#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqp n PRO 18 N 0.00 0.75 -2.31 5.55 -0.05 -1.26 -5.11 135.00 132.56 1sqp n PRO 18 Ca 0.00 -1.33 -0.39 0.00 -0.05 0.00 0.00 63.50 61.72 1sqp n PRO 18 Cb 0.00 -0.13 -0.03 0.00 -0.05 0.00 0.00 33.50 33.29 1sqp n PRO 18 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 175.50 173.31 1sqp s PRO 19 N -3.21 4.30 0.00 0.54 0.02 -1.26 -5.00 135.00 130.40 1sqp s PRO 19 Ca 0.27 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 1sqp s PRO 19 Cb -0.02 -2.92 -0.07 0.00 0.02 0.00 0.00 34.50 31.51 1sqp s PRO 19 CO 0.17 -0.12 1.79 -1.58 -0.33 0.00 0.00 177.00 176.93 1sqp s HIS 20 N -1.28 1.72 0.28 6.54 2.46 -1.26 -4.95 115.29 118.79 1sqp s HIS 20 Ca 0.51 -0.08 -0.29 0.00 0.47 0.00 0.00 55.06 55.66 1sqp s HIS 20 Cb -0.33 -4.07 -0.10 0.00 -0.13 0.00 0.00 32.58 27.95 1sqp s HIS 20 CO 0.42 -4.62 1.38 -1.25 -2.47 0.00 0.00 174.74 168.20 1sqp s PRO 21 N 4.06 4.31 1.07 2.88 0.04 -1.26 -5.02 135.00 141.07 1sqp s PRO 21 Ca 0.80 2.25 -0.14 0.00 0.04 0.00 0.00 61.00 63.95 1sqp s PRO 21 Cb -0.38 -3.10 0.22 0.00 0.04 0.00 0.00 34.50 31.28 1sqp s PRO 21 CO 0.35 -0.32 1.09 -0.65 0.04 0.00 0.00 177.00 177.51 1sqp s GLN 22 N -0.93 -0.11 0.04 4.56 -1.52 -1.26 -5.07 119.66 115.37 1sqp s GLN 22 Ca 0.55 0.41 0.03 0.00 -1.95 0.00 0.00 55.36 54.40 1sqp s GLN 22 Cb -0.41 -1.68 -0.04 0.00 -0.22 0.00 0.00 33.01 30.66 1sqp s GLN 22 CO 0.47 -3.07 -0.00 -0.51 -0.25 0.00 0.00 175.29 171.92 1sqp s ASP 23 N -3.44 5.06 0.17 5.90 1.01 -1.26 -5.01 116.67 119.10 1sqp s ASP 23 Ca 0.67 -0.09 -0.31 0.00 0.71 0.00 0.00 52.55 53.52 1sqp s ASP 23 Cb -0.18 -1.27 -0.10 0.00 1.01 0.00 0.00 42.92 42.39 1sqp s ASP 23 CO 0.58 0.23 1.54 -0.22 0.21 0.00 0.00 175.17 177.51 1sqp s LEU 24 N -1.91 4.37 -0.03 1.23 0.20 -1.26 -4.73 118.68 116.55 1sqp s LEU 24 Ca 0.22 2.59 -0.18 0.00 0.69 0.00 0.00 54.13 57.46 1sqp s LEU 24 Cb -0.12 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.00 1sqp s LEU 24 CO 0.14 -0.79 0.50 -1.61 -0.29 0.00 0.00 176.35 174.29 1sqp s GLU 25 N 0.98 4.19 0.01 1.98 0.41 -0.20 -4.96 118.70 121.12 1sqp s GLU 25 Ca 0.68 0.54 0.04 0.00 -0.41 0.00 0.00 54.97 55.82 1sqp s GLU 25 Cb -0.43 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 28.58 1sqp s GLU 25 CO 0.32 0.43 -0.12 0.12 -0.49 0.00 0.00 175.26 175.53 1sqp s PHE 26 N -0.30 1.03 -0.21 1.61 2.19 -1.26 -1.64 117.98 119.40 1sqp s PHE 26 Ca 0.27 -0.27 -0.09 0.00 0.33 0.00 0.00 56.93 57.17 1sqp s PHE 26 Cb -0.17 -0.64 0.08 0.00 -1.31 0.00 0.00 43.02 40.99 1sqp s PHE 26 CO 0.14 -0.00 0.46 0.99 1.83 0.00 0.00 175.22 178.64 1sqp s THR 27 N -0.56 -0.42 -0.22 0.12 2.01 -0.45 -5.02 115.64 111.10 1sqp s THR 27 Ca 0.02 0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.95 1sqp s THR 27 Cb -0.06 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1sqp s THR 27 CO 0.00 0.05 0.50 -0.13 -0.69 0.00 0.00 174.62 174.35 1sqp s ARG 28 N 2.15 4.15 0.54 4.92 0.52 -1.26 -0.73 118.95 129.25 1sqp s ARG 28 Ca -0.05 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.36 1sqp s ARG 28 Cb -0.10 -3.58 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 1sqp s ARG 28 CO -0.14 -0.19 1.01 -0.51 0.02 0.00 0.00 175.30 175.49 1sqp s LEU 29 N 1.78 3.58 0.33 2.53 1.43 -0.06 -4.97 118.68 123.30 1sqp s LEU 29 Ca 0.23 1.66 0.11 0.00 -1.03 0.00 0.00 54.13 55.10 1sqp s LEU 29 Cb -0.15 -4.52 0.96 0.00 0.03 0.00 0.00 46.19 42.50 1sqp s LEU 29 CO 0.09 -0.79 1.70 -0.65 0.23 0.00 0.00 176.35 176.93 1sqp h PRO 30 N 0.76 0.44 0.00 1.29 0.10 -1.99 -1.73 132.00 130.87 1sqp h PRO 30 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.61 1sqp h PRO 30 Cb 1.20 -0.10 0.00 0.00 0.10 0.00 0.00 31.00 32.20 1sqp h PRO 30 CO 0.60 0.29 0.00 0.27 0.10 0.00 0.00 178.00 179.26 1sqp n ASN 31 N -4.98 0.00 0.00 -2.05 0.23 -1.26 -4.81 115.26 102.39 1sqp n ASN 31 Ca 0.29 0.18 0.00 0.00 -0.53 0.00 0.00 54.58 54.51 1sqp n ASN 31 Cb 0.84 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1sqp n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sqp n GLY 32 N -0.18 2.18 3.74 4.83 0.00 -0.65 -3.56 105.19 111.55 1sqp n GLY 32 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1sqp n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqp s LEU 33 N 0.00 3.52 -0.05 0.99 2.96 -1.18 -4.57 118.68 120.36 1sqp s LEU 33 Ca 0.00 2.39 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 1sqp s LEU 33 Cb 0.00 -4.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.09 1sqp s LEU 33 CO 0.00 -1.87 -0.18 -0.69 -1.32 0.00 0.00 176.35 172.29 1sqp s VAL 34 N -1.74 1.49 -0.11 1.68 1.01 -1.12 -0.88 120.40 120.72 1sqp s VAL 34 Ca 0.76 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1sqp s VAL 34 Cb -0.30 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1sqp s VAL 34 CO 0.38 0.43 -0.23 -0.63 0.00 0.00 0.00 175.10 175.05 1sqp s ILE 35 N 0.06 2.10 -0.03 2.22 1.01 0.10 -0.62 121.20 126.04 1sqp s ILE 35 Ca -0.05 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1sqp s ILE 35 Cb -0.12 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.56 1sqp s ILE 35 CO 0.03 0.56 -0.04 0.00 0.00 0.00 0.00 174.94 175.49 1sqp s ALA 36 N 0.49 0.56 0.11 9.38 0.00 -1.02 -1.34 121.76 129.94 1sqp s ALA 36 Ca -0.15 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1sqp s ALA 36 Cb -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1sqp s ALA 36 CO 0.06 -0.00 -0.10 -1.54 0.00 0.00 0.00 175.76 174.17 1sqp s SER 37 N 0.79 1.53 -0.18 0.00 1.04 -0.65 -0.79 113.70 115.43 1sqp s SER 37 Ca -0.10 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.41 1sqp s SER 37 Cb -0.13 0.01 0.09 0.00 0.10 0.00 0.00 66.02 66.09 1sqp s SER 37 CO -0.00 -0.29 0.31 -0.22 0.98 0.00 0.00 173.24 174.01 1sqp s LEU 38 N -2.67 -0.40 -0.87 2.42 0.20 -0.75 -1.03 118.68 115.58 1sqp s LEU 38 Ca 0.09 0.45 -0.24 0.00 0.69 0.00 0.00 54.13 55.12 1sqp s LEU 38 Cb -0.01 0.85 0.06 0.00 -0.43 0.00 0.00 46.19 46.65 1sqp s LEU 38 CO -0.00 -0.27 1.29 -0.70 -0.29 0.00 0.00 176.35 176.39 1sqp s GLU 39 N 2.46 3.40 0.00 1.98 2.56 -1.26 -2.05 118.70 125.80 1sqp s GLU 39 Ca 0.04 -0.89 0.22 0.00 0.00 0.00 0.00 54.97 54.35 1sqp s GLU 39 Cb -0.13 -4.79 0.57 0.00 2.00 0.00 0.00 34.13 31.78 1sqp s GLU 39 CO -0.11 -2.09 1.47 0.27 -0.56 0.00 0.00 175.26 174.24 1sqp n ASN 40 N 8.59 2.55 -1.63 -1.70 6.94 -1.26 -4.44 115.26 124.32 1sqp n ASN 40 Ca 0.18 -1.85 -0.17 0.00 -0.02 0.00 0.00 54.58 52.71 1sqp n ASN 40 Cb 0.49 -0.15 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 1sqp n ASN 40 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1sqp n TYR 41 N 0.92 -0.32 -2.12 -2.53 4.01 -1.26 -4.95 117.16 110.90 1sqp n TYR 41 Ca 0.17 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.55 1sqp n TYR 41 Cb 0.47 -3.11 0.02 0.00 -0.31 0.00 0.00 39.34 36.41 1sqp n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sqp s ALA 42 N -2.52 2.72 0.29 -0.72 0.00 -1.26 -4.94 121.76 115.32 1sqp s ALA 42 Ca 0.00 0.98 0.31 0.00 0.00 0.00 0.00 51.96 53.24 1sqp s ALA 42 Cb 0.00 -3.42 1.42 0.00 0.00 0.00 0.00 23.12 21.12 1sqp s ALA 42 CO 0.00 -0.95 2.02 -1.35 0.00 0.00 0.00 175.76 175.48 1sqp h PRO 43 N 1.32 0.00 -6.02 0.00 0.11 -1.98 -3.45 132.00 121.97 1sqp h PRO 43 Ca -0.50 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.05 