA 149 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1sqb h ALA 149 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sqb h ALA 149 CO 0.01 0.01 -0.22 0.28 0.00 0.00 0.00 179.25 179.33 1sqb h VAL 150 N 0.74 1.30 -0.19 0.00 2.07 -1.37 -2.69 116.25 116.11 1sqb h VAL 150 Ca 0.46 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1sqb h VAL 150 Cb 0.57 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1sqb h VAL 150 CO -0.32 0.43 -0.03 0.00 0.02 0.00 0.00 177.57 177.68 1sqb h ALA 151 N 0.72 0.27 0.00 1.67 0.00 -0.82 -3.27 119.26 117.82 1sqb h ALA 151 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sqb h ALA 151 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sqb h ALA 151 CO 0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1sqb n LEU 152 N -4.66 0.00 -0.21 0.00 4.32 0.12 -1.96 117.00 114.61 1sqb n LEU 152 Ca -0.05 0.04 0.10 0.00 -0.02 0.00 0.00 56.01 56.08 1sqb n LEU 152 Cb 0.25 -0.04 0.49 0.00 -1.62 0.00 0.00 43.42 42.51 1sqb n LEU 152 CO 0.37 -0.02 0.83 0.00 -1.22 0.00 0.00 177.39 177.36 1sqb n GLN 153 N -1.04 1.28 -3.53 3.23 10.64 -1.02 -4.48 117.38 122.46 1sqb n GLN 153 Ca 0.13 -0.42 -0.40 0.00 -1.83 0.00 0.00 57.00 54.48 1sqb n GLN 153 Cb 0.07 -1.34 -0.11 0.00 -0.86 0.00 0.00 30.24 28.01 1sqb n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1sqb s ASN 154 N -1.59 6.06 0.56 2.61 0.01 -0.83 -4.98 114.94 116.78 1sqb s ASN 154 Ca 0.30 -0.32 0.25 0.00 -0.71 0.00 0.00 52.86 52.38 1sqb s ASN 154 Cb 0.15 -2.14 1.52 0.00 0.41 0.00 0.00 41.25 41.19 1sqb s ASN 154 CO 0.24 -0.20 2.10 -0.65 -1.51 0.00 0.00 177.10 177.07 1sqb h PRO 155 N 8.46 0.00 -0.94 -0.60 0.11 -1.89 -1.79 132.00 135.36 1sqb h PRO 155 Ca -0.32 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1sqb h PRO 155 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1sqb h PRO 155 CO 0.62 0.00 0.58 1.96 -0.21 0.00 0.00 178.00 180.95 1sqb h GLN 156 N 0.00 1.26 0.37 1.05 7.50 -1.93 -2.74 115.11 120.62 1sqb h GLN 156 Ca 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1sqb h GLN 156 Cb 0.45 -0.27 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1sqb h GLN 156 CO -0.00 0.87 -0.33 0.00 -1.50 0.00 0.00 178.83 177.88 1sqb h ALA 157 N 1.35 -0.72 -0.46 3.87 0.00 -1.62 -0.77 119.26 120.91 1sqb h ALA 157 Ca 0.34 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1sqb h ALA 157 Cb -0.08 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1sqb h ALA 157 CO -0.07 -0.94 0.16 1.25 0.00 0.00 0.00 179.25 179.66 1sqb h HIS 158 N -0.71 0.66 0.31 0.00 -0.00 -1.64 -0.56 115.15 113.21 1sqb h HIS 158 Ca -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 1sqb h HIS 158 Cb 0.63 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1sqb h HIS 158 CO -0.17 0.53 -0.15 0.28 -0.00 0.00 0.00 177.93 178.42 1sqb h VAL 159 N 0.65 0.71 0.00 5.26 2.07 -1.29 0.19 116.25 123.85 1sqb h VAL 159 Ca 0.16 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1sqb h VAL 159 Cb 0.16 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1sqb h VAL 159 CO -0.01 0.02 -0.23 0.40 0.02 0.00 0.00 177.57 177.77 1sqb h ILE 160 N -0.47 0.71 -0.11 4.57 2.04 -0.52 0.57 117.51 124.30 1sqb h ILE 160 Ca -0.04 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 1sqb h ILE 160 Cb 0.35 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1sqb h ILE 160 CO 0.07 0.23 -0.11 -0.33 0.00 0.00 0.00 178.15 178.00 1sqb h GLU 161 N 0.00 0.28 -0.09 2.37 4.39 -0.99 -2.58 114.58 117.96 1sqb h GLU 161 Ca -0.00 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 1sqb h GLU 161 Cb 0.60 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1sqb h GLU 161 CO 0.03 0.69 -0.38 -0.91 -1.16 0.00 0.00 179.01 177.28 1sqb h ASN 162 N -0.12 0.19 -0.58 1.42 -0.26 0.34 -2.42 115.58 114.15 1sqb h ASN 162 Ca 0.02 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1sqb h ASN 162 Cb 0.64 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 1sqb h ASN 162 CO 0.03 0.56 0.34 0.25 -1.06 0.00 0.00 177.43 177.56 1sqb h LEU 163 N 0.16 0.70 -0.23 1.61 6.46 0.18 -1.21 115.31 122.97 1sqb h LEU 163 Ca 0.02 -0.06 -0.22 0.00 -0.12 0.00 0.00 57.88 57.50 1sqb h LEU 163 Cb 0.75 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1sqb h LEU 163 CO 0.06 0.55 -0.85 0.45 -0.62 0.00 0.00 178.44 178.03 1sqb h HIS 164 N 0.78 0.74 -0.05 1.25 3.86 -1.35 -1.02 115.15 119.35 1sqb h HIS 164 Ca 0.21 -0.36 -0.07 0.00 -1.16 0.00 0.00 60.37 58.98 1sqb h HIS 164 Cb -0.01 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1sqb h HIS 164 CO -0.02 1.16 -0.30 0.00 0.86 0.00 0.00 177.93 179.63 1sqb h ALA 165 N 0.73 1.40 0.21 2.45 0.00 -1.35 -2.22 119.26 120.48 1sqb h ALA 165 Ca -0.06 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.23 1sqb h ALA 165 Cb 1.46 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.21 1sqb h ALA 165 CO 0.15 0.43 -1.39 0.00 0.00 0.00 0.00 179.25 178.45 1sqb h ALA 166 N 1.61 -0.07 0.09 0.00 0.00 -1.08 -3.38 119.26 116.43 1sqb h ALA 166 Ca 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1sqb h ALA 166 Cb 0.58 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sqb h ALA 166 CO 0.04 0.77 -0.05 0.00 0.00 0.00 0.00 179.25 180.02 1sqb h ALA 167 N 0.29 -0.13 -3.31 0.00 0.00 -1.00 -3.17 119.26 111.94 1sqb h ALA 167 Ca -0.22 -0.21 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 1sqb h ALA 167 Cb 2.09 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 1sqb h ALA 167 CO 0.25 -0.35 -0.65 0.71 0.00 0.00 0.00 179.25 179.21 1sqb s TYR 168 N -4.38 3.03 -2.26 0.00 2.02 -0.85 -0.18 117.35 114.73 1sqb s TYR 168 Ca -0.15 -0.01 0.25 0.00 -0.37 0.00 0.00 57.07 56.79 1sqb s TYR 168 Cb 0.02 -1.55 0.49 0.00 -0.40 0.00 0.00 41.96 40.52 1sqb s TYR 168 CO 0.62 0.49 1.41 2.89 -1.57 0.00 0.00 175.55 179.38 1sqb n ARG 169 N 0.53 1.44 0.00 -0.62 1.85 -1.03 -4.58 116.66 114.24 1sqb n ARG 169 Ca -0.10 -1.04 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 1sqb n ARG 169 Cb 0.52 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 1sqb n ARG 169 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1sqb n ASN 170 N 0.13 0.00 -0.11 2.89 5.15 -1.26 -4.97 115.26 117.08 1sqb n ASN 170 Ca 0.13 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.88 1sqb n ASN 170 Cb 0.44 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.61 1sqb n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sqb n ALA 171 N -3.00 1.44 0.49 5.20 0.00 -1.26 -4.36 120.51 119.02 1sqb n ALA 171 Ca 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 53.44 52.63 1sqb n ALA 171 Cb 0.00 0.18 0.42 0.00 0.00 0.00 0.00 19.45 20.04 1sqb n ALA 171 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sqb n LEU 172 N -4.09 0.34 0.25 0.00 4.77 -1.26 -1.35 117.00 115.67 1sqb n LEU 172 Ca -0.42 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1sqb n LEU 172 Cb 0.78 -0.52 0.67 0.00 -2.33 0.00 0.00 43.42 42.03 1sqb n LEU 172 CO 0.04 -0.37 0.96 0.00 -1.33 0.00 0.00 177.39 176.70 1sqb h ALA 173 N 2.43 1.42 -2.19 -1.18 0.00 -1.76 -3.43 119.26 114.56 1sqb h ALA 173 Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1sqb h ALA 173 Cb 0.35 -0.02 0.21 0.00 0.00 0.00 0.00 17.79 18.33 1sqb h ALA 173 CO 0.00 0.17 -0.31 0.09 0.00 0.00 0.00 179.25 179.19 1sqb n ASN 174 N -3.86 -1.28 -0.72 0.00 3.02 -0.45 -3.74 115.26 108.23 1sqb n ASN 174 Ca -0.02 0.34 0.11 0.00 -0.03 0.00 0.00 54.58 54.98 1sqb n ASN 174 Cb 0.23 -1.29 0.05 0.00 -0.61 0.00 0.00 39.78 38.16 1sqb n ASN 174 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1sqb n SER 175 N -2.38 2.49 0.00 6.41 3.41 -1.26 -4.89 113.62 117.41 1sqb n SER 175 Ca 0.08 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1sqb n SER 175 Cb 0.53 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1sqb n SER 175 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sqb n LEU 176 N 0.70 0.00 -4.73 1.04 7.94 -1.26 -4.64 117.00 116.05 1sqb n LEU 176 Ca 0.11 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.67 1sqb n LEU 176 Cb 0.52 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.38 1sqb n LEU 176 CO 0.20 0.00 -0.28 -0.31 -1.11 0.00 0.00 177.39 175.89 1sqb s TYR 177 N 0.00 3.24 0.17 1.96 2.02 -1.26 -4.69 117.35 118.79 1sqb s TYR 177 Ca 0.00 0.24 -0.33 0.00 -0.37 0.00 0.00 57.07 56.61 1sqb s TYR 177 Cb 0.00 -1.80 -0.13 0.00 -0.40 0.00 0.00 41.96 39.63 1sqb s TYR 177 CO 0.00 0.53 1.64 0.00 -1.57 0.00 0.00 175.55 176.15 1sqb n PRO 179 N 3.77 2.24 -0.33 0.00 -0.02 -1.26 -4.90 135.00 134.50 1sqb n PRO 179 Ca 0.17 0.79 0.16 0.00 -2.02 0.00 0.00 63.50 62.60 1sqb n PRO 179 Cb 0.31 -2.44 0.36 0.00 -0.02 0.00 0.00 33.50 31.70 1sqb n PRO 179 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1sqb h ASP 180 N 3.40 0.54 0.73 2.55 3.32 -1.97 -0.21 116.42 124.78 1sqb h ASP 180 Ca -0.46 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1sqb h ASP 180 Cb 1.27 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 1sqb h ASP 180 CO 0.69 0.06 -0.03 0.10 -1.72 0.00 0.00 179.24 178.34 1sqb h TYR 181 N 0.51 0.00 -0.01 4.55 -0.00 -2.00 -1.79 116.97 118.22 1sqb h TYR 181 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.34 1sqb h TYR 181 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 1sqb h TYR 181 CO -0.06 0.03 -0.43 0.54 -0.00 0.00 0.00 178.16 178.24 1sqb n ARG 182 N -3.16 0.61 -2.32 0.10 5.12 -0.10 -4.76 116.66 112.14 1sqb n ARG 182 Ca -0.00 -0.40 -0.42 0.00 -1.93 0.00 0.00 57.85 55.09 1sqb n ARG 182 Cb 0.26 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 1sqb n ARG 182 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1sqb s ILE 183 N -2.67 3.95 0.00 0.55 1.01 -0.68 -1.62 121.20 121.75 1sqb s ILE 183 Ca 0.18 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1sqb s ILE 183 Cb 0.18 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1sqb s ILE 183 CO 0.61 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1sqb n GLY 184 N 3.55 1.01 0.00 6.18 0.00 -1.26 -4.87 105.19 109.81 1sqb n GLY 184 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1sqb n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqb n LYS 185 N -2.00 0.59 -2.22 1.61 5.02 -0.64 -4.97 118.16 115.55 1sqb n LYS 185 Ca 0.00 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1sqb n LYS 185 Cb 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 1sqb n LYS 185 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sqb