1sqp h PRO 43 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1sqp h PRO 43 CO 0.57 0.10 -0.31 0.00 -0.21 0.00 0.00 178.00 178.15 1sqp s ALA 44 N -3.90 4.35 0.02 -0.75 0.00 -1.26 -2.69 121.76 117.52 1sqp s ALA 44 Ca -0.01 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1sqp s ALA 44 Cb 0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1sqp s ALA 44 CO 0.56 -0.43 -0.03 -1.12 0.00 0.00 0.00 175.76 174.74 1sqp s SER 45 N -4.27 0.33 -0.04 0.00 0.01 0.10 -4.59 113.70 105.24 1sqp s SER 45 Ca 0.39 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.28 1sqp s SER 45 Cb -0.02 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1sqp s SER 45 CO 0.24 -0.19 0.01 -0.60 0.41 0.00 0.00 173.24 173.10 1sqp s ARG 46 N -1.06 0.32 -0.09 12.44 3.52 0.87 -2.21 118.95 132.74 1sqp s ARG 46 Ca -0.10 0.11 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1sqp s ARG 46 Cb -0.07 -0.57 0.01 0.00 -1.56 0.00 0.00 34.95 32.75 1sqp s ARG 46 CO -0.00 -0.18 -0.19 0.42 -0.81 0.00 0.00 175.30 174.54 1sqp s ILE 47 N 1.30 1.67 -0.14 4.11 1.01 -0.58 0.89 121.20 129.47 1sqp s ILE 47 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1sqp s ILE 47 Cb -0.13 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1sqp s ILE 47 CO -0.02 0.47 -0.14 -0.83 0.00 0.00 0.00 174.94 174.42 1sqp s GLY 48 N 0.58 1.10 -0.39 6.18 0.00 0.10 -0.89 107.32 114.00 1sqp s GLY 48 Ca -0.15 -0.85 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 1sqp s GLY 48 CO 0.05 0.46 0.63 -2.27 0.00 0.00 0.00 173.10 171.97 1sqp s LEU 49 N 1.37 4.35 -0.17 0.66 2.96 0.26 0.01 118.68 128.12 1sqp s LEU 49 Ca 0.02 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.79 1sqp s LEU 49 Cb -0.13 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 1sqp s LEU 49 CO -0.08 -0.66 0.12 -0.36 -1.32 0.00 0.00 176.35 174.05 1sqp s PHE 50 N 2.74 3.45 -0.03 5.38 0.40 0.45 -0.44 117.98 129.92 1sqp s PHE 50 Ca 0.23 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.96 1sqp s PHE 50 Cb -0.14 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.32 1sqp s PHE 50 CO 0.16 0.43 -0.12 0.42 0.70 0.00 0.00 175.22 176.82 1sqp s ILE 51 N -0.14 0.99 -1.11 0.64 1.01 0.24 -0.88 121.20 121.96 1sqp s ILE 51 Ca 0.10 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1sqp s ILE 51 Cb -0.11 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1sqp s ILE 51 CO 0.00 0.30 1.92 -0.54 0.00 0.00 0.00 174.94 176.62 1sqp s LYS 52 N 0.19 2.60 0.00 2.79 1.02 -0.18 -0.11 119.74 126.05 1sqp s LYS 52 Ca -0.04 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1sqp s LYS 52 Cb -0.10 -5.21 0.00 0.00 -0.52 0.00 0.00 37.83 32.00 1sqp s LYS 52 CO 0.01 -3.72 0.41 0.00 -0.92 0.00 0.00 175.35 171.13 1sqp n ALA 53 N 13.91 1.30 -0.43 5.17 0.00 -1.02 -4.87 120.51 134.58 1sqp n ALA 53 Ca 0.44 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1sqp n ALA 53 Cb 0.47 -0.08 0.21 0.00 0.00 0.00 0.00 19.45 20.05 1sqp n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqp n GLY 54 N 0.00 -3.48 0.38 0.00 0.00 -0.15 -4.65 105.19 97.30 1sqp n GLY 54 Ca 0.00 -1.13 0.20 0.00 0.00 0.00 0.00 46.02 45.09 1sqp n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sqp h SER 55 N -3.17 0.04 -0.04 1.61 4.64 -1.43 -2.49 113.55 112.71 1sqp h SER 55 Ca -0.28 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1sqp h SER 55 Cb 0.95 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1sqp h SER 55 CO 0.17 0.02 0.04 0.08 -0.87 0.00 0.00 176.83 176.28 1sqp h ARG 56 N 0.05 0.00 -0.04 4.77 0.11 -1.30 -1.63 114.38 116.33 1sqp h ARG 56 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1sqp h ARG 56 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1sqp h ARG 56 CO -0.01 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.72 1sqp n TYR 57 N -3.97 0.05 -2.32 4.08 4.01 -0.94 -4.69 117.16 113.38 1sqp n TYR 57 Ca -0.02 -0.02 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 1sqp n TYR 57 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1sqp n TYR 57 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1sqp s GLU 58 N -1.95 3.71 0.47 -0.72 2.02 -0.62 -5.08 118.70 116.54 1sqp s GLU 58 Ca 0.37 1.12 0.03 0.00 0.02 0.00 0.00 54.97 56.52 1sqp s GLU 58 Cb 0.19 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 1sqp s GLU 58 CO 0.30 -0.48 0.01 0.54 0.02 0.00 0.00 175.26 175.66 1sqp s ASN 59 N -2.74 4.05 0.00 -0.19 2.20 -1.26 -4.97 114.94 112.03 1sqp s ASN 59 Ca 0.62 -1.54 0.05 0.00 -0.94 0.00 0.00 52.86 51.04 1sqp s ASN 59 Cb -0.13 0.18 0.22 0.00 -2.00 0.00 0.00 41.25 39.52 1sqp s ASN 59 CO 0.30 -0.71 1.04 -1.54 -2.94 0.00 0.00 177.10 173.25 1sqp n SER 60 N -1.16 0.00 -0.01 3.54 3.41 -1.26 -2.03 113.62 116.11 1sqp n SER 60 Ca -0.14 0.32 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 1sqp n SER 60 Cb 0.67 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 1sqp n SER 60 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sqp n ASN 61 N -1.36 0.87 -2.14 4.04 3.02 -1.26 -4.64 115.26 113.79 1sqp n ASN 61 Ca 0.02 -0.35 -0.03 0.00 -0.03 0.00 0.00 54.58 54.19 1sqp n ASN 61 Cb 0.04 1.51 0.05 0.00 -0.61 0.00 0.00 39.78 40.77 1sqp n ASN 61 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sqp n ASN 62 N -1.85 2.15 -4.77 6.41 6.94 -0.86 -5.11 115.26 118.17 1sqp n ASN 62 Ca -0.01 -2.57 -0.41 0.00 -0.02 0.00 0.00 54.58 51.58 1sqp n ASN 62 Cb 0.39 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1sqp n ASN 62 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1sqp s LEU 63 N -2.84 4.28 0.00 -4.53 2.01 -1.14 -2.35 118.68 114.11 1sqp s LEU 63 Ca 0.35 2.97 0.00 0.00 0.01 0.00 0.00 54.13 57.45 1sqp s LEU 63 Cb 0.36 -3.74 0.00 0.00 0.01 0.00 0.00 46.19 42.82 1sqp s LEU 63 CO -0.06 -0.91 0.00 0.61 1.01 0.00 0.00 176.35 177.01 1sqp n GLY 64 N 0.53 0.89 0.33 -3.19 0.00 -1.26 -4.80 105.19 97.68 1sqp n GLY 64 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1sqp n GLY 64 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sqp h THR 65 N 0.00 1.25 0.00 2.61 2.02 -1.88 -1.91 112.91 115.00 1sqp h THR 65 Ca 0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1sqp h THR 65 Cb 0.00 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1sqp h THR 65 CO 0.00 0.33 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 1sqp n SER 66 N -4.27 0.02 -0.02 4.18 3.41 -1.26 -1.46 113.62 114.23 1sqp n SER 66 Ca 0.06 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.17 1sqp n SER 66 Cb 0.20 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 1sqp n SER 66 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sqp h HIS 67 N 0.00 -0.06 -0.94 7.33 6.17 -1.63 -2.75 115.15 123.27 1sqp h HIS 67 Ca 0.00 -0.00 0.19 0.00 0.71 0.00 0.00 60.37 61.26 1sqp h HIS 67 Cb 0.46 0.02 -0.08 0.00 2.52 0.00 0.00 27.41 30.33 1sqp h HIS 67 CO 0.00 -0.04 0.60 1.25 0.71 0.00 0.00 177.93 180.45 1sqp h LEU 68 N -0.96 0.59 -0.71 0.26 5.85 -1.39 0.35 115.31 119.30 1sqp h LEU 68 Ca -0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1sqp h LEU 68 Cb 0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1sqp h LEU 68 CO 0.01 0.24 0.46 0.25 -0.34 0.00 0.00 178.44 179.07 1sqp h LEU 69 N 0.60 0.78 -1.20 2.25 6.46 -1.38 0.77 115.31 123.58 1sqp h LEU 69 Ca 