s VAL 186 N -2.46 3.85 0.29 -0.18 0.11 -1.13 -5.00 120.40 115.88 1sqb s VAL 186 Ca -0.02 1.11 -0.06 0.00 -2.93 0.00 0.00 61.98 60.08 1sqb s VAL 186 Cb 0.05 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1sqb s VAL 186 CO 0.32 -0.06 0.56 0.42 -3.33 0.00 0.00 175.10 173.00 1sqb s THR 187 N 3.27 5.01 0.26 5.04 -4.23 -1.26 -4.98 115.64 118.75 1sqb s THR 187 Ca 0.64 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.24 1sqb s THR 187 Cb -0.29 -3.72 0.26 0.00 1.34 0.00 0.00 72.50 70.09 1sqb s THR 187 CO 0.24 -0.31 1.68 -0.65 -0.54 0.00 0.00 174.62 175.04 1sqb h PRO 188 N 1.75 0.28 -1.00 3.99 0.11 -1.94 -2.28 132.00 132.91 1sqb h PRO 188 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1sqb h PRO 188 Cb 1.19 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1sqb h PRO 188 CO 0.66 0.19 0.65 -0.24 -0.21 0.00 0.00 178.00 179.05 1sqb h VAL 189 N 0.29 1.14 -0.64 3.15 3.04 -1.95 -0.59 116.25 120.70 1sqb h VAL 189 Ca 0.46 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 65.70 1sqb h VAL 189 Cb 0.83 -0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1sqb h VAL 189 CO -0.54 0.22 0.26 -0.33 -1.01 0.00 0.00 177.57 176.17 1sqb h GLU 190 N 1.23 0.93 -0.25 4.17 5.08 -1.82 0.35 114.58 124.27 1sqb h GLU 190 Ca 0.41 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 1sqb h GLU 190 Cb 0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1sqb h GLU 190 CO -0.14 0.76 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.97 1sqb h LEU 191 N 0.91 0.90 -0.78 1.33 3.38 -1.07 -0.22 115.31 119.77 1sqb h LEU 191 Ca 0.22 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1sqb h LEU 191 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1sqb h LEU 191 CO -0.02 1.29 0.42 0.45 0.09 0.00 0.00 178.44 180.67 1sqb h HIS 192 N 0.61 1.08 -0.10 1.13 3.86 -0.43 -1.63 115.15 119.67 1sqb h HIS 192 Ca 0.00 -0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 1sqb h HIS 192 Cb 1.19 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 1sqb h HIS 192 CO 0.07 0.77 -0.61 -0.44 0.86 0.00 0.00 177.93 178.57 1sqb h ASP 193 N 1.09 0.40 -0.26 2.45 5.19 -0.24 -1.28 116.42 123.77 1sqb h ASP 193 Ca 0.27 -0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.34 1sqb h ASP 193 Cb 0.05 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1sqb h ASP 193 CO -0.04 0.91 -0.25 0.22 -3.12 0.00 0.00 179.24 176.95 1sqb h TYR 194 N 0.26 0.85 0.03 4.55 3.20 -0.71 -2.59 116.97 122.56 1sqb h TYR 194 Ca -0.01 -0.20 -0.18 0.00 3.14 0.00 0.00 58.73 61.48 1sqb h TYR 194 Cb 1.14 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 39.22 1sqb h TYR 194 CO 0.03 0.92 -0.71 0.28 -1.64 0.00 0.00 178.16 177.04 1sqb h VAL 195 N 0.64 1.42 -0.75 1.81 2.07 -1.18 -2.38 116.25 117.89 1sqb h VAL 195 Ca 0.08 -2.20 -0.00 0.00 0.82 0.00 0.00 66.70 65.40 1sqb h VAL 195 Cb 0.76 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 1sqb h VAL 195 CO 0.06 0.64 0.45 1.56 0.02 0.00 0.00 177.57 180.30 1sqb h GLN 196 N -0.09 1.01 -0.25 1.57 7.50 -1.24 0.73 115.11 124.34 1sqb h GLN 196 Ca -0.10 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 58.96 1sqb h GLN 196 Cb 1.44 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1sqb h GLN 196 CO 0.14 0.71 0.00 0.27 -1.50 0.00 0.00 178.83 178.45 1sqb n ASN 197 N -4.39 2.92 0.00 1.46 2.04 -0.98 -4.37 115.26 111.95 1sqb n ASN 197 Ca 0.08 -1.86 0.00 0.00 -0.44 0.00 0.00 54.58 52.36 1sqb n ASN 197 Cb 0.07 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1sqb n ASN 197 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1sqb n HIS 198 N 1.07 0.00 -2.02 -2.53 8.25 -0.89 -2.12 115.22 116.98 1sqb n HIS 198 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 1sqb n HIS 198 Cb 0.49 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 1sqb n HIS 198 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqb n PHE 199 N -1.68 2.60 -4.35 4.41 3.01 0.24 -4.62 117.46 117.06 1sqb n PHE 199 Ca 0.00 -2.81 -0.24 0.00 1.01 0.00 0.00 57.45 55.41 1sqb n PHE 199 Cb 0.36 -1.80 -0.09 0.00 -0.01 0.00 0.00 39.48 37.94 1sqb n PHE 199 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1sqb s THR 200 N -1.32 3.05 0.22 4.37 -4.23 -1.26 -4.90 115.64 111.57 1sqb s THR 200 Ca 0.53 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 1sqb s THR 200 Cb 0.19 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.71 1sqb s THR 200 CO -0.10 -0.31 1.62 0.28 -0.54 0.00 0.00 174.62 175.57 1sqb h SER 201 N 2.29 -0.63 0.66 3.99 0.02 -0.97 0.08 113.55 119.00 1sqb h SER 201 Ca -0.44 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1sqb h SER 201 Cb 1.24 0.43 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1sqb h SER 201 CO 0.58 -0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.05 1sqb n ALA 202 N -3.15 1.70 0.09 3.77 0.00 -1.23 -1.82 120.51 119.87 1sqb n ALA 202 Ca 0.09 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1sqb n ALA 202 Cb 0.37 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.63 1sqb n ALA 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqb n ARG 203 N -1.90 2.13 -4.45 0.00 1.74 -0.02 -4.82 116.66 109.34 1sqb n ARG 203 Ca 0.03 -1.89 -0.25 0.00 -0.77 0.00 0.00 57.85 54.97 1sqb n ARG 203 Cb 0.21 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.22 1sqb n ARG 203 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqb s MET 204 N -1.08 1.60 -0.11 5.56 -1.94 -0.76 -0.78 119.30 121.80 1sqb s MET 204 Ca 0.25 -1.66 -0.06 0.00 -1.71 0.00 0.00 55.69 52.51 1sqb s MET 204 Cb 0.14 -1.79 0.04 0.00 2.01 0.00 0.00 34.83 35.23 1sqb s MET 204 CO 0.20 0.36 0.26 0.00 -0.01 0.00 0.00 175.02 175.82 1sqb s ALA 205 N -2.13 -0.60 -0.30 3.03 0.00 -0.22 -2.98 121.76 118.56 1sqb s ALA 205 Ca 0.26 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1sqb s ALA 205 Cb -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1sqb s ALA 205 CO 0.13 -0.18 0.12 -1.17 0.00 0.00 0.00 175.76 174.65 1sqb s LEU 206 N 1.03 3.95 -0.11 0.00 2.96 0.33 -0.80 118.68 126.04 1sqb s LEU 206 Ca -0.07 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1sqb s LEU 206 Cb -0.08 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1sqb s LEU 206 CO -0.07 -0.17 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.00 1sqb s ILE 207 N 1.59 2.82 0.02 6.68 -1.09 0.54 -1.46 121.20 130.30 1sqb s ILE 207 Ca 0.04 -0.76 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 1sqb s ILE 207 Cb -0.17 -2.15 -0.02 0.00 -1.58 0.00 0.00 42.46 38.54 1sqb s ILE 207 CO 0.05 0.54 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.25 1sqb s GLY 208 N 0.18 1.12 -0.05 6.18 0.00 0.55 -0.38 107.32 114.92 1sqb s GLY 208 Ca -0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.60 1sqb s GLY 208 CO 0.06 -0.90 0.00 1.08 0.00 0.00 0.00 173.10 173.34 1sqb s LEU 209 N -0.87 0.78 -0.57 0.66 1.02 0.13 -1.94 118.68 117.88 1sqb s LEU 209 Ca 0.08 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1sqb s LEU 209 Cb -0.09 -0.34 0.00 0.00 0.02 0.00 0.00 46.19 45.78 1sqb s LEU 209 CO 0.01 -0.16 0.00 0.61 0.02 0.00 0.00 176.35 176.83 1sqb n GLY 210 N 4.74 0.44 3.14 -3.19 0.00 -0.84 -1.06 105.19 108.42 1sqb n GLY 210 Ca -0.14 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1sqb n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqb s VAL 211 N -2.27 1.11 0.21 1.61 1.01 -1.26 -4.85 120.40 115.96 1sqb s VAL 211 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 1sqb s VAL 211 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1sqb s VAL 211 CO 0.00 0.02 0.87 -0.94 0.00 0.00 0.00 175.10 175.04 1sqb s SER 212 N -1.10 7.53 0.17 3.32 1.04 -1.26 -4.32 113.70 119.08 1sqb s SER 212 Ca 0.02 1.81 -0.15 0.00 0.48 0.00 0.00 55.95 58.11 1sqb s SER 212 Cb -0.08 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.62 1sqb s SER 212 CO 0.01 0.18 1.71 -0.74 0.98 0.00 0.00 173.24 175.38 1sqb h HIS 213 N 4.23 0.05 -0.98 5.02 2.76 -1.97 -1.53 115.15 122.72 1sqb h HIS 213 Ca -0.46 0.03 0.27 0.00 -2.20 0.00 0.00 60.37 58.01 1sqb h HIS 213 Cb 1.20 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 1sqb h HIS 213 CO 0.62 -0.05 0.68 -1.00 -1.30 0.00 0.00 177.93 176.89 1sqb h PRO 214 N 0.15 0.14 -0.01 5.26 0.13 -1.98 0.21 132.00 135.91 1sqb h PRO 214 Ca 0.21 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1sqb h PRO 214 Cb 0.29 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.40 1sqb h PRO 214 CO -0.32 0.09 -0.31 0.28 -0.23 0.00 0.00 178.00 177.51 1sqb h VAL 215 N 0.14 1.52 -0.62 1.56 2.07 -1.70 -1.03 116.25 118.20 1sqb h VAL 215 Ca 0.49 -1.95 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 1sqb h VAL 215 Cb 1.70 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 34.15 1sqb h VAL 215 CO -0.09 0.54 0.04 -0.07 0.02 0.00 0.00 177.57 178.01 1sqb h LEU 216 N -0.42 1.03 -0.79 2.57 3.38 -1.07 -1.51 115.31 118.50 1sqb h LEU 216 Ca -0.04 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1sqb h LEU 216 Cb 1.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1sqb h LEU 216 CO 0.06 1.06 0.05 0.50 0.09 0.00 0.00 178.44 180.19 1sqb h LYS 217 N 0.98 0.96 0.42 1.13 3.64 -0.67 -2.21 116.57 120.82 1sqb h LYS 217 Ca 0.18 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1sqb h LYS 217 Cb 0.51 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1sqb h LYS 217 CO 0.02 0.92 -0.20 0.37 -2.27 0.00 0.00 179.45 178.29 1sqb h GLN 218 N 0.89 -0.55 -0.25 1.90 5.75 -0.80 -1.90 115.11 120.16 1sqb h GLN 218 Ca 0.17 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1sqb h GLN 218 Cb 0.46 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1sqb h GLN 218 CO 0.02 -0.36 -0.11 -0.39 -2.65 0.00 0.00 178.83 175.33 1sqb h VAL 219 N -0.57 1.21 -0.54 2.39 -1.51 -1.26 -0.68 116.25 115.29 1sqb h VAL 219 Ca -0.06 -0.91 -0.12 0.00 -1.23 0.00 0.00 66.70 64.38 1sqb h VAL 219 Cb 0.44 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 1sqb h VAL 219 CO 0.10 0.29 -0.12 0.00 -1.23 0.00 0.00 177.57 176.61 1sqb h ALA 220 N 1.51 0.75 0.00 5.19 0.00 -1.36 0.41 119.26 125.76 1sqb h ALA 220 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1sqb h ALA 220 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sqb h ALA 220 CO 0.02 0.68 -0.25 0.93 0.00 0.00 0.00 179.25 180.63 1sqb h GLU 221 N 0.92 0.00 0.01 0.00 5.08 -0.87 -2.35 114.58 117.37 1sqb h GLU 221 Ca 0.14 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.23 1sqb h GLU 221 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1sqb h GLU 221 CO 0.05 0.25 -1.46 1.04 -1.00 0.00 0.00 179.01 177.90 1sqb n GLN 222 N -3.22 0.59 -0.00 2.33 6.02 -0.30 -4.67 117.38 118.12 1sqb n GLN 222 Ca 0.02 0.52 0.03 0.00 -0.01 0.00 0.00 57.00 57.55 1sqb n GLN 222 Cb 0.57 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.07 1sqb n GLN 222 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1sqb n PHE 223 N -4.31 0.00 -0.24 1.08 3.72 0.14 -4.64 117.46 113.20 1sqb n PHE 223 Ca -0.34 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.12 1sqb n PHE 223 Cb 0.74 -0.04 0.17 0.00 -0.94 0.00 0.00 39.48 39.41 1sqb n PHE 223 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1sqb n LEU 224 N -1.31 3.08 -4.53 4.37 4.77 -0.89 -4.84 117.00 117.64 1sqb n LEU 224 Ca 0.00 -2.06 -0.42 0.00 -0.03 0.00 0.00 56.01 53.50 1sqb n LEU 224 Cb 0.11 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1sqb n LEU 224 CO 0.12 0.75 1.48 0.21 -1.33 0.00 0.00 177.39 178.61 1sqb s ASN 225 N -1.05 6.65 -0.12 -1.43 2.47 -1.18 -4.32 114.94 115.97 1sqb s ASN 225 Ca 0.27 -1.94 0.02 0.00 0.42 0.00 0.00 52.86 51.63 1sqb s ASN 225 Cb 0.15 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.44 1sqb s ASN 225 CO 0.17 -1.27 -0.17 -0.63 -3.72 0.00 0.00 177.10 171.47 1sqb s ILE 226 N 4.02 1.65 0.00 -5.21 -1.09 -1.26 -5.00 121.20 114.31 1sqb s ILE 226 Ca 0.45 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1sqb s ILE 226 Cb -0.00 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.38 1sqb s ILE 226 CO -0.05 0.47 0.00 -2.11 -1.23 0.00 0.00 174.94 172.02 1sqb n ARG 227 N 4.13 3.08 -3.20 2.79 -4.01 -1.26 -0.47 116.66 117.72 1sqb n ARG 227 Ca -0.19 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.46 1sqb n ARG 227 Cb 0.51 0.00 0.06 0.00 -3.04 0.00 0.00 32.46 29.99 1sqb n ARG 227 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1sqb n GLY 228 N 5.00 -0.14 0.00 2.89 0.00 -1.26 -4.90 105.19 106.78 1sqb n GLY 228 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sqb n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 229 N -1.40 4.63 3.97 -0.02 0.00 -1.26 -4.60 105.19 106.52 1sqb n GLY 229 Ca -0.08 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 1sqb n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqb s LEU 230 N 0.00 3.68 0.00 0.99 1.43 -0.90 -5.01 118.68 118.87 1sqb s LEU 230 Ca 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1sqb s LEU 230 Cb 0.00 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1sqb s LEU 230 CO 0.00 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1sqb n GLY 231 N -1.97 0.45 1.65 -3.19 0.00 -1.26 -4.95 105.19 95.92 1sqb n GLY 231 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1sqb n GLY 231 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1sqb n LEU 232 N 0.00 0.00 -2.51 0.99 -0.00 -1.26 -4.84 117.00 109.37 1sqb n LEU 232 Ca 0.00 -0.47 -0.16 0.00 -0.00 0.00 0.00 56.01 55.38 1sqb n LEU 232 Cb 0.00 -0.51 -0.09 0.00 -0.00 0.00 0.00 43.42 42.82 1sqb n LEU 232 CO 0.00 -2.12 1.88 -1.20 -0.00 0.00 0.00 177.39 175.95 1sqb n SER 233 N -4.40 4.94 -0.65 1.45 7.64 -1.26 -4.93 113.62 116.41 1sqb n SER 233 Ca 0.07 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1sqb n SER 233 Cb 0.31 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1sqb n SER 233 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqb n GLY 234 N 2.99 -0.92 3.68 0.23 0.00 -1.26 -4.65 105.19 105.26 1sqb n GLY 234 Ca 0.42 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1sqb n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb s ALA 235 N -1.78 3.64 -0.27 4.61 0.00 -1.26 -4.91 121.76 121.80 1sqb s ALA 235 Ca 0.00 1.06 -0.37 0.00 0.00 0.00 0.00 51.96 52.65 1sqb s ALA 235 Cb 0.00 -3.70 -0.13 0.00 0.00 0.00 0.00 23.12 19.28 1sqb s ALA 235 CO 0.00 -1.20 1.93 1.17 0.00 0.00 0.00 175.76 177.67 1sqb n LYS 236 N 6.20 1.34 -1.61 0.00 3.00 -1.26 -4.82 118.16 121.00 1sqb n LYS 236 Ca 0.16 0.46 -0.43 0.00 -0.00 0.00 0.00 58.31 58.50 1sqb n LYS 236 Cb 0.42 -2.33 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 1sqb n LYS 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sqb s ALA 237 N 4.99 2.67 -0.37 3.14 0.00 -1.26 -4.93 121.76 126.00 1sqb s ALA 237 Ca 1.01 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 53.48 1sqb s ALA 237 Cb -0.92 -4.09 0.01 0.00 0.00 0.00 0.00 23.12 18.12 1sqb s ALA 237 CO 0.57 -2.88 0.78 0.15 0.00 0.00 0.00 175.76 174.38 1sqb s LYS 238 N 6.45 3.72 0.24 0.00 1.02 -1.26 -4.85 119.74 125.06 1sqb s LYS 238 Ca 1.00 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.97 1sqb s LYS 238 Cb -0.32 -3.82 -0.09 0.00 -0.52 0.00 0.00 37.83 33.08 1sqb s LYS 238 CO 0.35 -0.87 1.06 -0.47 -0.92 0.00 0.00 175.35 174.49 1sqb s TYR 239 N 3.11 3.69 0.06 3.18 5.04 -1.26 -2.46 117.35 128.70 1sqb s TYR 239 Ca 0.31 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.67 1sqb s TYR 239 Cb -0.13 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1sqb s TYR 239 CO 0.17 -0.31 0.00 1.58 -1.34 0.00 0.00 175.55 175.66 1sqb n HIS 240 N 1.60 -0.39 0.00 4.97 -0.00 0.33 -4.92 115.22 116.81 1sqb n HIS 240 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 1sqb n HIS 240 Cb 0.46 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.72 1sqb n HIS 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sqb n GLY 241 N 2.29 -0.76 0.00 1.57 0.00 0.75 -4.96 105.19 104.08 1sqb n GLY 241 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1sqb n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 242 N -0.60 0.49 2.88 -0.02 0.00 -0.98 -4.73 105.19 102.23 1sqb n GLY 242 Ca 0.00 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 1sqb n GLY 242 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqb s GLU 243 N -1.55 0.05 -0.14 1.61 -1.05 -1.26 -1.43 118.70 114.92 1sqb s GLU 243 Ca 0.00 0.24 -0.02 0.00 -0.15 0.00 0.00 54.97 55.04 1sqb s GLU 243 Cb 0.00 -0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.53 1sqb s GLU 243 CO 0.00 -0.12 -0.08 0.42 0.95 0.00 0.00 175.26 176.43 1sqb s ILE 244 N 0.81 3.50 -0.08 1.83 1.01 -0.05 -4.98 121.20 123.24 1sqb s ILE 244 Ca -0.06 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1sqb s ILE 244 Cb -0.09 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1sqb s ILE 244 CO -0.03 0.51 -0.20 -0.13 0.00 0.00 0.00 174.94 175.09 1sqb s ARG 245 N 0.32 2.53 -0.36 2.79 0.52 -1.26 -2.24 118.95 121.25 1sqb s ARG 245 Ca -0.07 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1sqb s ARG 245 Cb -0.15 -1.97 0.11 0.00 0.52 0.00 0.00 34.95 33.46 1sqb s ARG 245 CO 0.04 0.14 0.11 -2.00 0.02 0.00 0.00 175.30 173.62 1sqb s GLU 246 N 0.41 1.17 -0.01 3.54 2.12 -0.44 -5.02 118.70 120.47 1sqb s GLU 246 Ca -0.16 -1.62 -0.30 0.00 0.36 0.00 0.00 54.97 53.25 1sqb s GLU 246 Cb -0.17 -2.58 -0.07 0.00 0.26 0.00 0.00 34.13 31.57 1sqb s GLU 246 CO 0.07 -1.00 1.73 -0.65 -0.54 0.00 0.00 175.26 174.87 1sqb s GLN 247 N 1.03 4.17 0.00 4.30 -1.52 -1.26 -1.99 119.66 124.39 1sqb s GLN 247 Ca 0.12 2.32 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 1sqb s GLN 247 Cb -0.20 -3.98 0.00 0.00 -0.22 0.00 0.00 33.01 28.61 1sqb s GLN 247 CO -0.13 -0.86 0.00 -1.71 -0.25 0.00 0.00 175.29 172.34 1sqb n ASN 248 N 7.03 2.52 -3.25 5.90 2.85 0.11 -4.88 115.26 125.55 1sqb n ASN 248 Ca 0.18 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.55 1sqb n ASN 248 Cb 0.42 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.46 1sqb n ASN 248 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sqb n GLY 249 N 2.92 -1.20 0.73 8.20 0.00 -1.24 -4.93 105.19 109.67 1sqb n GLY 249 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.59 1sqb n GLY 249 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sqb n ASP 250 N -2.36 1.58 0.00 1.61 2.03 -1.26 -4.98 116.55 113.16 1sqb n ASP 250 Ca -0.06 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.86 1sqb n ASP 250 Cb 0.56 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1sqb n ASP 250 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1sqb n SER 251 N -0.79 0.00 -4.70 1.67 3.41 -1.26 -4.77 113.62 107.19 1sqb n SER 251 Ca 0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.51 1sqb n SER 251 Cb 0.78 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 1sqb n SER 251 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqb s LEU 252 N 0.00 3.43 -0.25 1.04 1.43 -1.26 -4.03 118.68 119.03 1sqb s LEU 252 Ca 0.00 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1sqb s LEU 252 Cb 0.00 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1sqb s LEU 252 CO 0.00 0.06 0.12 -0.69 0.23 0.00 0.00 176.35 176.07 1sqb s VAL 253 N -1.84 4.81 -0.17 -1.59 1.01 0.23 -4.55 120.40 118.29 1sqb s VAL 253 Ca 0.29 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1sqb s VAL 253 Cb -0.09 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1sqb s VAL 253 CO 0.20 0.32 0.27 -1.00 0.00 0.00 0.00 175.10 174.90 1sqb s HIS 254 N 1.47 3.44 -0.05 5.22 3.76 -0.52 -1.58 115.29 127.02 1sqb s HIS 254 Ca 0.06 0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 55.47 1sqb s HIS 254 Cb -0.15 -2.33 0.01 0.00 1.11 0.00 0.00 32.58 31.22 1sqb s HIS 254 CO 0.06 0.21 0.13 0.00 -0.85 0.00 0.00 174.74 174.29 1sqb s ALA 255 N 0.57 -0.33 -0.13 -1.40 0.00 -0.04 -0.98 121.76 119.46 1sqb s ALA 255 Ca 0.15 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1sqb s ALA 255 Cb -0.13 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1sqb s ALA 255 CO 0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 175.76 175.61 1sqb s ALA 256 N -0.06 1.55 -0.14 0.00 0.00 0.37 0.37 121.76 123.85 1sqb s ALA 256 Ca -0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 1sqb s ALA 256 Cb -0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1sqb s ALA 256 CO 0.00 -0.38 0.10 -1.17 0.00 0.00 0.00 175.76 174.31 1sqb s LEU 257 N 1.58 4.11 -0.06 0.00 0.20 0.03 -2.30 118.68 122.23 1sqb s LEU 257 Ca 0.04 0.29 -0.19 0.00 0.69 0.00 0.00 54.13 54.96 1sqb s LEU 257 Cb -0.13 -2.01 0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1sqb s LEU 257 CO -0.09 0.31 0.44 0.54 -0.29 0.00 0.00 176.35 177.26 1sqb s VAL 258 N -0.43 0.03 0.23 1.68 0.11 -0.29 -0.08 120.40 121.66 1sqb s VAL 258 Ca 0.11 