0.50 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.19 1sqp h LEU 69 Cb 0.98 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1sqp h LEU 69 CO -0.25 0.55 -0.17 -0.09 -0.62 0.00 0.00 178.44 177.86 1sqp h ARG 70 N 0.92 0.35 0.00 1.25 2.43 -0.04 -1.39 114.38 117.89 1sqp h ARG 70 Ca 0.27 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1sqp h ARG 70 Cb -0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1sqp h ARG 70 CO -0.08 0.52 -0.00 1.28 -1.51 0.00 0.00 179.97 180.17 1sqp n LEU 71 N -4.21 0.48 -0.80 3.80 4.77 -0.50 -3.81 117.00 116.73 1sqp n LEU 71 Ca -0.00 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1sqp n LEU 71 Cb 0.32 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.32 1sqp n LEU 71 CO 0.40 -0.11 0.74 0.00 -1.33 0.00 0.00 177.39 177.08 1sqp n ALA 72 N -1.67 2.47 0.31 -1.18 0.00 0.15 -4.65 120.51 115.95 1sqp n ALA 72 Ca 0.06 -0.72 0.18 0.00 0.00 0.00 0.00 53.44 52.96 1sqp n ALA 72 Cb 0.39 -1.00 0.94 0.00 0.00 0.00 0.00 19.45 19.79 1sqp n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sqp h SER 73 N 3.12 0.00 -0.15 0.00 4.64 -1.67 -1.12 113.55 118.37 1sqp h SER 73 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1sqp h SER 73 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1sqp h SER 73 CO 0.00 0.00 -0.01 -1.54 -0.87 0.00 0.00 176.83 174.41 1sqp n SER 74 N -3.08 3.13 -4.49 4.97 3.41 -1.26 -4.84 113.62 111.46 1sqp n SER 74 Ca -0.02 -3.10 -0.29 0.00 -0.26 0.00 0.00 58.87 55.20 1sqp n SER 74 Cb 0.29 -0.50 0.17 0.00 -0.26 0.00 0.00 64.21 63.91 1sqp n SER 74 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqp s LEU 75 N -2.88 1.67 0.17 1.04 1.43 -0.43 -4.35 118.68 115.33 1sqp s LEU 75 Ca 0.38 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 1sqp s LEU 75 Cb 0.32 -3.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 1sqp s LEU 75 CO 0.06 -3.07 1.26 -0.89 0.23 0.00 0.00 176.35 173.94 1sqp s THR 76 N -3.20 3.45 0.32 5.49 2.01 -1.26 -4.49 115.64 117.95 1sqp s THR 76 Ca 0.67 1.17 0.09 0.00 0.31 0.00 0.00 61.69 63.92 1sqp s THR 76 Cb -0.14 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1sqp s THR 76 CO 0.55 0.16 0.04 0.42 -0.69 0.00 0.00 174.62 175.10 1sqp s THR 77 N 0.25 3.00 -0.16 -0.82 -4.23 0.35 -1.92 115.64 112.12 1sqp s THR 77 Ca 0.56 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 1sqp s THR 77 Cb -0.34 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1sqp s THR 77 CO 0.36 -0.25 1.45 -0.54 -0.54 0.00 0.00 174.62 175.10 1sqp s LYS 78 N -3.74 4.09 0.00 3.99 1.02 -1.00 -2.69 119.74 121.41 1sqp s LYS 78 Ca 0.35 1.76 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1sqp s LYS 78 Cb -0.03 -3.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1sqp s LYS 78 CO 0.20 -0.92 0.00 0.41 -0.92 0.00 0.00 175.35 174.12 1sqp n GLY 79 N 4.07 2.08 3.53 -3.33 0.00 -1.26 -4.91 105.19 105.36 1sqp n GLY 79 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1sqp n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp s ALA 80 N -2.57 -1.98 0.77 4.61 0.00 -1.10 -5.10 121.76 116.40 1sqp s ALA 80 Ca 0.00 2.18 -0.11 0.00 0.00 0.00 0.00 51.96 54.03 1sqp s ALA 80 Cb 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 23.12 21.39 1sqp s ALA 80 CO 0.00 -0.97 1.08 -1.54 0.00 0.00 0.00 175.76 174.33 1sqp s SER 81 N 2.86 4.63 0.16 0.00 1.04 -1.26 -0.50 113.70 120.64 1sqp s SER 81 Ca -0.02 1.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.82 1sqp s SER 81 Cb -0.12 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1sqp s SER 81 CO -0.19 -1.93 1.57 -1.28 0.98 0.00 0.00 173.24 172.40 1sqp h SER 82 N -1.06 -1.45 -0.99 7.02 0.87 -1.79 -0.66 113.55 115.50 1sqp h SER 82 Ca -0.45 0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.44 1sqp h SER 82 Cb 1.24 0.65 -0.08 0.00 -0.44 0.00 0.00 62.40 63.77 1sqp h SER 82 CO 0.54 -0.35 0.63 0.15 -0.53 0.00 0.00 176.83 177.28 1sqp h PHE 83 N -0.27 1.15 -0.33 2.24 3.57 -1.93 -1.71 116.94 119.66 1sqp h PHE 83 Ca 0.16 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1sqp h PHE 83 Cb 0.57 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1sqp h PHE 83 CO -0.66 0.51 0.06 -0.22 -2.23 0.00 0.00 178.31 175.77 1sqp h LYS 84 N 1.05 0.54 -0.41 1.11 3.64 -1.66 -0.74 116.57 120.09 1sqp h LYS 84 Ca 0.47 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1sqp h LYS 84 Cb 0.37 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1sqp h LYS 84 CO -0.22 0.62 0.14 0.82 -2.27 0.00 0.00 179.45 178.54 1sqp h ILE 85 N 0.37 0.87 0.45 2.00 2.04 -0.26 0.82 117.51 123.81 1sqp h ILE 85 Ca 0.10 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1sqp h ILE 85 Cb 0.34 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1sqp h ILE 85 CO 0.01 0.06 -0.22 0.74 0.00 0.00 0.00 178.15 178.73 1sqp h THR 86 N 0.31 0.00 -0.23 -0.27 2.02 -1.42 -1.90 112.91 111.43 1sqp h THR 86 Ca 0.19 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1sqp h THR 86 Cb 0.18 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1sqp h THR 86 CO -0.20 0.00 0.03 0.03 0.37 0.00 0.00 175.52 175.75 1sqp h ARG 87 N -0.75 0.32 0.11 6.66 2.47 -1.09 0.11 114.38 122.21 1sqp h ARG 87 Ca -0.06 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1sqp h ARG 87 Cb 0.46 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1sqp h ARG 87 CO 0.10 0.33 -0.05 0.78 0.56 0.00 0.00 179.97 181.69 1sqp h GLY 88 N 0.58 -0.15 0.98 0.04 0.00 0.65 0.56 103.07 105.72 1sqp h GLY 88 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1sqp h GLY 88 CO 0.00 -0.06 0.16 -2.22 0.00 0.00 0.00 176.54 174.43 1sqp h ILE 89 N -0.52 1.23 -0.39 2.60 2.04 -0.99 -3.19 117.51 118.29 1sqp h ILE 89 Ca -0.01 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1sqp h ILE 89 Cb 0.42 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1sqp h ILE 89 CO 0.02 0.29 -0.03 -0.33 0.00 0.00 0.00 178.15 178.11 1sqp h GLU 90 N 0.73 0.65 -0.80 2.37 5.08 -0.80 -0.65 114.58 121.16 1sqp h GLU 90 Ca 0.17 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1sqp h GLU 90 Cb 0.28 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1sqp h GLU 90 CO -0.00 0.69 0.52 0.00 -1.00 0.00 0.00 179.01 179.21 1sqp h ALA 91 N 1.36 1.72 -0.02 3.43 0.00 -0.86 -1.09 119.26 123.81 1sqp h ALA 91 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sqp h ALA 91 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sqp h ALA 91 CO 0.02 0.13 -0.41 1.33 0.00 0.00 0.00 179.25 180.31 1sqp n VAL 92 N -4.50 0.00 -1.43 0.00 0.24 -0.99 -4.98 118.33 106.67 1sqp n VAL 92 Ca 0.13 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.12 1sqp n VAL 92 Cb 0.29 1.17 -0.01 0.00 -1.47 0.00 0.00 33.84 33.82 1sqp n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sqp n GLY 93 N 1.40 0.57 3.09 7.63 0.00 -0.30 -4.73 105.19 112.86 1sqp n GLY 93 Ca 0.10 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1sqp n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 94 N -1.98 0.11 3.30 -0.02 0.00 -0.89 -4.91 105.19 100.80 1sqp n GLY 94 Ca -0.05 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 1sqp n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqp s LYS 95 N -4.76 1.19 -0.18 1.61 1.02 -0.94 -4.58 119.74 113.10 1sqp s LYS 95 Ca 0.55 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1sqp