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1sqb s VAL 258 Cb -0.12 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1sqb s VAL 258 CO 0.02 -0.14 0.04 0.00 -3.33 0.00 0.00 175.10 171.69 1sqb s ALA 259 N -0.96 1.67 0.18 1.54 0.00 0.38 0.00 121.76 124.58 1sqb s ALA 259 Ca -0.10 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 1sqb s ALA 259 Cb -0.03 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.74 1sqb s ALA 259 CO 0.05 -0.36 1.43 -2.00 0.00 0.00 0.00 175.76 174.88 1sqb s GLU 260 N -3.95 4.29 0.00 0.00 2.12 -1.26 -1.25 118.70 118.65 1sqb s GLU 260 Ca 0.31 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.85 1sqb s GLU 260 Cb 0.07 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1sqb s GLU 260 CO 0.10 -0.43 0.00 -1.13 -0.54 0.00 0.00 175.26 173.25 1sqb n SER 261 N 3.19 0.00 -3.98 -1.70 3.41 -0.88 -4.76 113.62 108.90 1sqb n SER 261 Ca 0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1sqb n SER 261 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1sqb n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqb s ALA 262 N -2.54 0.14 0.30 7.33 0.00 -1.26 -4.76 121.76 120.97 1sqb s ALA 262 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 1sqb s ALA 262 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1sqb s ALA 262 CO 0.00 -0.15 1.09 0.00 0.00 0.00 0.00 175.76 176.70 1sqb s ALA 263 N -1.40 3.35 0.33 0.00 0.00 -1.25 -3.55 121.76 119.23 1sqb s ALA 263 Ca -0.15 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.40 1sqb s ALA 263 Cb -0.10 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 1sqb s ALA 263 CO -0.01 -0.17 1.07 1.51 0.00 0.00 0.00 175.76 178.16 1sqb n ILE 264 N 0.96 2.07 0.00 0.00 3.06 0.36 -3.12 119.36 122.69 1sqb n ILE 264 Ca -0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1sqb n ILE 264 Cb 0.46 -1.16 0.00 0.00 0.54 0.00 0.00 39.64 39.48 1sqb n ILE 264 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sqb n GLY 265 N 1.11 2.80 3.71 4.50 0.00 -1.26 -4.93 105.19 111.11 1sqb n GLY 265 Ca 0.08 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1sqb n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqb s SER 266 N 0.36 3.98 0.31 1.61 1.04 -1.18 -4.95 113.70 114.86 1sqb s SER 266 Ca 0.00 2.38 0.01 0.00 0.48 0.00 0.00 55.95 58.83 1sqb s SER 266 Cb 0.00 -2.59 0.56 0.00 0.10 0.00 0.00 66.02 64.09 1sqb s SER 266 CO 0.00 -2.41 1.93 0.00 0.98 0.00 0.00 173.24 173.74 1sqb h ALA 267 N -0.48 1.54 -0.30 5.32 0.00 -1.96 -2.40 119.26 120.97 1sqb h ALA 267 Ca -0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1sqb h ALA 267 Cb 1.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1sqb h ALA 267 CO 0.48 0.35 0.01 1.49 0.00 0.00 0.00 179.25 181.58 1sqb h GLU 268 N 0.98 0.45 -0.57 0.00 4.81 -1.92 -2.58 114.58 115.76 1sqb h GLU 268 Ca 0.36 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1sqb h GLU 268 Cb 0.16 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1sqb h GLU 268 CO -0.12 0.48 0.35 0.00 -0.73 0.00 0.00 179.01 178.99 1sqb h ALA 269 N 1.57 0.73 -0.77 2.92 0.00 -1.65 -2.10 119.26 119.96 1sqb h ALA 269 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sqb h ALA 269 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1sqb h ALA 269 CO 0.01 0.09 0.43 -0.91 0.00 0.00 0.00 179.25 178.87 1sqb h ASN 270 N 0.71 0.95 -0.83 0.00 2.35 -1.48 -1.89 115.58 115.38 1sqb h ASN 270 Ca 0.23 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1sqb h ASN 270 Cb -0.00 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1sqb h ASN 270 CO -0.09 0.76 0.42 0.00 -1.65 0.00 0.00 177.43 176.88 1sqb h ALA 271 N 1.40 1.17 -0.41 -0.83 0.00 -1.23 -1.90 119.26 117.45 1sqb h ALA 271 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1sqb h ALA 271 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1sqb h ALA 271 CO -0.05 0.64 -0.13 0.74 0.00 0.00 0.00 179.25 180.46 1sqb h PHE 272 N 1.18 0.82 -0.37 0.00 0.04 -0.73 -1.00 116.94 116.88 1sqb h PHE 272 Ca 0.29 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 1sqb h PHE 272 Cb 0.08 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1sqb h PHE 272 CO 0.01 0.84 -0.10 0.77 -0.60 0.00 0.00 178.31 179.23 1sqb h SER 273 N 0.67 0.62 -0.26 2.17 0.02 -1.08 0.30 113.55 115.99 1sqb h SER 273 Ca 0.11 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 1sqb h SER 273 Cb 0.61 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1sqb h SER 273 CO 0.04 0.76 -0.58 0.58 -1.14 0.00 0.00 176.83 176.48 1sqb h VAL 274 N 0.59 1.27 -0.64 2.27 2.07 -1.07 -2.91 116.25 117.83 1sqb h VAL 274 Ca 0.11 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1sqb h VAL 274 Cb 0.52 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1sqb h VAL 274 CO 0.03 0.57 0.24 0.25 0.02 0.00 0.00 177.57 178.68 1sqb h LEU 275 N 0.64 0.87 -1.12 2.57 5.85 -0.93 -0.32 115.31 122.87 1sqb h LEU 275 Ca 0.00 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1sqb h LEU 275 Cb 1.20 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1sqb h LEU 275 CO 0.13 0.79 0.60 -0.61 -0.34 0.00 0.00 178.44 179.01 1sqb h GLN 276 N 0.92 1.08 0.00 1.25 4.15 -0.90 -1.21 115.11 120.40 1sqb h GLN 276 Ca 0.21 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1sqb h GLN 276 Cb 0.21 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1sqb h GLN 276 CO -0.02 0.72 -0.36 0.45 -1.93 0.00 0.00 178.83 177.69 1sqb h HIS 277 N 1.12 0.00 0.03 3.99 3.86 -1.17 -0.31 115.15 122.67 1sqb h HIS 277 Ca 0.37 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1sqb h HIS 277 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1sqb h HIS 277 CO -0.00 0.00 -0.02 0.28 0.86 0.00 0.00 177.93 179.05 1sqb h VAL 278 N 0.00 1.34 -0.20 2.45 2.07 -0.55 -3.35 116.25 118.02 1sqb h VAL 278 Ca 0.00 -1.26 -0.15 0.00 0.82 0.00 0.00 66.70 66.11 1sqb h VAL 278 Cb 0.95 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1sqb h VAL 278 CO 0.00 0.32 -0.45 -0.07 0.02 0.00 0.00 177.57 177.39 1sqb h LEU 279 N -0.61 0.73 0.00 2.57 3.38 -1.29 -3.29 115.31 116.81 1sqb h LEU 279 Ca -0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1sqb h LEU 279 Cb 0.55 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sqb h LEU 279 CO 0.01 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.31 1sqb n GLY 280 N 0.46 3.36 0.00 0.83 0.00 -0.13 -1.31 105.19 108.40 1sqb n GLY 280 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1sqb n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqb n ALA 281 N 0.00 0.00 -0.49 4.61 0.00 -1.20 -0.14 120.51 123.29 1sqb n ALA 281 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1sqb n ALA 281 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1sqb n ALA 281 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sqb s GLY 282 N 0.00 1.55 0.89 0.00 0.00 -1.26 -4.79 107.32 103.71 1sqb s GLY 282 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1sqb s GLY 282 CO 0.00 0.66 1.09 2.56 0.00 0.00 0.00 173.10 177.41 1sqb s PRO 283 N -4.42 1.34 0.00 2.90 0.04 -1.26 -5.01 135.00 128.60 1sqb s PRO 283 Ca 0.69 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1sqb s PRO 283 Cb -0.26 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1sqb s PRO 283 CO 0.65 -2.16 0.00 0.72 0.04 0.00 0.00 177.00 176.24 1sqb n HIS 284 N -3.82 0.00 -4.70 0.56 8.25 -1.26 -5.03 115.22 109.21 1sqb n HIS 284 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1sqb n HIS 284 Cb 0.56 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.52 1sqb n HIS 284 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqb s VAL 285 N -1.91 2.98 -0.20 1.59 1.01 -1.26 -5.07 120.40 117.54 1sqb s VAL 285 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1sqb s VAL 285 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1sqb s VAL 285 CO 0.00 0.52 2.14 -0.75 0.00 0.00 0.00 175.10 177.01 1sqb s LYS 286 N 0.48 3.27 -0.46 2.72 2.20 -1.26 -2.63 119.74 124.06 1sqb s LYS 286 Ca -0.09 2.04 -0.10 0.00 -0.36 0.00 0.00 55.97 57.46 1sqb s LYS 286 Cb -0.16 -4.33 0.01 0.00 -1.51 0.00 0.00 37.83 31.85 1sqb s LYS 286 CO 0.04 -1.94 0.56 0.54 -0.36 0.00 0.00 175.35 174.19 1sqb n ARG 287 N 8.57 -1.82 -4.15 4.03 1.74 -1.26 -5.07 116.66 118.69 1sqb n ARG 287 Ca 0.28 1.77 -0.17 0.00 -0.77 0.00 0.00 57.85 58.96 1sqb n ARG 287 Cb 0.45 -5.21 -0.12 0.00 -1.02 0.00 0.00 32.46 26.56 1sqb n ARG 287 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sqb s GLY 288 N -2.56 0.80 0.09 -0.13 0.00 -1.08 -5.03 107.32 99.41 1sqb s GLY 288 Ca 0.15 -0.97 0.21 0.00 0.00 0.00 0.00 44.72 44.11 1sqb s GLY 288 CO 0.67 -1.01 1.66 -1.14 0.00 0.00 0.00 173.10 173.28 1sqb n SER 289 N 1.25 0.27 -3.41 1.64 3.41 -1.26 -4.94 113.62 110.59 1sqb n SER 289 Ca -0.21 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 58.75 1sqb n SER 289 Cb 0.54 -0.62 0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1sqb n SER 289 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sqb n ASN 290 N -1.79 -6.21 -0.16 4.04 4.13 -1.26 -4.86 115.26 109.16 1sqb n ASN 290 Ca 0.04 -0.79 0.10 0.00 1.68 0.00 0.00 54.58 55.61 1sqb n ASN 290 Cb 0.25 -4.47 0.42 0.00 -1.54 0.00 0.00 39.78 34.45 1sqb n ASN 290 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqb h ALA 291 N 0.32 1.87 -0.01 5.41 0.00 -2.02 -1.37 119.26 123.46 1sqb h ALA 291 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1sqb h ALA 291 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sqb h ALA 291 CO 0.45 -0.02 -0.04 0.25 0.00 0.00 0.00 179.25 179.88 1sqb n THR 292 N -4.49 0.00 -2.71 0.00 -2.24 -1.26 -4.79 114.28 98.79 1sqb n THR 292 Ca 0.12 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1sqb n THR 292 Cb 0.35 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1sqb n THR 292 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sqb s SER 293 N -2.09 6.21 0.24 3.42 0.15 -0.52 -4.87 113.70 116.25 1sqb s SER 293 Ca 0.35 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1sqb s SER 293 Cb 0.21 -2.49 0.43 0.00 -1.71 0.00 0.00 66.02 62.46 1sqb s SER 293 CO 0.37 -1.57 1.70 -1.28 1.20 0.00 0.00 173.24 173.66 1sqb h SER 294 N 9.71 0.11 -0.25 5.45 0.87 -1.43 -1.53 113.55 126.48 1sqb h SER 294 Ca -0.28 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1sqb h SER 294 Cb 1.06 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1sqb h SER 294 CO 1.21 0.02 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.17 1sqb h LEU 295 N 0.33 0.69 -0.27 2.23 3.38 -1.49 -2.67 115.31 117.51 1sqb h LEU 295 Ca 0.40 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sqb h LEU 295 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1sqb h LEU 295 CO -0.45 1.04 0.17 0.22 0.09 0.00 0.00 178.44 179.51 1sqb h TYR 296 N 0.35 0.34 -0.48 1.13 5.03 -1.62 -1.83 116.97 119.90 1sqb h TYR 296 Ca 0.03 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1sqb h TYR 296 Cb 0.86 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 1sqb h TYR 296 CO 0.08 0.24 0.05 1.96 -1.32 0.00 0.00 178.16 179.17 1sqb h GLN 297 N 0.35 0.76 -0.58 1.82 1.08 -1.37 -0.73 115.11 116.44 1sqb h GLN 297 Ca 0.10 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1sqb h GLN 297 Cb -0.