s LYS 95 Cb -0.03 -1.05 0.05 0.00 -0.52 0.00 0.00 37.83 36.28 1sqp s LYS 95 CO 0.37 0.19 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.79 1sqp s LEU 96 N -2.86 1.64 0.10 3.17 2.96 -1.26 -2.10 118.68 120.34 1sqp s LEU 96 Ca 0.16 -0.75 0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1sqp s LEU 96 Cb -0.03 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 1sqp s LEU 96 CO 0.05 -0.22 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.19 1sqp s SER 97 N 1.65 3.54 -0.16 3.68 0.01 0.82 -4.99 113.70 118.26 1sqp s SER 97 Ca -0.00 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 1sqp s SER 97 Cb -0.16 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.73 1sqp s SER 97 CO -0.07 0.20 -0.04 0.54 0.41 0.00 0.00 173.24 174.27 1sqp s VAL 98 N -1.04 0.98 -0.34 3.43 0.11 -1.26 -0.48 120.40 121.80 1sqp s VAL 98 Ca 0.15 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1sqp s VAL 98 Cb -0.10 -1.18 0.06 0.00 -1.53 0.00 0.00 36.38 33.63 1sqp s VAL 98 CO 0.07 0.13 0.09 0.42 -3.33 0.00 0.00 175.10 172.47 1sqp s THR 99 N 1.69 3.43 0.25 5.04 -4.23 -0.31 -4.95 115.64 116.56 1sqp s THR 99 Ca 0.01 -1.38 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1sqp s THR 99 Cb -0.15 -3.02 -0.08 0.00 1.34 0.00 0.00 72.50 70.58 1sqp s THR 99 CO -0.08 -0.25 0.71 -0.44 -0.54 0.00 0.00 174.62 174.03 1sqp s SER 100 N 1.45 6.94 0.38 3.99 0.01 -1.26 -1.23 113.70 123.98 1sqp s SER 100 Ca -0.01 1.34 0.05 0.00 1.31 0.00 0.00 55.95 58.63 1sqp s SER 100 Cb -0.20 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1sqp s SER 100 CO 0.00 -0.04 0.18 0.42 0.41 0.00 0.00 173.24 174.21 1sqp s THR 101 N -1.68 0.37 0.53 1.44 -4.23 0.89 -4.97 115.64 107.99 1sqp s THR 101 Ca 0.46 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.40 1sqp s THR 101 Cb -0.14 -2.39 0.44 0.00 1.34 0.00 0.00 72.50 71.74 1sqp s THR 101 CO 0.20 0.00 2.28 0.03 -0.54 0.00 0.00 174.62 176.59 1sqp h ARG 102 N 1.91 0.00 0.00 3.99 3.08 -1.95 -3.10 114.38 118.31 1sqp h ARG 102 Ca -0.32 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.54 1sqp h ARG 102 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1sqp h ARG 102 CO 0.49 0.00 -1.74 0.39 -1.07 0.00 0.00 179.97 178.05 1sqp n GLU 103 N -3.08 0.32 -4.42 0.04 1.02 -1.26 -1.22 120.64 112.04 1sqp n GLU 103 Ca -0.02 0.08 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 1sqp n GLU 103 Cb 0.13 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 1sqp n GLU 103 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sqp s ASN 104 N -5.35 3.49 0.04 1.62 0.02 -1.23 -0.98 114.94 112.54 1sqp s ASN 104 Ca -0.18 -0.86 0.04 0.00 -1.02 0.00 0.00 52.86 50.85 1sqp s ASN 104 Cb 0.05 -0.28 -0.04 0.00 0.02 0.00 0.00 41.25 41.00 1sqp s ASN 104 CO 0.29 0.12 -0.06 -0.04 0.02 0.00 0.00 177.10 177.43 1sqp s MET 105 N -2.73 2.46 -0.17 -0.60 -1.94 0.84 -0.07 119.30 117.09 1sqp s MET 105 Ca 0.22 -0.81 -0.05 0.00 -1.71 0.00 0.00 55.69 53.34 1sqp s MET 105 Cb -0.08 -2.47 0.06 0.00 2.01 0.00 0.00 34.83 34.35 1sqp s MET 105 CO 0.10 0.57 0.08 0.00 -0.01 0.00 0.00 175.02 175.77 1sqp s ALA 106 N -1.11 0.48 -0.34 3.03 0.00 -0.36 0.83 121.76 124.29 1sqp s ALA 106 Ca 0.20 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 1sqp s ALA 106 Cb -0.11 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1sqp s ALA 106 CO 0.11 -1.13 0.41 0.71 0.00 0.00 0.00 175.76 175.86 1sqp s TYR 107 N 2.11 3.20 0.04 0.00 1.51 0.41 -1.16 117.35 123.46 1sqp s TYR 107 Ca 0.02 0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 1sqp s TYR 107 Cb -0.16 -2.74 -0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1sqp s TYR 107 CO -0.09 -0.44 -0.16 0.99 -1.11 0.00 0.00 175.55 174.75 1sqp s THR 108 N 2.15 2.96 -0.04 -0.71 2.01 0.36 -0.57 115.64 121.81 1sqp s THR 108 Ca 0.14 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1sqp s THR 108 Cb -0.16 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1sqp s THR 108 CO 0.12 0.32 0.06 0.54 -0.69 0.00 0.00 174.62 174.97 1sqp s VAL 109 N -0.97 -0.09 0.09 3.82 0.11 -0.07 -0.12 120.40 123.17 1sqp s VAL 109 Ca 0.16 0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.60 1sqp s VAL 109 Cb -0.11 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1sqp s VAL 109 CO 0.06 0.12 -0.25 -0.70 -3.33 0.00 0.00 175.10 171.01 1sqp s GLU 110 N 1.57 1.46 -0.00 1.54 2.12 -0.89 -1.52 118.70 122.97 1sqp s GLU 110 Ca -0.03 -1.20 -0.29 0.00 0.36 0.00 0.00 54.97 53.80 1sqp s GLU 110 Cb -0.12 -1.79 0.11 0.00 0.26 0.00 0.00 34.13 32.59 1sqp s GLU 110 CO -0.03 0.44 1.27 0.00 -0.54 0.00 0.00 175.26 176.39 1sqp s LEU 112 N -3.19 3.95 0.21 0.00 1.43 -1.26 0.02 118.68 119.84 1sqp s LEU 112 Ca 0.18 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.50 1sqp s LEU 112 Cb 0.03 -4.30 0.27 0.00 0.03 0.00 0.00 46.19 42.22 1sqp s LEU 112 CO -0.03 -1.05 1.31 -1.14 0.23 0.00 0.00 176.35 175.68 1sqp n ARG 113 N -0.70 -0.15 0.01 1.70 0.63 -1.10 -1.51 116.66 115.55 1sqp n ARG 113 Ca 0.08 1.31 0.02 0.00 -0.92 0.00 0.00 57.85 58.34 1sqp n ARG 113 Cb 0.48 -1.94 0.10 0.00 0.45 0.00 0.00 32.46 31.54 1sqp n ARG 113 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1sqp n ASP 114 N -5.29 0.04 -0.21 6.15 8.00 -1.26 -2.59 116.55 121.39 1sqp n ASP 114 Ca 0.10 0.52 0.02 0.00 0.71 0.00 0.00 54.79 56.14 1sqp n ASP 114 Cb 0.37 -0.53 0.04 0.00 -0.02 0.00 0.00 41.12 40.98 1sqp n ASP 114 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sqp n ASP 115 N -1.56 1.91 -0.35 -2.24 8.00 -0.57 -4.71 116.55 117.04 1sqp n ASP 115 Ca 0.01 -1.64 0.23 0.00 0.71 0.00 0.00 54.79 54.10 1sqp n ASP 115 Cb 0.03 -0.05 0.49 0.00 -0.02 0.00 0.00 41.12 41.57 1sqp n ASP 115 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1sqp h VAL 116 N 0.78 0.44 0.26 2.53 -1.51 -1.55 -2.93 116.25 114.26 1sqp h VAL 116 Ca 0.00 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.32 1sqp h VAL 116 Cb 0.41 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1sqp h VAL 116 CO 0.00 0.07 -0.13 0.44 -1.23 0.00 0.00 177.57 176.73 1sqp h ASP 117 N 0.40 -0.30 -0.76 4.19 3.32 -1.87 -0.88 116.42 120.53 1sqp h ASP 117 Ca 0.66 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.58 1sqp h ASP 117 Cb 1.59 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 41.18 1sqp h ASP 117 CO -0.42 -0.09 0.29 0.40 -1.72 0.00 0.00 179.24 177.71 1sqp h ILE 118 N -0.49 1.26 -0.20 0.35 2.04 -1.89 -2.20 117.51 116.38 1sqp h ILE 118 Ca -0.04 -0.82 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 1sqp h ILE 118 Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1sqp h ILE 118 CO 0.06 0.33 -0.47 -0.07 0.00 0.00 0.00 178.15 178.00 1sqp h LEU 119 N 1.11 0.55 -0.09 1.44 4.07 -1.53 -1.17 115.31 119.69 1sqp h LEU 119 Ca 0.25 -0.27 0.01 0.00 0.08 0.00 0.00 57.88 57.96 1sqp h LEU 119 Cb 0.22 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1sqp h LEU 119 CO -0.02 0.94 0.00 -0.03 -1.08 0.00 0.00 178.44 178.25 1sqp h MET 120 N 0.41 0.04 -0.55 1.13 4.05 -0.92 0.12 114.93 119.20 1sqp h MET 120 Ca 0.02 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1sqp h MET 120 Cb 0.98 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.73 1sqp h MET 120 CO 0.09 0.02 0.32 1.49 0.23 0.00 0.00 176.91 179.06 1sqp h GLU 121 N 0.04 0.61 -0.38 0.39 4.81 -1.07 -0.03 114.58 118.96 1sqp h GLU 121 Ca 0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1sqp h GLU 121 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1sqp h GLU 121 CO -0.07 0.40 0.20 0.74 -0.73 0.00 0.00 179.01 179.56 1sqp h PHE 122 N 0.63 0.52 -0.37 0.92 0.04 -1.05 -1.88 116.94 115.75 1sqp h PHE 122 Ca 0.23 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.06 1sqp h PHE 122 Cb 0.06 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 37.97 1sqp h PHE 122 CO -0.07 0.42 -0.12 1.25 -0.60 0.00 0.00 178.31 179.18 1sqp h LEU 123 N 0.48 -0.44 -0.90 1.54 6.46 -0.11 -1.29 115.31 121.05 1sqp h LEU 123 Ca 0.13 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1sqp h LEU 123 Cb 0.08 0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1sqp h LEU 123 CO -0.02 -0.16 0.10 -0.07 -0.62 0.00 0.00 178.44 177.67 1sqp h LEU 124 N -0.04 0.86 0.00 2.25 3.38 -0.65 -2.20 115.31 118.91 1sqp h LEU 124 Ca 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sqp h LEU 124 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sqp h LEU 124 CO -0.40 0.87 -0.00 0.78 0.09 0.00 0.00 178.44 179.77 1sqp h ASN 125 N 0.87 -0.00 -0.96 -0.43 -0.26 -0.70 0.16 115.58 114.25 1sqp h ASN 125 Ca 0.18 -0.24 0.11 0.00 -0.56 0.00 0.00 56.30 55.78 1sqp h ASN 125 Cb 0.37 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.56 1sqp h ASN 125 CO 0.01 0.24 0.61 0.58 -1.06 0.00 0.00 177.43 177.81 1sqp h VAL 126 N -0.25 0.95 0.00 2.81 2.07 -0.76 0.15 116.25 121.23 1sqp h VAL 126 Ca -0.00 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 66.92 1sqp h VAL 126 Cb 0.25 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1sqp h VAL 126 CO 0.00 0.18 -1.90 0.35 0.02 0.00 0.00 177.57 176.22 1sqp n THR 127 N -4.57 1.33 -0.00 2.57 -2.24 -0.87 -4.17 114.28 106.33 1sqp n THR 127 Ca 0.17 -0.77 -0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1sqp n THR 127 Cb 0.33 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1sqp n THR 127 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sqp n THR 128 N -2.85 0.04 -1.92 4.28 -2.24 0.54 -4.82 114.28 107.31 1sqp n THR 128 Ca -0.20 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1sqp n THR 128 Cb 1.01 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1sqp n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqp n ALA 129 N -1.89 4.87 -2.16 6.98 0.00 0.50 -5.02 120.51 123.80 1sqp n ALA 129 Ca -0.01 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.32 1sqp n ALA 129 Cb 0.38 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1sqp n ALA 129 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqp s PRO 130 N -3.55 4.44 0.22 0.00 0.04 -1.01 -2.37 135.00 132.78 1sqp s PRO 130 Ca 0.50 1.89 0.23 0.00 0.04 0.00 0.00 61.00 63.66 1sqp s PRO 130 Cb 0.41 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.76 1sqp s PRO 130 CO 0.02 -0.20 1.14 0.93 0.04 0.00 0.00 177.00 178.94 1sqp h GLU 131 N 5.88 0.00 -6.43 4.56 5.08 -1.73 -3.47 114.58 118.46 1sqp h GLU 131 Ca -0.43 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.52 1sqp h GLU 131 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sqp h GLU 131 CO 0.78 0.00 -0.90 1.19 -1.00 0.00 0.00 179.01 179.09 1sqp n PHE 132 N -2.66 -1.61 -2.29 4.33 3.72 -1.26 -4.88 117.46 112.80 1sqp n PHE 132 Ca 0.01 0.66 -0.41 0.00 -0.05 0.00 0.00 57.45 57.65 1sqp n PHE 132 Cb 0.53 -2.20 -0.03 0.00 -0.94 0.00 0.00 39.48 36.85 1sqp n PHE 132 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1sqp s ARG 133 N -4.42 4.42 0.18 -1.08 0.52 -1.26 -4.85 118.95 112.45 1sqp s ARG 133 Ca 0.00 1.96 -0.17 0.00 -0.52 0.00 0.00 55.73 57.00 1sqp s ARG 133 Cb -0.00 -3.24 0.14 0.00 0.52 0.00 0.00 34.95 32.37 1sqp s ARG 133 CO 0.72 -0.23 1.30 -2.13 0.02 0.00 0.00 175.30 174.98 1sqp n ARG 134 N 2.94 -0.24 0.09 3.54 0.63 -1.26 -0.57 116.66 121.79 1sqp n ARG 134 Ca 0.07 1.28 -0.06 0.00 -0.92 0.00 0.00 57.85 58.22 1sqp n ARG 134 Cb 0.44 -1.90 0.03 0.00 0.45 0.00 0.00 32.46 31.48 1sqp n ARG 134 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 1sqp h TRP 135 N 0.00 0.14 -0.41 -0.14 0.09 -1.98 -0.32 115.95 113.32 1sqp h TRP 135 Ca 0.25 -0.07 -0.14 0.00 0.09 0.00 0.00 58.89 59.02 1sqp h TRP 135 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 29.16 29.68 1sqp h TRP 135 CO -0.76 0.86 -0.29 0.93 0.09 0.00 0.00 178.44 179.27 1sqp h GLU 136 N 0.05 0.92 -0.10 0.12 5.08 -1.69 -1.55 114.58 117.42 1sqp h GLU 136 Ca -0.02 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1sqp h GLU 136 Cb 1.42 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1sqp h GLU 136 CO 0.11 1.10 -0.01 0.28 -1.00 0.00 0.00 179.01 179.49 1sqp h VAL 137 N 0.74 1.27 -0.62 3.13 2.07 -0.66 -2.34 116.25 119.85 1sqp h VAL 137 Ca 0.08 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.86 1sqp h VAL 137 Cb 0.87 1.64 -0.12 0.00 -1.52 0.00 0.00 31.29 32.17 1sqp h VAL 137 CO 0.08 0.24 -0.13 0.00 0.02 0.00 0.00 177.57 177.78 1sqp h ALA 138 N 0.72 0.44 0.00 1.67 0.00 -1.10 -0.13 119.26 120.86 1sqp h ALA 138 Ca 0.03 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1sqp h ALA 138 Cb 0.38 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sqp h ALA 138 CO 0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 179.25 178.74 1sqp h ALA 139 N 1.61 1.10 0.00 0.00 0.00 -1.15 -2.88 119.26 117.95 1sqp h ALA 139 Ca 0.30 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1sqp h ALA 139 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1sqp h ALA 139 CO -0.62 0.12 -1.41 -0.11 0.00 0.00 0.00 179.25 177.23 1sqp n LEU 140 N -3.35 0.67 -0.31 0.00 7.94 -0.17 -4.38 117.00 117.39 1sqp n LEU 140 Ca -0.01 0.27 0.10 0.00 -1.11 0.00 0.00 56.01 55.26 1sqp n LEU 140 Cb 0.28 0.04 0.22 0.00 0.53 0.00 0.00 43.42 44.48 1sqp n LEU 140 CO 0.29 0.01 0.79 1.56 -1.11 0.00 0.00 177.39 178.93 1sqp h GLN 141 N 0.00 0.04 0.00 1.96 1.08 -1.02 -0.26 115.11 116.91 1sqp h GLN 141 Ca -0.10 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1sqp h GLN 141 Cb 1.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1sqp h GLN 141 CO 0.02 0.03 0.00 -1.35 -0.95 0.00 0.00 178.83 176.58 1sqp h PRO 142 N 0.05 0.00 0.00 1.46 0.11 -1.79 -1.01 132.00 130.82 1sqp h PRO 142 Ca 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.62 1sqp h PRO 142 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1sqp h PRO 142 CO -0.84 0.00 -0.01 0.37 -0.21 0.00 0.00 178.00 177.31 1sqp h GLN 143 N 0.00 0.00 -0.59 1.05 5.75 -1.32 -2.12 115.11 117.87 1sqp h GLN 143 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1sqp h GLN 143 Cb 0.