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1sqb h GLN 297 CO -0.02 0.73 0.05 0.00 -0.95 0.00 0.00 178.83 178.65 1sqb h ALA 298 N 1.34 0.78 0.02 3.87 0.00 -1.24 -2.43 119.26 121.60 1sqb h ALA 298 Ca 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sqb h ALA 298 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sqb h ALA 298 CO 0.01 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 180.09 1sqb h VAL 299 N 0.88 1.37 -0.54 0.00 2.07 -1.03 -3.33 116.25 115.67 1sqb h VAL 299 Ca 0.17 -1.27 0.13 0.00 0.82 0.00 0.00 66.70 66.56 1sqb h VAL 299 Cb 0.48 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1sqb h VAL 299 CO 0.02 0.32 0.38 0.00 0.02 0.00 0.00 177.57 178.31 1sqb h ALA 300 N 0.36 2.31 -0.66 1.67 0.00 -1.12 0.43 119.26 122.25 1sqb h ALA 300 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1sqb h ALA 300 Cb 0.55 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1sqb h ALA 300 CO 0.01 -0.45 0.35 -0.22 0.00 0.00 0.00 179.25 178.93 1sqb h LYS 301 N 0.15 0.62 0.00 0.00 3.64 -1.54 -3.27 116.57 116.17 1sqb h LYS 301 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1sqb h LYS 301 Cb 0.82 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1sqb h LYS 301 CO -0.04 0.41 -1.67 0.41 -2.27 0.00 0.00 179.45 176.29 1sqb n GLY 302 N -1.29 -1.02 3.18 5.01 0.00 0.56 -4.95 105.19 106.68 1sqb n GLY 302 Ca 0.08 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1sqb n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqb s VAL 303 N -3.37 1.80 -0.21 1.61 1.01 0.12 -5.03 120.40 116.33 1sqb s VAL 303 Ca -0.03 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1sqb s VAL 303 Cb 0.14 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 1sqb s VAL 303 CO 0.89 0.50 0.23 1.41 0.00 0.00 0.00 175.10 178.14 1sqb n HIS 304 N 3.46 0.00 -1.88 5.22 -0.00 -1.26 -4.31 115.22 116.45 1sqb n HIS 304 Ca -0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.23 1sqb n HIS 304 Cb 0.53 -0.04 0.19 0.00 -0.00 0.00 0.00 29.99 30.66 1sqb n HIS 304 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1sqb s GLN 305 N -1.85 0.55 0.12 -0.41 1.11 -1.26 -5.00 119.66 112.92 1sqb s GLN 305 Ca 0.01 -0.38 -0.32 0.00 0.01 0.00 0.00 55.36 54.68 1sqb s GLN 305 Cb 0.05 -1.83 -0.12 0.00 -1.01 0.00 0.00 33.01 30.10 1sqb s GLN 305 CO 0.26 -2.48 1.77 -0.35 0.01 0.00 0.00 175.29 174.50 1sqb n PRO 306 N -3.82 2.57 -3.93 2.91 -0.04 -1.26 -5.02 135.00 126.40 1sqb n PRO 306 Ca 0.15 0.93 -0.09 0.00 -0.04 0.00 0.00 63.50 64.45 1sqb n PRO 306 Cb 0.59 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 31.20 1sqb n PRO 306 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1sqb s PHE 307 N 2.28 0.34 0.01 0.54 -0.12 -1.26 -4.03 117.98 115.73 1sqb s PHE 307 Ca 0.82 -0.72 -0.03 0.00 -0.05 0.00 0.00 56.93 56.95 1sqb s PHE 307 Cb -0.56 -0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 41.77 1sqb s PHE 307 CO 0.39 -0.69 0.04 0.34 -0.05 0.00 0.00 175.22 175.25 1sqb s ASP 308 N -2.95 0.12 -0.11 1.98 -1.08 0.11 -4.98 116.67 109.76 1sqb s ASP 308 Ca 0.15 -0.30 -0.08 0.00 -0.52 0.00 0.00 52.55 51.80 1sqb s ASP 308 Cb 0.04 0.14 0.04 0.00 -1.46 0.00 0.00 42.92 41.67 1sqb s ASP 308 CO -0.02 -0.28 0.27 0.54 0.52 0.00 0.00 175.17 176.20 1sqb s VAL 309 N -1.20 -0.02 -0.01 1.11 0.11 -1.26 -0.73 120.40 118.41 1sqb s VAL 309 Ca -0.13 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 1sqb s VAL 309 Cb -0.08 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1sqb s VAL 309 CO 0.00 0.03 0.17 -0.55 -3.33 0.00 0.00 175.10 171.42 1sqb s SER 310 N 0.73 -0.05 -0.02 3.54 0.15 0.12 -4.70 113.70 113.47 1sqb s SER 310 Ca -0.05 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1sqb s SER 310 Cb -0.06 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1sqb s SER 310 CO -0.05 -0.32 1.36 0.00 1.20 0.00 0.00 173.24 175.43 1sqb s ALA 311 N -1.08 3.56 -0.17 5.45 0.00 0.81 0.33 121.76 130.65 1sqb s ALA 311 Ca -0.12 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 1sqb s ALA 311 Cb -0.06 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 1sqb s ALA 311 CO 0.02 -0.89 0.28 0.12 0.00 0.00 0.00 175.76 175.28 1sqb s PHE 312 N 2.40 3.44 -0.18 0.00 5.36 0.18 -4.69 117.98 124.48 1sqb s PHE 312 Ca 0.62 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 57.10 1sqb s PHE 312 Cb -0.30 -2.33 0.06 0.00 -0.34 0.00 0.00 43.02 40.11 1sqb s PHE 312 CO 0.25 0.21 0.04 1.21 -1.46 0.00 0.00 175.22 175.47 1sqb s ASN 313 N 0.56 2.75 -0.15 6.13 2.47 -1.26 -1.53 114.94 123.90 1sqb s ASN 313 Ca 0.15 -0.75 0.01 0.00 0.42 0.00 0.00 52.86 52.70 1sqb s ASN 313 Cb -0.13 -0.54 0.02 0.00 -1.45 0.00 0.00 41.25 39.15 1sqb s ASN 313 CO 0.04 -0.30 -0.18 0.00 -3.72 0.00 0.00 177.10 172.93 1sqb s ALA 314 N 1.90 2.10 -0.06 1.71 0.00 0.55 -5.02 121.76 122.94 1sqb s ALA 314 Ca -0.00 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1sqb s ALA 314 Cb -0.17 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1sqb s ALA 314 CO -0.08 -0.26 -0.21 -1.12 0.00 0.00 0.00 175.76 174.09 1sqb s SER 315 N 1.21 3.41 0.37 0.00 0.01 -1.26 -0.16 113.70 117.27 1sqb s SER 315 Ca 0.01 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1sqb s SER 315 Cb -0.14 -0.91 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 1sqb s SER 315 CO -0.09 0.26 0.07 -1.22 0.41 0.00 0.00 173.24 172.67 1sqb n TYR 316 N 2.84 0.48 0.09 2.43 4.01 -0.48 -4.78 117.16 121.75 1sqb n TYR 316 Ca -0.17 -2.08 -0.00 0.00 -0.16 0.00 0.00 57.90 55.49 1sqb n TYR 316 Cb 0.52 -0.12 0.29 0.00 -0.31 0.00 0.00 39.34 39.72 1sqb n TYR 316 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sqb h SER 317 N 1.17 0.28 0.00 7.72 4.64 -1.95 0.10 113.55 125.51 1sqb h SER 317 Ca -0.29 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1sqb h SER 317 Cb 1.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1sqb h SER 317 CO 0.48 0.54 0.00 -0.90 -0.87 0.00 0.00 176.83 176.08 1sqb n ASP 318 N -4.15 0.37 -2.72 4.97 5.75 -1.26 -4.63 116.55 114.88 1sqb n ASP 318 Ca -0.01 -1.16 -0.07 0.00 -0.01 0.00 0.00 54.79 53.54 1sqb n ASP 318 Cb 0.37 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1sqb n ASP 318 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1sqb n SER 319 N -0.08 -2.05 -3.43 -1.12 2.88 -1.26 -4.81 113.62 103.76 1sqb n SER 319 Ca 0.00 -2.37 -0.12 0.00 -1.33 0.00 0.00 58.87 55.05 1sqb n SER 319 Cb 0.39 3.40 -0.02 0.00 -0.75 0.00 0.00 64.21 67.23 1sqb n SER 319 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sqb s GLY 320 N -2.98 -0.61 -0.15 0.46 0.00 -1.23 -1.39 107.32 101.43 1sqb s GLY 320 Ca 0.16 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1sqb s GLY 320 CO 0.10 0.15 -0.06 1.08 0.00 0.00 0.00 173.10 174.38 1sqb s LEU 321 N -2.75 1.46 0.00 0.66 1.43 0.77 -2.06 118.68 118.18 1sqb s LEU 321 Ca 0.01 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1sqb s LEU 321 Cb -0.01 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1sqb s LEU 321 CO -0.13 -0.17 -0.25 0.12 0.23 0.00 0.00 176.35 176.15 1sqb s PHE 322 N 1.67 2.36 0.00 0.29 2.19 -0.38 -0.33 117.98 123.78 1sqb s PHE 322 Ca 0.02 -0.41 0.00 0.00 0.33 0.00 0.00 56.93 56.87 1sqb s PHE 322 Cb -0.14 -1.47 0.00 0.00 -1.31 0.00 0.00 43.02 40.09 1sqb s PHE 322 CO -0.08 0.04 0.00 0.41 1.83 0.00 0.00 175.22 177.42 1sqb n GLY 323 N 2.19 -0.77 3.11 13.12 0.00 -0.58 -0.47 105.19 121.80 1sqb n GLY 323 Ca -0.16 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 1sqb n GLY 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sqb s PHE 324 N -2.15 0.63 -0.05 1.61 -0.12 0.89 0.51 117.98 119.30 1sqb s PHE 324 Ca 0.00 -1.05 0.04 0.00 -0.05 0.00 0.00 56.93 55.88 1sqb s PHE 324 Cb 0.00 -0.43 -0.00 0.00 -0.63 0.00 0.00 43.02 41.96 1sqb s PHE 324 CO 0.00 -0.34 -0.18 -0.47 -0.05 0.00 0.00 175.22 174.18 1sqb s TYR 325 N -3.86 1.84 -0.02 3.49 6.14 0.15 -0.79 117.35 124.30 1sqb s TYR 325 Ca 0.09 -0.58 0.06 0.00 0.64 0.00 0.00 57.07 57.28 1sqb s TYR 325 Cb 0.07 -1.25 -0.01 0.00 0.42 0.00 0.00 41.96 41.19 1sqb s TYR 325 CO -0.08 -0.21 -0.19 0.95 0.64 0.00 0.00 175.55 176.65 1sqb s THR 326 N 0.14 1.53 -0.16 4.34 -4.23 0.16 -0.70 115.64 116.71 1sqb s THR 326 Ca -0.07 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1sqb s THR 326 Cb -0.13 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.44 1sqb s THR 326 CO 0.03 0.43 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.73 1sqb s ILE 327 N -0.33 2.24 0.11 2.99 1.01 0.10 -0.86 121.20 126.45 1sqb s ILE 327 Ca 0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1sqb s ILE 327 Cb -0.09 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.48 1sqb s ILE 327 CO 0.00 0.53 0.35 -0.94 0.00 0.00 0.00 174.94 174.89 1sqb s SER 328 N 1.01 -0.16 0.39 3.58 1.04 -0.62 0.05 113.70 119.00 1sqb s SER 328 Ca -0.02 -0.36 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 1sqb s SER 328 Cb -0.15 0.44 -0.11 0.00 0.10 0.00 0.00 66.02 66.31 1sqb s SER 328 CO -0.05 -0.81 1.29 0.00 0.98 0.00 0.00 173.24 174.65 1sqb n GLN 329 N -0.12 2.04 -0.27 4.02 1.13 -1.26 0.77 117.38 123.70 1sqb n GLN 329 Ca -0.16 0.72 0.05 0.00 -1.94 0.00 0.00 57.00 55.68 1sqb n GLN 329 Cb 0.63 -2.39 0.16 0.00 0.11 0.00 0.00 30.24 28.75 1sqb n GLN 329 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sqb h ALA 330 N 2.29 0.76 -0.33 -1.58 0.00 -1.85 -0.07 119.26 118.47 1sqb h ALA 330 Ca -0.47 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1sqb h ALA 330 Cb 1.29 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1sqb h ALA 330 CO 0.61 -0.44 -0.20 0.00 0.00 0.00 0.00 179.25 179.22 1sqb h ALA 331 N 1.77 