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1sqp h GLN 143 CO 0.00 0.01 0.08 -0.07 -2.65 0.00 0.00 178.83 176.20 1sqp h LEU 144 N 0.00 0.96 -0.19 -2.39 3.38 -1.30 0.20 115.31 115.96 1sqp h LEU 144 Ca -0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1sqp h LEU 144 Cb 0.41 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sqp h LEU 144 CO 0.00 0.99 -0.12 -0.09 0.09 0.00 0.00 178.44 179.31 1sqp h ARG 145 N 0.89 0.42 0.72 1.13 2.43 -1.55 0.13 114.38 118.56 1sqp h ARG 145 Ca 0.18 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1sqp h ARG 145 Cb 0.45 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1sqp h ARG 145 CO 0.01 0.73 -0.34 0.82 -1.51 0.00 0.00 179.97 179.68 1sqp h ILE 146 N 0.11 0.25 -0.64 1.20 2.04 -1.42 0.32 117.51 119.37 1sqp h ILE 146 Ca 0.04 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.91 1sqp h ILE 146 Cb 0.62 0.28 -0.12 0.00 -0.74 0.00 0.00 36.82 36.86 1sqp h ILE 146 CO 0.03 0.01 -0.24 -0.78 0.00 0.00 0.00 178.15 177.18 1sqp h ASP 147 N -1.04 -0.85 -0.28 1.72 3.58 -0.54 0.19 116.42 119.19 1sqp h ASP 147 Ca -0.10 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1sqp h ASP 147 Cb 0.76 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1sqp h ASP 147 CO 0.16 -0.26 0.18 0.50 -2.88 0.00 0.00 179.24 176.94 1sqp h LYS 148 N -0.07 0.37 -0.90 0.28 3.64 -0.69 -2.25 116.57 116.95 1sqp h LYS 148 Ca 0.29 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1sqp h LYS 148 Cb 0.52 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1sqp h LYS 148 CO -0.69 0.26 0.60 0.00 -2.27 0.00 0.00 179.45 177.35 1sqp h ALA 149 N 1.09 1.39 -0.30 5.00 0.00 0.25 -0.16 119.26 126.52 1sqp h ALA 149 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1sqp h ALA 149 Cb -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1sqp h ALA 149 CO -0.02 0.55 -0.44 0.28 0.00 0.00 0.00 179.25 179.62 1sqp h VAL 150 N 1.18 1.28 0.32 0.00 2.07 -0.57 -2.84 116.25 117.70 1sqp h VAL 150 Ca 0.34 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1sqp h VAL 150 Cb -0.07 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sqp h VAL 150 CO -0.09 0.53 -0.15 0.00 0.02 0.00 0.00 177.57 177.88 1sqp h ALA 151 N 0.70 -0.43 0.00 1.67 0.00 -1.14 -3.30 119.26 116.76 1sqp h ALA 151 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sqp h ALA 151 Cb 1.04 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sqp h ALA 151 CO 0.10 -0.57 0.05 1.28 0.00 0.00 0.00 179.25 180.11 1sqp n LEU 152 N -5.14 0.00 0.00 0.00 4.32 -0.10 -0.68 117.00 115.41 1sqp n LEU 152 Ca -0.10 0.41 0.08 0.00 -0.02 0.00 0.00 56.01 56.39 1sqp n LEU 152 Cb 0.27 -0.41 0.50 0.00 -1.62 0.00 0.00 43.42 42.15 1sqp n LEU 152 CO 0.30 -0.41 0.73 0.00 -1.22 0.00 0.00 177.39 176.79 1sqp n GLN 153 N -1.41 0.72 -3.64 3.23 10.64 -1.08 -4.30 117.38 121.54 1sqp n GLN 153 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1sqp n GLN 153 Cb 0.05 -1.36 -0.12 0.00 -0.86 0.00 0.00 30.24 27.95 1sqp n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1sqp s ASN 154 N -1.80 5.63 0.56 2.61 0.01 0.14 -4.97 114.94 117.13 1sqp s ASN 154 Ca 0.25 -0.39 0.30 0.00 -0.71 0.00 0.00 52.86 52.31 1sqp s ASN 154 Cb 0.11 -2.03 1.46 0.00 0.41 0.00 0.00 41.25 41.21 1sqp s ASN 154 CO 0.19 -0.16 1.88 -0.65 -1.51 0.00 0.00 177.10 176.85 1sqp h PRO 155 N 8.36 0.00 -0.19 -0.60 0.10 -1.88 -2.28 132.00 135.51 1sqp h PRO 155 Ca -0.33 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.76 1sqp h PRO 155 Cb 1.16 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.25 1sqp h PRO 155 CO 0.60 0.00 0.07 1.96 0.10 0.00 0.00 178.00 180.74 1sqp h GLN 156 N 0.00 0.26 -0.31 1.05 7.50 -1.93 -2.87 115.11 118.82 1sqp h GLN 156 Ca 0.32 -0.03 -0.06 0.00 0.50 0.00 0.00 58.65 59.38 1sqp h GLN 156 Cb 1.48 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.94 1sqp h GLN 156 CO -0.00 0.23 -0.06 0.00 -1.50 0.00 0.00 178.83 177.50 1sqp h ALA 157 N 1.82 0.42 -0.29 3.87 0.00 -1.71 -1.73 119.26 121.64 1sqp h ALA 157 Ca 0.07 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1sqp h ALA 157 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1sqp h ALA 157 CO -0.01 0.23 -0.45 1.25 0.00 0.00 0.00 179.25 180.27 1sqp h HIS 158 N 0.36 0.90 -0.54 0.00 6.17 -1.69 -0.87 115.15 119.48 1sqp h HIS 158 Ca 0.08 -0.28 0.02 0.00 0.71 0.00 0.00 60.37 60.90 1sqp h HIS 158 Cb 0.53 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 30.25 1sqp h HIS 158 CO 0.05 1.05 0.34 0.28 0.71 0.00 0.00 177.93 180.36 1sqp h VAL 159 N 0.59 1.08 0.02 5.26 2.07 -1.47 0.21 116.25 124.01 1sqp h VAL 159 Ca 0.04 -0.23 -0.20 0.00 0.82 0.00 0.00 66.70 67.12 1sqp h VAL 159 Cb 1.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1sqp h VAL 159 CO 0.10 0.12 -0.92 0.40 0.02 0.00 0.00 177.57 177.29 1sqp h ILE 160 N 0.67 1.53 0.28 4.57 2.04 -1.16 0.23 117.51 125.67 1sqp h ILE 160 Ca 0.21 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1sqp h ILE 160 Cb -0.01 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1sqp h ILE 160 CO -0.08 0.80 -0.50 -0.33 0.00 0.00 0.00 178.15 178.04 1sqp h GLU 161 N 0.08 -0.81 -0.83 2.37 5.08 -1.00 -2.29 114.58 117.18 1sqp h GLU 161 Ca -0.05 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1sqp h GLU 161 Cb 1.58 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.97 1sqp h GLU 161 CO 0.14 -0.54 0.55 -0.91 -1.00 0.00 0.00 179.01 177.25 1sqp h ASN 162 N -0.84 0.94 -0.95 1.42 -0.26 -0.45 -0.81 115.58 114.63 1sqp h ASN 162 Ca -0.03 -0.02 0.10 0.00 -0.56 0.00 0.00 56.30 55.79 1sqp h ASN 162 Cb 0.78 -0.23 -0.08 0.00 -1.06 0.00 0.00 38.32 37.73 1sqp h ASN 162 CO -0.18 0.67 0.58 0.25 -1.06 0.00 0.00 177.43 177.69 1sqp h LEU 163 N 1.10 0.86 -0.00 1.61 6.46 -0.50 -0.95 115.31 123.89 1sqp h LEU 163 Ca 0.31 0.04 -0.09 0.00 -0.12 0.00 0.00 57.88 58.02 1sqp h LEU 163 Cb -0.09 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 39.71 1sqp h LEU 163 CO -0.08 0.48 -0.37 0.45 -0.62 0.00 0.00 178.44 178.31 1sqp h HIS 164 N 0.96 0.38 -0.78 1.25 3.86 -0.81 -0.61 115.15 119.40 1sqp h HIS 164 Ca 0.46 -0.20 0.19 0.00 -1.16 0.00 0.00 60.37 59.65 1sqp h HIS 164 Cb 0.40 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1sqp h HIS 164 CO -0.02 1.01 0.53 0.00 0.86 0.00 0.00 177.93 180.31 1sqp h ALA 165 N 0.28 2.36 0.13 2.45 0.00 -0.75 -1.92 119.26 121.82 1sqp h ALA 165 Ca -0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1sqp h ALA 165 Cb 1.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sqp h ALA 165 CO 0.07 -0.59 -1.68 0.00 0.00 0.00 0.00 179.25 177.05 1sqp h ALA 166 N 1.64 0.30 0.06 0.00 0.00 -1.14 -3.38 119.26 116.74 1sqp h ALA 166 Ca 0.39 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sqp h ALA 166 Cb 1.15 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1sqp h ALA 166 CO -0.09 1.16 -0.03 0.00 0.00 0.00 0.00 179.25 180.29 1sqp h ALA 167 N 0.35 -0.08 -3.58 0.00 0.00 -0.65 -3.00 119.26 112.30 1sqp h ALA 167 Ca -0.31 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 53.82 1sqp h ALA 167 Cb 2.05 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.70 1sqp h ALA 167 CO 0.15 -0.45 -0.68 0.71 0.00 0.00 0.00 179.25 178.98 1sqp s TYR 168 N -5.41 2.96 -2.00 0.00 2.02 -0.76 -0.22 117.35 113.93 1sqp s TYR 168 Ca -0.14 0.02 0.09 0.00 -0.37 0.00 0.00 57.07 56.67 1sqp s TYR 168 Cb 0.04 -1.68 0.26 0.00 -0.40 0.00 0.00 41.96 40.18 1sqp s TYR 168 CO 0.65 0.38 1.21 2.89 -1.57 0.00 0.00 175.55 179.11 1sqp n ARG 169 N 1.87 1.65 0.00 -0.62 1.85 -0.91 -4.46 116.66 116.04 1sqp n ARG 169 Ca -0.17 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.67 1sqp n ARG 169 Cb 0.53 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 1sqp n ARG 169 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1sqp n ASN 170 N 0.32 0.00 -0.13 2.89 5.15 -1.26 -4.98 115.26 117.25 1sqp n ASN 170 Ca 0.10 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.87 