1.03 0.00 0.00 0.00 -1.91 -3.00 119.26 117.15 1sqb h ALA 331 Ca 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sqb h ALA 331 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sqb h ALA 331 CO -0.74 0.58 0.00 0.43 0.00 0.00 0.00 179.25 179.52 1sqb n SER 332 N -4.13 0.00 -0.16 0.00 7.64 -0.10 -4.31 113.62 112.55 1sqb n SER 332 Ca 0.00 0.39 -0.04 0.00 1.01 0.00 0.00 58.87 60.24 1sqb n SER 332 Cb 0.40 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1sqb n SER 332 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqb h ALA 333 N 2.92 0.14 -0.80 -0.43 0.00 -1.25 -1.46 119.26 118.37 1sqb h ALA 333 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sqb h ALA 333 Cb 0.39 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1sqb h ALA 333 CO 0.00 -0.56 0.39 0.78 0.00 0.00 0.00 179.25 179.86 1sqb h GLY 334 N -0.11 1.23 1.10 0.00 0.00 -1.60 -1.96 103.07 101.73 1sqb h GLY 334 Ca 0.24 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1sqb h GLY 334 CO -0.58 0.57 -0.08 -0.55 0.00 0.00 0.00 176.54 175.90 1sqb h ASP 335 N 1.12 1.05 -0.14 0.19 3.32 -1.68 -0.85 116.42 119.43 1sqb h ASP 335 Ca 0.27 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1sqb h ASP 335 Cb 0.11 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1sqb h ASP 335 CO -0.04 1.14 -0.08 0.58 -1.72 0.00 0.00 179.24 179.13 1sqb h VAL 336 N 0.94 1.32 -0.64 -1.35 2.07 -1.12 -1.23 116.25 116.24 1sqb h VAL 336 Ca 0.15 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1sqb h VAL 336 Cb 0.65 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1sqb h VAL 336 CO 0.05 0.33 0.21 0.40 0.02 0.00 0.00 177.57 178.57 1sqb h ILE 337 N -0.05 1.25 -0.33 4.57 2.04 -1.32 -1.28 117.51 122.39 1sqb h ILE 337 Ca 0.03 -0.84 -0.17 0.00 1.00 0.00 0.00 64.86 64.89 1sqb h ILE 337 Cb 0.55 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1sqb h ILE 337 CO 0.02 0.32 -0.46 0.11 0.00 0.00 0.00 178.15 178.15 1sqb h LYS 338 N 0.91 0.86 -0.47 2.37 1.57 -1.15 0.10 116.57 120.77 1sqb h LYS 338 Ca 0.21 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1sqb h LYS 338 Cb 0.28 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1sqb h LYS 338 CO -0.01 1.13 0.27 0.00 -0.57 0.00 0.00 179.45 180.27 1sqb h ALA 339 N 0.79 0.60 -0.15 3.86 0.00 -1.15 -1.17 119.26 122.04 1sqb h ALA 339 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sqb h ALA 339 Cb 1.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sqb h ALA 339 CO 0.10 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.50 1sqb h ALA 340 N 1.12 0.19 -0.32 0.00 0.00 -0.95 -1.64 119.26 117.66 1sqb h ALA 340 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sqb h ALA 340 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sqb h ALA 340 CO -0.03 -0.19 0.19 -0.92 0.00 0.00 0.00 179.25 178.30 1sqb h TYR 341 N 0.05 0.44 -0.18 0.00 3.20 -0.76 -2.65 116.97 117.08 1sqb h TYR 341 Ca 0.05 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1sqb h TYR 341 Cb 0.23 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1sqb h TYR 341 CO 0.00 0.34 -0.03 -0.91 -1.64 0.00 0.00 178.16 175.92 1sqb h ASN 342 N 0.41 0.23 -0.64 -2.11 -0.26 -1.12 -1.30 115.58 110.79 1sqb h ASN 342 Ca 0.12 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1sqb h ASN 342 Cb 0.04 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 1sqb h ASN 342 CO -0.02 0.31 0.30 -0.61 -1.06 0.00 0.00 177.43 176.35 1sqb h GLN 343 N 0.25 0.93 -0.60 0.81 5.75 -0.96 -2.18 115.11 119.11 1sqb h GLN 343 Ca 0.06 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1sqb h GLN 343 Cb 0.23 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1sqb h GLN 343 CO 0.01 0.75 0.23 0.28 -2.65 0.00 0.00 178.83 177.44 1sqb h VAL 344 N 0.88 1.23 -0.84 2.39 2.07 -1.04 -3.02 116.25 117.92 1sqb h VAL 344 Ca 0.22 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 67.11 1sqb h VAL 344 Cb 0.13 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1sqb h VAL 344 CO -0.03 0.29 0.55 0.11 0.02 0.00 0.00 177.57 178.51 1sqb h LYS 345 N 0.84 0.69 -0.18 1.57 1.57 -0.90 -0.71 116.57 119.45 1sqb h LYS 345 Ca 0.20 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1sqb h LYS 345 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1sqb h LYS 345 CO -0.01 0.46 -0.42 1.79 -0.57 0.00 0.00 179.45 180.69 1sqb h THR 346 N 0.71 1.31 -0.47 -0.16 1.35 -1.27 -0.55 112.91 113.83 1sqb h THR 346 Ca 0.41 -1.58 -0.07 0.00 -0.55 0.00 0.00 66.41 64.61 1sqb h THR 346 Cb 0.59 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1sqb h THR 346 CO -0.17 0.49 0.00 0.40 -0.25 0.00 0.00 175.52 175.99 1sqb h ILE 347 N 0.36 1.26 -0.74 6.82 1.08 -1.16 0.83 117.51 125.97 1sqb h ILE 347 Ca 0.03 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1sqb h ILE 347 Cb 0.89 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1sqb h ILE 347 CO 0.07 0.36 0.44 0.00 -0.69 0.00 0.00 178.15 178.34 1sqb h ALA 348 N 0.92 1.39 0.00 1.87 0.00 -0.99 -1.72 119.26 120.72 1sqb h ALA 348 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sqb h ALA 348 Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sqb h ALA 348 CO 0.02 0.53 0.00 1.96 0.00 0.00 0.00 179.25 181.76 1sqb h GLN 349 N 1.02 0.00 0.00 0.00 4.20 -1.02 -3.44 115.11 115.87 1sqb h GLN 349 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1sqb h GLN 349 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1sqb h GLN 349 CO -0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.52 1sqb n GLY 350 N 0.08 1.20 2.97 3.46 0.00 -0.65 -5.05 105.19 107.20 1sqb n GLY 350 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1sqb n GLY 350 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sqb n ASN 351 N 0.00 4.59 -3.70 1.61 3.02 0.25 -4.86 115.26 116.17 1sqb n ASN 351 Ca 0.00 -2.96 -0.13 0.00 -0.03 0.00 0.00 54.58 51.46 1sqb n ASN 351 Cb 0.00 -1.60 -0.13 0.00 -0.61 0.00 0.00 39.78 37.44 1sqb n ASN 351 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sqb s LEU 352 N 1.56 0.11 0.54 3.41 2.96 -1.26 -4.36 118.68 121.64 1sqb s LEU 352 Ca 0.45 0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1sqb s LEU 352 Cb 0.09 0.67 -0.00 0.00 0.50 0.00 0.00 46.19 47.45 1sqb s LEU 352 CO -0.02 -0.20 0.83 -0.94 -1.32 0.00 0.00 176.35 174.69 1sqb s SER 353 N 1.79 5.74 0.05 3.68 1.04 -1.26 -5.04 113.70 119.70 1sqb s SER 353 Ca -0.04 0.64 -0.23 0.00 0.48 0.00 0.00 55.95 56.80 1sqb s SER 353 Cb -0.11 -1.74 -0.15 0.00 0.10 0.00 0.00 66.02 64.13 1sqb s SER 353 CO -0.08 -0.91 1.50 -1.13 0.98 0.00 0.00 173.24 173.60 1sqb h ASN 354 N 0.02 0.14 -0.50 7.02 -0.73 -2.01 -3.14 115.58 116.37 1sqb h ASN 354 Ca -0.46 -0.28 0.07 0.00 1.87 0.00 0.00 56.30 57.51 1sqb h ASN 354 Cb 1.25 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.77 1sqb h ASN 354 CO 0.60 0.38 0.34 1.55 -0.37 0.00 0.00 177.43 179.93 1sqb h PRO 355 N -0.11 0.39 -0.18 6.67 0.13 -1.99 -1.46 132.00 135.45 1sqb h PRO 355 Ca 0.03 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1sqb h PRO 355 Cb 0.30 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.29 1sqb h PRO 355 CO 0.00 0.26 -0.16 -0.44 -0.23 0.00 0.00 178.00 177.43 1sqb h ASP 356 N 0.40 -0.50 -0.52 1.44 3.32 -1.96 -1.42 116.42 117.18 1sqb h ASP 356 Ca 0.22 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 1sqb h ASP 356 Cb 0.37 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1sqb h ASP 356 CO -0.06 -0.20 0.04 0.58 -1.72 0.00 0.00 179.24 177.88 1sqb h VAL 357 N -0.17 1.26 -0.54 -1.35 2.07 -1.40 -2.75 116.25 113.37 1sqb h VAL 357 Ca 0.11 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.69 1sqb h VAL 357 Cb 0.34 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1sqb h VAL 357 CO -0.28 0.37 0.15 -0.61 0.02 0.00 0.00 177.57 177.21 1sqb h GLN 358 N 0.77 0.29 -0.19 1.57 5.75 -1.00 0.21 115.11 122.50 1sqb h GLN 358 Ca 0.15 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1sqb h GLN 358 Cb 0.47 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1sqb h GLN 358 CO 0.02 0.19 0.05 0.00 -2.65 0.00 0.00 178.83 176.44 1sqb h ALA 359 N 1.40 0.20 -0.87 3.38 0.00 -1.10 -0.46 119.26 121.81 1sqb h ALA 359 Ca 0.27 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1sqb h ALA 359 Cb 0.35 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1sqb h ALA 359 CO -0.32 -0.38 0.57 0.00 0.00 0.00 0.00 179.25 179.12 1sqb h ALA 360 N 1.13 1.14 -0.40 0.00 0.00 -1.11 0.21 119.26 120.23 1sqb h ALA 360 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sqb h ALA 360 Cb 0.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1sqb h ALA 360 CO -0.10 0.43 0.26 -0.22 0.00 0.00 0.00 179.25 179.63 1sqb h LYS 361 N 1.12 0.53 -0.46 0.00 1.63 -0.06 0.11 116.57 119.43 1sqb h LYS 361 Ca 0.34 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.01 1sqb h LYS 361 Cb -0.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1sqb h LYS 361 CO -0.11 0.35 -0.10 -0.91 -3.45 0.00 0.00 179.45 175.24 1sqb h ASN 362 N 0.54 0.82 -0.31 4.20 2.35 -0.21 0.10 115.58 123.07 1sqb h ASN 362 Ca 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1sqb h ASN 362 Cb -0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1sqb h ASN 362 CO -0.03 0.94 0.16 0.11 -1.65 0.00 0.00 177.43 176.95 1sqb h LYS 363 N 0.75 0.45 -0.28 0.81 1.57 -0.60 -1.35 116.57 117.92 1sqb h LYS 363 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1sqb h LYS 363 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1sqb h LYS 363 CO 0.04 0.41 -0.04 1.25 -0.57 0.00 0.00 179.45 180.54 1sqb h LEU 364 N 0.37 0.52 0.84 2.94 5.85 -0.46 0.07 115.31 125.43 1sqb h LEU 364 Ca 0.11 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1sqb h LEU 364 Cb 0.11 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.00 1sqb h LEU 364 CO -0.01 0.74 -0.42 0.11 -0.34 0.00 0.00 178.44 178.52 1sqb h LYS 365 N 0.29 -1.10 -0.77 1.25 1.57 -0.79 -0.78 116.57 116.24 1sqb h LYS 365 Ca 0.07 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1sqb h LYS 365 Cb 0.50 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1sqb h LYS 365 CO 0.02 -0.73 0.31 0.00 -0.57 0.00 0.00 179.45 178.48 1sqb h ALA 366 N -0.98 1.10 -0.36 3.86 0.00 -1.28 -1.28 119.26 120.31 1sqb h ALA 366 Ca -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sqb h ALA 366 Cb 0.88 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1sqb h ALA 366 CO 0.18 0.65 0.20 0.78 0.00 0.00 0.00 179.25 181.05 1sqb h GLY 367 N 1.14 0.49 0.97 0.00 0.00 -0.94 0.23 103.07 104.97 1sqb h GLY 367 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1sqb h GLY 367 CO -0.02 0.12 0.23 -1.82 0.00 0.00 0.00 176.54 175.05 1sqb h TYR 368 N 0.40 0.54 -0.76 5.60 3.20 -0.50 -0.14 116.97 125.32 1sqb h TYR 368 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1sqb h TYR 368 Cb 0.03 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 1sqb h TYR 368 CO -0.08 0.40 0.38 -0.07 -1.64 0.00 0.00 178.16 177.14 1sqb h LEU 369 N 0.52 0.98 -1.22 2.82 3.38 -0.67 -1.81 115.31 119.32 1sqb h LEU 369 Ca 0.14 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1sqb h LEU 369 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1sqb h LEU 369 CO -0.02 0.83 -0.09 0.24 0.09 0.00 0.00 178.44 179.48 1sqb h MET 370 N 1.06 0.43 0.00 1.13 2.86 -0.33 -2.78 114.93 117.30 1sqb h MET 370 Ca 0.26 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1sqb h MET 370 Cb 0.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1sqb h MET 370 CO -0.04 0.53 -0.09 0.66 1.06 0.00 0.00 176.91 179.04 1sqb h SER 371 N 0.40 0.00 -0.26 1.22 4.64 -0.13 -2.68 113.55 116.73 1sqb h SER 371 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1sqb h SER 371 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sqb h SER 371 CO 0.02 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 177.40 1sqb n VAL 372 N -3.38 1.82 -0.21 0.95 0.24 -1.05 -4.33 118.33 112.36 1sqb n VAL 372 Ca -0.01 -1.60 -0.08 0.00 -2.04 0.00 0.00 64.34 60.61 1sqb n VAL 372 Cb 0.26 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1sqb n VAL 372 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1sqb h GLU 373 N 1.69 0.92 -6.64 7.34 4.81 -1.41 -3.35 114.58 117.94 1sqb h GLU 373 Ca 0.00 -0.20 -0.48 0.00 -0.13 0.00 0.00 59.36 58.55 1sqb h GLU 373 Cb 1.17 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.43 1sqb h GLU 373 CO 0.13 0.83 -0.10 -1.54 -0.73 0.00 0.00 179.01 177.60 1sqb s SER 374 N -6.21 6.29 0.39 1.04 1.04 -1.26 -4.96 113.70 110.03 1sqb s SER 374 Ca -0.13 0.61 0.15 0.00 0.48 0.00 0.00 55.95 57.06 1sqb s SER 374 Cb 0.13 -2.10 0.81 0.00 0.10 0.00 0.00 66.02 64.95 1sqb s SER 374 CO 0.81 -0.37 1.85 0.77 0.98 0.00 0.00 173.24 177.28 1sqb h SER 375 N 0.65 0.00 -0.71 7.02 4.64 -1.98 0.15 113.55 123.32 1sqb h SER 375 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1sqb h SER 375 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1sqb h SER 375 CO 0.62 0.34 0.39 -0.08 -0.87 0.00 0.00 176.83 177.23 1sqb h GLU 376 N 0.00 0.99 0.12 4.77 4.81 -1.96 -0.41 114.58 122.91 1sqb h GLU 376 Ca -0.00 -0.11 -0.29 0.00 -0.13 0.00 0.00 59.36 58.82 1sqb h GLU 376 Cb 0.63 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1sqb h GLU 376 CO 0.04 0.73 -1.42 0.78 -0.73 0.00 0.00 179.01 178.42 1sqb h GLY 377 N 0.97 0.30 0.85 1.92 0.00 -1.69 -3.10 103.07 102.31 1sqb h GLY 377 Ca 0.25 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1sqb h GLY 377 CO -0.04 0.67 0.03 -2.75 0.00 0.00 0.00 176.54 174.45 1sqb h PHE 378 N 0.07 0.14 -0.77 5.60 3.57 -0.66 -2.93 116.94 121.96 1sqb h PHE 378 Ca -0.20 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1sqb h PHE 378 Cb 2.00 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.67 1sqb h PHE 378 CO 0.06 0.27 0.35 1.25 -2.23 0.00 0.00 178.31 178.01 1sqb h LEU 379 N -0.03 1.03 -1.22 0.59 6.46 -1.19 -1.88 115.31 119.06 1sqb h LEU 379 Ca 0.03 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.58 1sqb h LEU 379 Cb 0.19 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1sqb h LEU 379 CO -0.00 0.89 -0.18 -0.78 -0.62 0.00 0.00 178.44 177.74 1sqb h ASP 380 N 1.10 0.30 -0.00 1.25 3.58 -1.61 -2.16 116.42 118.88 1sqb h ASP 380 Ca 0.26 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1sqb h ASP 380 Cb 0.15 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1sqb h ASP 380 CO -0.03 0.50 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.72 1sqb h GLU 381 N 0.29 0.03 -0.76 0.28 4.57 -1.27 -2.41 114.58 115.30 1sqb h GLU 381 Ca 0.05 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1sqb h GLU 381 Cb 0.49 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1sqb h GLU 381 CO 0.03 0.75 0.48 0.28 -1.18 0.00 0.00 179.01 179.37 1sqb h VAL 382 N -0.68 1.11 -0.30 0.32 2.07 -1.33 -0.29 116.25 117.14 1sqb h VAL 382 Ca -0.00 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sqb h VAL 382 Cb 0.76 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1sqb h VAL 382 CO 0.01 0.17 0.16 1.23 0.02 0.00 0.00 177.57 179.15 1sqb h GLY 383 N 0.94 0.46 1.37 2.17 0.00 -1.47 0.13 103.07 106.67 1sqb h GLY 383 Ca 0.31 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1sqb h GLY 383 CO -0.11 0.21 -0.05 1.76 0.00 0.00 0.00 176.54 178.35 1sqb h SER 384 N 0.36 0.74 0.02 0.19 0.02 -1.21 -1.84 113.55 111.83 1sqb h SER 384 Ca 0.11 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1sqb h SER 384 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1sqb h SER 384 CO -0.01 0.84 -0.01 1.56 -1.14 0.00 0.00 176.83 178.07 1sqb h GLN 385 N 0.70 -0.02 -0.97 3.45 4.20 -0.83 -0.49 115.11 121.15 1sqb h GLN 385 Ca 0.13 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.99 1sqb h GLN 385 Cb 0.51 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 1sqb h GLN 385 CO 0.03 0.21 0.61 0.00 -0.67 0.00 0.00 178.83 179.01 1sqb h ALA 386 N 0.73 1.68 0.25 3.87 0.00 -0.50 0.34 119.26 125.64 1sqb h ALA 386 Ca -0.00 0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1sqb h ALA 386 Cb 0.24 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 17.92 1sqb h ALA 386 CO 0.00 0.05 -1.48 -0.07 0.00 0.00 0.00 179.25 177.75 1sqb h LEU 387 N 0.83 0.83 0.20 0.00 3.38 -1.24 -1.90 115.31 117.41 1sqb h LEU 387 Ca 0.50 -0.89 -0.32 0.00 0.09 0.00 0.00 57.88 57.26 1sqb h LEU 387 Cb 0.68 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1sqb h LEU 387 CO -0.27 1.70 -1.43 0.00 0.09 0.00 0.00 178.44 178.53 1sqb h ALA 388 N 0.18 -0.03 0.00 1.53 0.00 -0.53 -3.40 119.26 117.01 1sqb h ALA 388 Ca -0.25 -0.91 -0.06 0.00 0.00 0.00 0.00 54.91 53.69 1sqb h ALA 388 Cb 2.16 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 1sqb h ALA 388 CO 0.27 0.84 -1.37 0.00 0.00 0.00 0.00 179.25 179.00 1sqb n ALA 389 N -2.66 2.05 -1.17 0.00 0.00 0.12 -5.02 120.51 113.82 1sqb n ALA 389 Ca -0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 1sqb n ALA 389 Cb 1.07 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 1sqb n ALA 389 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqb n GLY 390 N 2.37 0.82 3.45 0.00 0.00 -0.71 -5.01 105.19 106.10 1sqb n GLY 390 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1sqb n GLY 390 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sqb s SER 391 N -2.81 0.07 -0.14 1.61 1.04 -1.26 -4.98 113.70 107.22 1sqb s SER 391 Ca 0.00 -1.13 -0.00 0.00 0.48 0.00 0.00 55.95 55.29 1sqb s SER 391 Cb 0.00 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1sqb s SER 391 CO 0.00 -1.05 -0.13 -0.47 0.98 0.00 0.00 173.24 172.57 1sqb s TYR 392 N -4.00 2.81 -0.30 5.02 5.04 -1.26 -3.56 117.35 121.10 1sqb s TYR 392 Ca 0.29 -0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 54.07 1sqb s TYR 392 Cb 0.02 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 40.48 1sqb s TYR 392 CO 0.11 -0.32 0.06 0.99 -1.34 0.00 0.00 175.55 175.05 1sqb s THR 393 N 0.57 3.72 0.64 4.34 2.01 -1.26 -5.10 115.64 120.57 1sqb s THR 393 Ca -0.08 -0.88 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1sqb s THR 393 Cb -0.16 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 1sqb s THR 393 CO 0.03 0.02 1.27 -2.84 -0.69 0.00 0.00 174.62 172.41 1sqb s PRO 394 N 1.44 2.62 0.30 4.92 0.02 -1.26 -4.79 135.00 138.25 1sqb s PRO 394 Ca 0.01 1.98 0.06 0.00 0.02 0.00 0.00 61.00 63.07 1sqb s PRO 394 Cb -0.18 -1.86 0.74 0.00 0.02 0.00 0.00 34.50 33.22 1sqb s PRO 394 CO 0.01 -1.52 1.77 -1.00 -0.33 0.00 0.00 177.00 175.93 1sqb h PRO 395 N 0.56 0.70 -0.44 5.54 0.13 -1.99 -1.99 132.00 134.50 1sqb h PRO 395 Ca -0.51 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1sqb h PRO 395 Cb 1.32 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1sqb h PRO 395 CO 0.53 0.46 0.29 0.66 -0.23 0.00 0.00 178.00 179.72 1sqb h SER 396 N 0.72 0.44 0.81 1.44 4.64 -1.99 0.65 113.55 120.26 1sqb h SER 396 Ca 0.58 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.70 1sqb h SER 396 Cb 0.93 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1sqb h SER 396 CO -0.40 0.31 -1.29 0.71 -0.87 0.00 0.00 176.83 175.28 1sqb h THR 397 N 0.51 0.79 -0.25 2.95 1.35 -1.74 -2.64 112.91 113.88 1sqb h THR 397 Ca 0.18 -2.38 -0.02 0.00 -0.55 0.00 0.00 66.41 63.64 1sqb h THR 397 Cb 0.07 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1sqb h THR 397 CO -0.04 0.45 0.09 0.58 -0.25 0.00 0.00 175.52 176.35 1sqb h VAL 398 N 0.00 1.18 0.00 6.82 2.07 -0.79 -1.25 116.25 124.28 1sqb h VAL 398 Ca -0.15 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1sqb h VAL 398 Cb 1.68 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1sqb h VAL 398 CO 0.07 0.18 -0.02 -0.07 0.02 0.00 0.00 177.57 177.75 1sqb h LEU 399 N 0.25 0.00 -0.35 2.57 3.38 -0.99 -0.18 115.31 119.99 1sqb h LEU 399 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1sqb h LEU 399 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sqb h LEU 399 CO -0.01 0.02 -0.28 -0.61 0.09 0.00 0.00 178.44 177.65 1sqb h GLN 400 N 0.00 0.81 -0.32 1.13 4.15 -1.16 -2.13 115.11 117.58 1sqb h GLN 400 Ca -0.00 -0.40 -0.12 0.00 0.77 0.00 0.00 58.65 58.90 1sqb h GLN 400 Cb 0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1sqb h GLN 400 CO 0.00 1.03 -0.29 1.96 -1.93 0.00 0.00 178.83 179.61 1sqb h GLN 401 N 0.59 0.67 -0.44 1.69 4.20 0.02 -1.80 115.11 120.05 1sqb h GLN 401 Ca 0.06 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1sqb h GLN 401 Cb 0.86 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1sqb h GLN 401 CO 0.07 0.88 0.16 0.82 -0.67 0.00 0.00 178.83 180.10 1sqb h ILE 402 N 0.58 1.21 -0.49 2.54 2.04 -1.10 -2.96 117.51 119.32 1sqb h ILE 402 Ca 0.07 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1sqb h ILE 402 Cb 0.78 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1sqb h ILE 402 CO 0.06 0.24 0.22 0.44 0.00 0.00 0.00 178.15 179.11 1sqb h