1sqp n ASN 170 Cb 0.24 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.38 1sqp n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sqp n ALA 171 N -3.00 1.42 0.68 5.20 0.00 -1.26 -3.95 120.51 119.59 1sqp n ALA 171 Ca 0.00 -1.07 0.10 0.00 0.00 0.00 0.00 53.44 52.48 1sqp n ALA 171 Cb 0.00 -0.02 0.45 0.00 0.00 0.00 0.00 19.45 19.87 1sqp n ALA 171 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sqp n LEU 172 N -3.46 0.13 0.21 0.00 4.77 -1.26 -2.48 117.00 114.91 1sqp n LEU 172 Ca -0.46 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1sqp n LEU 172 Cb 0.95 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 42.00 1sqp n LEU 172 CO 0.20 -0.18 0.85 0.00 -1.33 0.00 0.00 177.39 176.92 1sqp h ALA 173 N 2.66 1.61 -2.89 -1.18 0.00 -1.71 -3.42 119.26 114.32 1sqp h ALA 173 Ca 0.00 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.16 1sqp h ALA 173 Cb 0.39 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.23 1sqp h ALA 173 CO 0.00 0.30 0.75 -0.80 0.00 0.00 0.00 179.25 179.50 1sqp s ASN 174 N -6.98 6.49 0.25 0.00 0.02 -1.03 -3.45 114.94 110.24 1sqp s ASN 174 Ca -0.04 2.91 -0.06 0.00 -1.02 0.00 0.00 52.86 54.65 1sqp s ASN 174 Cb 0.15 -2.66 -0.06 0.00 0.02 0.00 0.00 41.25 38.71 1sqp s ASN 174 CO 0.71 -0.77 0.53 -0.55 0.02 0.00 0.00 177.10 177.03 1sqp s SER 175 N -0.12 6.51 0.00 -1.22 0.15 -1.26 -4.83 113.70 112.93 1sqp s SER 175 Ca 0.53 0.76 0.16 0.00 0.70 0.00 0.00 55.95 58.11 1sqp s SER 175 Cb -0.44 -2.16 0.73 0.00 -1.71 0.00 0.00 66.02 62.43 1sqp s SER 175 CO 0.57 -0.12 1.52 0.18 1.20 0.00 0.00 173.24 176.59 1sqp n LEU 176 N -0.53 0.00 -4.64 3.45 4.32 -1.26 -4.56 117.00 113.78 1sqp n LEU 176 Ca -0.01 0.46 -0.30 0.00 -0.02 0.00 0.00 56.01 56.14 1sqp n LEU 176 Cb 0.53 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.79 1sqp n LEU 176 CO 0.47 -0.20 -0.37 -0.31 -1.22 0.00 0.00 177.39 175.76 1sqp s TYR 177 N -2.92 2.89 -0.11 -1.77 2.02 -1.26 -4.64 117.35 111.56 1sqp s TYR 177 Ca 0.09 -0.08 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 1sqp s TYR 177 Cb 0.11 -1.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 1sqp s TYR 177 CO 0.29 0.46 1.10 0.00 -1.57 0.00 0.00 175.55 175.83 1sqp n PRO 179 N 5.42 1.53 -0.31 0.00 -0.04 -1.26 -4.90 135.00 135.44 1sqp n PRO 179 Ca 0.10 0.54 0.15 0.00 -0.04 0.00 0.00 63.50 64.26 1sqp n PRO 179 Cb 0.47 -2.06 0.34 0.00 -0.04 0.00 0.00 33.50 32.21 1sqp n PRO 179 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1sqp h ASP 180 N 3.25 0.33 0.28 3.54 3.32 -1.99 -0.40 116.42 124.76 1sqp h ASP 180 Ca -0.43 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1sqp h ASP 180 Cb 1.32 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1sqp h ASP 180 CO 0.69 -0.04 0.00 0.10 -1.72 0.00 0.00 179.24 178.27 1sqp h TYR 181 N 0.37 0.00 0.00 4.55 -0.00 -2.02 -2.34 116.97 117.54 1sqp h TYR 181 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.33 1sqp h TYR 181 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 1sqp h TYR 181 CO -0.13 0.00 -0.74 0.00 -0.00 0.00 0.00 178.16 177.29 1sqp h ARG 182 N 0.00 0.00 -6.25 0.10 2.47 -1.41 -3.45 114.38 105.84 1sqp h ARG 182 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1sqp h ARG 182 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1sqp h ARG 182 CO 0.00 0.00 1.17 0.42 0.56 0.00 0.00 179.97 182.12 1sqp s ILE 183 N -3.18 3.50 0.00 2.04 1.01 -0.88 -0.02 121.20 123.67 1sqp s ILE 183 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1sqp s ILE 183 Cb 0.13 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1sqp s ILE 183 CO 0.74 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1sqp n GLY 184 N 4.58 0.77 0.00 6.18 0.00 -1.26 -4.90 105.19 110.56 1sqp n GLY 184 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1sqp n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqp n LYS 185 N -2.17 2.20 -2.28 1.61 5.02 0.98 -4.97 118.16 118.55 1sqp n LYS 185 Ca 0.00 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 1sqp n LYS 185 Cb 0.00 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1sqp n LYS 185 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sqp s VAL 186 N -2.38 3.98 0.24 -0.18 1.01 -1.16 -4.99 120.40 116.90 1sqp s VAL 186 Ca 0.03 1.24 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1sqp s VAL 186 Cb 0.10 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1sqp s VAL 186 CO 0.54 -0.08 0.58 0.42 0.00 0.00 0.00 175.10 176.56 1sqp s THR 187 N 3.32 4.88 0.42 3.92 -4.23 -1.26 -4.98 115.64 117.72 1sqp s THR 187 Ca 0.62 0.59 0.24 0.00 -1.18 0.00 0.00 61.69 61.96 1sqp s THR 187 Cb -0.27 -3.63 0.44 0.00 1.34 0.00 0.00 72.50 70.38 1sqp s THR 187 CO 0.22 -0.05 1.71 1.55 -0.54 0.00 0.00 174.62 177.50 1sqp h PRO 188 N 2.61 0.23 -0.42 3.99 0.13 -1.93 -2.05 132.00 134.57 1sqp h PRO 188 Ca -0.47 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1sqp h PRO 188 Cb 1.17 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1sqp h PRO 188 CO 0.68 0.16 -0.31 -0.24 -0.23 0.00 0.00 178.00 178.06 1sqp h VAL 189 N 0.24 1.27 -0.65 1.56 3.04 -1.93 -2.76 116.25 117.02 1sqp h VAL 189 Ca 0.69 -1.48 0.13 0.00 -1.01 0.00 0.00 66.70 65.03 1sqp h VAL 189 Cb 2.00 1.27 -0.04 0.00 -2.01 0.00 0.00 31.29 32.52 1sqp h VAL 189 CO -0.33 0.50 0.44 -0.33 -1.01 0.00 0.00 177.57 176.84 1sqp h GLU 190 N 0.79 0.31 0.15 4.17 5.08 -1.76 0.23 114.58 123.55 1sqp h GLU 190 Ca 0.08 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.16 1sqp h GLU 190 Cb 0.89 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1sqp h GLU 190 CO 0.08 0.20 -1.27 -0.07 -1.00 0.00 0.00 179.01 176.95 1sqp h LEU 191 N 0.32 0.50 -0.67 1.33 3.38 -1.48 -1.07 115.31 117.62 1sqp h LEU 191 Ca 0.31 -0.90 0.11 0.00 0.09 0.00 0.00 57.88 57.49 1sqp h LEU 191 Cb 0.78 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 1sqp h LEU 191 CO -0.08 1.58 0.27 0.45 0.09 0.00 0.00 178.44 180.75 1sqp h HIS 192 N -0.22 0.47 -0.71 1.13 3.86 -1.19 -1.11 115.15 117.38 1sqp h HIS 192 Ca -0.25 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.92 1sqp h HIS 192 Cb 1.82 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 30.15 1sqp h HIS 192 CO 0.15 0.11 0.16 -0.44 0.86 0.00 0.00 177.93 178.77 1sqp h ASP 193 N 0.45 1.08 -0.50 2.45 3.32 -0.55 0.17 116.42 122.85 1sqp h ASP 193 Ca 0.35 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1sqp h ASP 193 Cb 0.45 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1sqp h ASP 193 CO -0.33 1.04 -0.12 0.22 -1.72 0.00 0.00 179.24 178.33 1sqp h TYR 194 N 1.08 1.11 -0.17 4.55 3.20 -0.92 -2.22 116.97 123.59 1sqp h TYR 194 Ca 0.22 -0.23 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 1sqp h TYR 194 Cb 0.39 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1sqp h TYR 194 CO 0.03 1.03 -0.42 0.28 -1.64 0.00 0.00 178.16 177.44 1sqp h VAL 195 N 0.88 1.34 -0.01 1.81 2.07 -0.86 -1.48 116.25 119.99 1sqp h VAL 195 Ca 0.14 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 1sqp h VAL 195 Cb 0.68 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1sqp h VAL 195 CO 0.05 0.51 -0.43 1.56 0.02 0.00 0.00 177.57 179.28 1sqp h GLN 196 N 0.25 0.03 -0.02 1.57 4.20 -0.72 0.18 115.11 120.59 1sqp h GLN 196 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1sqp h GLN 196 Cb 1.