ASP 403 N 0.56 0.62 0.36 1.72 3.32 -1.18 -2.95 116.42 118.87 1sqb h ASP 403 Ca 0.14 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1sqb h ASP 403 Cb 0.21 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1sqb h ASP 403 CO -0.01 0.54 -0.09 0.00 -1.72 0.00 0.00 179.24 177.96 1sqb h ALA 404 N 1.56 1.25 -2.16 3.45 0.00 -1.16 -3.42 119.26 118.79 1sqb h ALA 404 Ca 0.17 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1sqb h ALA 404 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sqb h ALA 404 CO -0.02 0.11 1.31 0.28 0.00 0.00 0.00 179.25 180.93 1sqb n VAL 405 N -3.56 0.60 -2.48 0.00 0.31 -1.12 -5.00 118.33 107.09 1sqb n VAL 405 Ca -0.02 -0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 63.78 1sqb n VAL 405 Cb 0.22 -2.32 -0.01 0.00 -0.91 0.00 0.00 33.84 30.81 1sqb n VAL 405 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqb s ALA 406 N 5.71 3.28 0.41 3.52 0.00 -1.26 -5.00 121.76 128.42 1sqb s ALA 406 Ca 0.94 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.74 1sqb s ALA 406 Cb -0.45 -2.79 0.92 0.00 0.00 0.00 0.00 23.12 20.80 1sqb s ALA 406 CO 0.41 -0.33 2.01 -0.44 0.00 0.00 0.00 175.76 177.41 1sqb h ASP 407 N 0.43 0.45 -0.71 0.00 3.32 -1.98 -2.02 116.42 115.91 1sqb h ASP 407 Ca -0.46 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1sqb h ASP 407 Cb 1.19 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1sqb h ASP 407 CO 0.62 0.30 0.24 0.00 -1.72 0.00 0.00 179.24 178.68 1sqb h ALA 408 N 1.71 1.06 -0.57 3.45 0.00 -1.99 -2.23 119.26 120.69 1sqb h ALA 408 Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sqb h ALA 408 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1sqb h ALA 408 CO -0.06 0.64 0.26 -0.44 0.00 0.00 0.00 179.25 179.66 1sqb h ASP 409 N 1.06 0.73 -0.27 0.00 3.32 -1.76 0.12 116.42 119.63 1sqb h ASP 409 Ca 0.24 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1sqb h ASP 409 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1sqb h ASP 409 CO -0.01 0.63 -0.06 0.58 -1.72 0.00 0.00 179.24 178.66 1sqb h VAL 410 N 0.81 1.28 -0.54 -1.35 2.07 -1.33 -1.75 116.25 115.44 1sqb h VAL 410 Ca 0.20 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1sqb h VAL 410 Cb 0.10 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1sqb h VAL 410 CO -0.02 0.34 0.26 0.40 0.02 0.00 0.00 177.57 178.56 1sqb h ILE 411 N 0.27 1.20 -0.31 4.57 2.04 -0.92 -2.00 117.51 122.37 1sqb h ILE 411 Ca 0.07 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1sqb h ILE 411 Cb 0.53 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1sqb h ILE 411 CO 0.03 0.23 -0.01 0.78 0.00 0.00 0.00 178.15 179.18 1sqb h ASN 412 N 0.72 0.44 -0.61 1.72 2.35 -0.75 0.21 115.58 119.66 1sqb h ASN 412 Ca 0.18 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 1sqb h ASN 412 Cb 0.13 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1sqb h ASN 412 CO -0.02 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.27 1sqb h ALA 413 N 1.54 0.84 -0.30 -0.83 0.00 -1.06 -0.22 119.26 119.23 1sqb h ALA 413 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sqb h ALA 413 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sqb h ALA 413 CO 0.01 0.67 0.05 0.00 0.00 0.00 0.00 179.25 179.99 1sqb h ALA 414 N 1.00 0.40 -0.55 0.00 0.00 -0.60 -2.59 119.26 116.91 1sqb h ALA 414 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1sqb h ALA 414 Cb 0.56 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1sqb h ALA 414 CO 0.03 0.08 0.14 0.87 0.00 0.00 0.00 179.25 180.37 1sqb h LYS 415 N 0.32 0.28 -0.86 0.00 1.57 -0.37 -1.22 116.57 116.29 1sqb h LYS 415 Ca 0.09 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1sqb h LYS 415 Cb 0.33 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1sqb h LYS 415 CO 0.00 0.19 0.57 -0.22 -0.57 0.00 0.00 179.45 179.42 1sqb h LYS 416 N 0.29 1.11 0.25 3.15 1.63 -0.93 -2.42 116.57 119.65 1sqb h LYS 416 Ca 0.28 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1sqb h LYS 416 Cb 0.38 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1sqb h LYS 416 CO -0.34 0.73 -0.12 0.35 -3.45 0.00 0.00 179.45 176.62 1sqb h PHE 417 N 1.14 -0.32 -0.95 1.91 3.57 -0.87 -2.56 116.94 118.87 1sqb h PHE 417 Ca 0.32 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.97 1sqb h PHE 417 Cb -0.10 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.65 1sqb h PHE 417 CO -0.01 0.01 0.56 0.28 -2.23 0.00 0.00 178.31 176.92 1sqb h VAL 418 N -0.68 0.76 -0.01 1.41 2.07 -1.05 -2.68 116.25 116.08 1sqb h VAL 418 Ca -0.03 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1sqb h VAL 418 Cb 0.47 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1sqb h VAL 418 CO 0.06 0.14 -0.39 -1.54 0.02 0.00 0.00 177.57 175.86 1sqb n SER 419 N -4.77 1.57 -4.89 0.57 3.41 -0.93 -4.95 113.62 103.62 1sqb n SER 419 Ca 0.20 -1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.26 1sqb n SER 419 Cb 0.47 0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1sqb n SER 419 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sqb s GLY 420 N -2.50 2.25 0.08 5.00 0.00 -0.96 -5.03 107.32 106.16 1sqb s GLY 420 Ca 0.21 -0.53 -0.35 0.00 0.00 0.00 0.00 44.72 44.05 1sqb s GLY 420 CO 0.55 -0.43 1.57 -2.13 0.00 0.00 0.00 173.10 172.66 1sqb n ARG 421 N 0.19 1.85 -3.17 2.90 0.63 -1.26 -4.89 116.66 112.91 1sqb n ARG 421 Ca -0.03 0.67 -0.30 0.00 -0.92 0.00 0.00 57.85 57.27 1sqb n ARG 421 Cb 0.52 -2.41 -0.04 0.00 0.45 0.00 0.00 32.46 30.98 1sqb n ARG 421 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1sqb s LYS 422 N 1.41 3.75 -0.06 -0.14 -0.14 -1.26 -4.35 119.74 118.95 1sqb s LYS 422 Ca 0.83 0.27 0.04 0.00 -1.36 0.00 0.00 55.97 55.76 1sqb s LYS 422 Cb -0.77 -2.54 -0.00 0.00 -1.68 0.00 0.00 37.83 32.84 1sqb s LYS 422 CO 0.44 0.14 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.86 1sqb s SER 423 N -2.93 2.41 0.01 2.83 0.01 0.10 -2.31 113.70 113.82 1sqb s SER 423 Ca 0.48 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1sqb s SER 423 Cb -0.11 -0.78 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 1sqb s SER 423 CO 0.28 0.16 -0.08 -0.32 0.41 0.00 0.00 173.24 173.68 1sqb s MET 424 N 0.12 0.61 -0.02 12.44 1.75 -0.52 -1.13 119.30 132.54 1sqb s MET 424 Ca -0.07 -0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1sqb s MET 424 Cb -0.13 -0.56 0.03 0.00 2.84 0.00 0.00 34.83 37.01 1sqb s MET 424 CO 0.04 0.14 0.04 0.00 -0.65 0.00 0.00 175.02 174.59 1sqb s ALA 425 N -0.45 0.05 -0.03 4.11 0.00 -0.97 -0.87 121.76 123.60 1sqb s ALA 425 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.23 1sqb s ALA 425 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1sqb s ALA 425 CO 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 175.76 175.77 1sqb s ALA 426 N 1.00 -0.28 0.00 0.00 0.00 -0.95 -0.48 121.76 121.06 1sqb s ALA 426 Ca -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1sqb s ALA 426 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1sqb s ALA 426 CO -0.03 -0.12 0.02 -1.54 0.00 0.00 0.00 175.76 174.09 1sqb s SER 427 N -0.54 0.10 0.00 0.00 1.04 -0.15 -1.32 113.70 112.83 1sqb s SER 427 Ca -0.06 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1sqb s SER 427 Cb -0.04 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1sqb s SER 427 CO 0.01 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1sqb n GLY 428 N 2.15 0.70 3.49 7.32 0.00 -0.84 -1.44 105.19 116.57 1sqb n GLY 428 Ca -0.19 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1sqb n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sqb s ASN 429 N -4.00 6.23 -0.01 1.61 3.84 -1.26 -0.71 114.94 120.64 1sqb s ASN 429 Ca 0.00 -0.69 0.11 0.00 0.21 0.00 0.00 52.86 52.49 1sqb s ASN 429 Cb 0.00 -2.44 0.33 0.00 -0.55 0.00 0.00 41.25 38.59 1sqb s ASN 429 CO 0.00 -1.41 1.26 0.18 -2.79 0.00 0.00 177.10 174.34 1sqb n LEU 430 N 7.82 2.08 -0.20 3.21 4.77 -1.26 -4.43 117.00 129.00 1sqb n LEU 430 Ca -0.01 -1.04 0.28 0.00 -0.03 0.00 0.00 56.01 55.21 1sqb n LEU 430 Cb 0.47 -0.27 0.70 0.00 -2.33 0.00 0.00 43.42 41.99 1sqb n LEU 430 CO 0.65 0.49 1.26 1.23 -1.33 0.00 0.00 177.39 179.69 1sqb h GLY 431 N 5.14 0.10 -0.06 -0.72 0.00 -1.91 -0.61 103.07 105.01 1sqb h GLY 431 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1sqb h GLY 431 CO 0.02 -0.01 0.00 1.42 0.00 0.00 0.00 176.54 177.97 1sqb n HIS 432 N -4.29 0.02 -2.95 5.60 8.25 -1.26 -4.98 115.22 115.61 1sqb n HIS 432 Ca 0.19 -0.40 -0.41 0.00 -0.26 0.00 0.00 57.72 56.84 1sqb n HIS 432 Cb 0.96 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.98 1sqb n HIS 432 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1sqb s THR 433 N -0.80 4.89 0.44 1.59 2.01 -0.24 -2.04 115.64 121.50 1sqb s THR 433 Ca 0.01 1.48 -0.22 0.00 0.31 0.00 0.00 61.69 63.26 1sqb s THR 433 Cb 0.01 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 1sqb s THR 433 CO 0.01 -0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.85 1sqb s PRO 434 N 2.48 3.93 0.91 4.92 0.04 -1.26 -4.98 135.00 141.03 1sqb s PRO 434 Ca 0.34 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1sqb s PRO 434 Cb -0.16 -2.36 0.14 0.00 0.04 0.00 0.00 34.50 32.16 1sqb s PRO 434 CO 0.09 -0.35 1.14 -0.06 0.04 0.00 0.00 177.00 177.86 1sqb s PHE 435 N -1.73 2.53 0.07 0.56 0.40 -1.26 -4.97 117.98 113.59 1sqb s PHE 435 Ca 0.62 0.84 -0.24 0.00 -0.60 0.00 0.00 56.93 57.56 1sqb s PHE 435 Cb -0.22 -3.40 -0.16 0.00 0.51 0.00 0.00 43.02 39.75 1sqb s PHE 435 CO 0.27 -2.34 1.66 0.82 0.70 0.00 0.00 175.22 176.34 1sqb h ILE 436 N -1.47 1.04 0.00 0.64 2.04 -1.98 -2.69 117.51 115.09 1sqb h ILE 436 Ca -0.50 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1sqb h ILE 436 Cb 1.33 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1sqb h ILE 436 CO 0.62 0.05 0.00 0.47 0.00 0.00 0.00 178.15 179.29 1sqb n ASP 437 N -5.06 0.00 -0.98 1.72 9.92 -1.26 -1.12 116.55 119.76 1sqb n ASP 437 Ca -0.07 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.29 1sqb n ASP 437 Cb 0.07 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 40.72 1sqb n ASP 437 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sqb n GLU 438 N -3.47 2.24 0.00 -1.24 1.02 -1.01 -5.26 120.64 112.92 1sqb n GLU 438 Ca 0.00 -2.06 0.16 0.00 -0.02 0.00 0.00 57.16 55.24 1sqb n GLU 438 Cb 0.00 -1.44 0.93 0.00 -0.02 0.00 0.00 31.44 30.91 1sqb n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59