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1sqp h GLN 196 CO 0.09 0.46 -0.23 0.27 -0.67 0.00 0.00 178.83 178.74 1sqp n ASN 197 N -4.02 1.92 -0.01 1.46 2.04 -0.86 -4.24 115.26 111.55 1sqp n ASN 197 Ca -0.02 -1.46 -0.01 0.00 -0.44 0.00 0.00 54.58 52.65 1sqp n ASN 197 Cb 0.46 0.32 -0.02 0.00 -2.53 0.00 0.00 39.78 38.01 1sqp n ASN 197 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1sqp n HIS 198 N 0.24 0.00 -2.03 -2.53 8.25 -0.56 -2.24 115.22 116.35 1sqp n HIS 198 Ca 0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.14 1sqp n HIS 198 Cb 0.38 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 1sqp n HIS 198 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqp n PHE 199 N -2.09 2.63 -4.36 4.41 3.01 0.60 -4.70 117.46 116.96 1sqp n PHE 199 Ca -0.04 -2.82 -0.26 0.00 1.01 0.00 0.00 57.45 55.34 1sqp n PHE 199 Cb 0.58 -1.84 -0.10 0.00 -0.01 0.00 0.00 39.48 38.10 1sqp n PHE 199 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1sqp s THR 200 N -1.01 2.82 0.23 4.37 -4.23 -1.26 -4.90 115.64 111.66 1sqp s THR 200 Ca 0.52 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1sqp s THR 200 Cb 0.17 -2.41 0.26 0.00 1.34 0.00 0.00 72.50 71.87 1sqp s THR 200 CO -0.08 -0.18 1.56 0.28 -0.54 0.00 0.00 174.62 175.66 1sqp h SER 201 N 2.81 -1.23 0.62 3.99 0.02 0.11 0.16 113.55 120.02 1sqp h SER 201 Ca -0.45 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1sqp h SER 201 Cb 1.22 0.67 0.00 0.00 0.14 0.00 0.00 62.40 64.43 1sqp h SER 201 CO 0.54 -0.30 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 1sqp n ALA 202 N -3.42 1.72 -1.01 3.77 0.00 -1.23 -1.80 120.51 118.54 1sqp n ALA 202 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1sqp n ALA 202 Cb 0.41 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 18.84 1sqp n ALA 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqp n ARG 203 N -1.73 3.18 -4.12 0.00 1.74 0.54 -4.84 116.66 111.42 1sqp n ARG 203 Ca 0.03 -2.92 -0.13 0.00 -0.77 0.00 0.00 57.85 54.07 1sqp n ARG 203 Cb 0.21 -1.92 -0.11 0.00 -1.02 0.00 0.00 32.46 29.61 1sqp n ARG 203 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqp s MET 204 N -2.85 0.70 -0.06 5.56 -1.94 -0.74 -1.01 119.30 118.96 1sqp s MET 204 Ca 0.45 -1.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1sqp s MET 204 Cb 0.36 -0.33 0.03 0.00 2.01 0.00 0.00 34.83 36.90 1sqp s MET 204 CO 0.10 0.04 0.14 0.00 -0.01 0.00 0.00 175.02 175.28 1sqp s ALA 205 N -2.34 -0.28 -0.37 3.03 0.00 -0.06 -2.81 121.76 118.92 1sqp s ALA 205 Ca 0.01 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1sqp s ALA 205 Cb -0.03 -0.38 0.09 0.00 0.00 0.00 0.00 23.12 22.79 1sqp s ALA 205 CO -0.01 -0.13 0.14 -1.17 0.00 0.00 0.00 175.76 174.58 1sqp s LEU 206 N 0.84 4.83 -0.12 0.00 2.96 0.21 -0.41 118.68 127.00 1sqp s LEU 206 Ca -0.06 -1.81 -0.03 0.00 -0.22 0.00 0.00 54.13 52.00 1sqp s LEU 206 Cb -0.08 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1sqp s LEU 206 CO -0.04 -0.45 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.90 1sqp s ILE 207 N 1.16 4.24 -0.06 6.68 -1.09 0.10 -2.42 121.20 129.80 1sqp s ILE 207 Ca 0.05 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1sqp s ILE 207 Cb -0.22 -2.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1sqp s ILE 207 CO -0.03 0.55 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.34 1sqp s GLY 208 N -0.29 0.57 -0.12 6.18 0.00 0.03 0.03 107.32 113.71 1sqp s GLY 208 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1sqp s GLY 208 CO 0.02 0.52 -0.20 1.08 0.00 0.00 0.00 173.10 174.52 1sqp s LEU 209 N 1.11 2.32 -0.45 0.66 1.02 0.26 -1.80 118.68 121.79 1sqp s LEU 209 Ca -0.08 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.59 1sqp s LEU 209 Cb -0.14 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.58 1sqp s LEU 209 CO -0.01 0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.12 1sqp n GLY 210 N 3.63 0.58 3.41 -3.19 0.00 -0.87 -0.09 105.19 108.66 1sqp n GLY 210 Ca -0.19 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1sqp n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqp s VAL 211 N -2.18 1.52 0.08 1.61 1.01 -1.26 -4.82 120.40 116.36 1sqp s VAL 211 Ca 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 61.98 59.87 1sqp s VAL 211 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1sqp s VAL 211 CO 0.00 -0.29 0.24 -0.94 0.00 0.00 0.00 175.10 174.11 1sqp s SER 212 N -3.42 6.38 0.16 3.32 1.04 -1.26 -4.15 113.70 115.77 1sqp s SER 212 Ca 0.30 0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 1sqp s SER 212 Cb 0.04 -1.98 0.05 0.00 0.10 0.00 0.00 66.02 64.24 1sqp s SER 212 CO 0.11 0.14 1.76 -0.74 0.98 0.00 0.00 173.24 175.50 1sqp h HIS 213 N 2.97 0.74 -0.86 5.02 2.76 -1.97 -2.60 115.15 121.21 1sqp h HIS 213 Ca -0.45 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 57.80 1sqp h HIS 213 Cb 1.16 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 1sqp h HIS 213 CO 0.60 0.56 0.56 -1.35 -1.30 0.00 0.00 177.93 177.00 1sqp h PRO 214 N 0.71 0.78 -0.07 5.26 0.11 -1.98 0.74 132.00 137.55 1sqp h PRO 214 Ca 0.18 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1sqp h PRO 214 Cb 0.07 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1sqp h PRO 214 CO -0.03 0.51 -0.19 0.28 -0.21 0.00 0.00 178.00 178.37 1sqp h VAL 215 N 0.80 1.42 -0.01 3.15 2.07 -1.94 0.24 116.25 121.98 1sqp h VAL 215 Ca 0.40 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1sqp h VAL 215 Cb 0.47 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1sqp h VAL 215 CO -0.17 0.43 -0.06 -0.07 0.02 0.00 0.00 177.57 177.73 1sqp h LEU 216 N -0.24 -0.17 -1.19 2.57 3.38 -1.28 -0.33 115.31 118.05 1sqp h LEU 216 Ca -0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1sqp h LEU 216 Cb 0.80 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1sqp h LEU 216 CO 0.04 -0.09 0.57 0.50 0.09 0.00 0.00 178.44 179.55 1sqp h LYS 217 N -0.10 0.93 0.61 1.13 3.64 -0.74 0.18 116.57 122.21 1sqp h LYS 217 Ca 0.03 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1sqp h LYS 217 Cb 0.14 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1sqp h LYS 217 CO -0.07 0.61 -0.29 0.37 -2.27 0.00 0.00 179.45 177.80 1sqp h GLN 218 N 0.95 -0.79 -0.32 1.90 5.75 -0.13 0.57 115.11 123.04 1sqp h GLN 218 Ca 0.38 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.91 1sqp h GLN 218 Cb 0.25 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 1sqp h GLN 218 CO -0.15 -0.48 0.09 -0.39 -2.65 0.00 0.00 178.83 175.25 1sqp h VAL 219 N -0.97 1.14 -0.05 2.39 -1.51 -0.60 0.25 116.25 116.90 1sqp h VAL 219 Ca -0.08 -0.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1sqp h VAL 219 Cb 0.67 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1sqp h VAL 219 CO 0.14 0.18 0.03 0.00 -1.23 0.00 0.00 177.57 176.69 1sqp h ALA 220 N 1.65 0.07 -0.69 5.19 0.00 -0.57 0.49 119.26 125.40 1sqp h ALA 220 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sqp h ALA 220 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1sqp h ALA 220 CO -0.01 -0.39 0.16 1.49 0.00 0.00 0.00 179.25 180.51 1sqp h GLU 221 N -0.01 1.10 0.00 0.00 4.81 0.04 -2.42 114.58 118.10 1sqp h GLU 221 Ca 0.02 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1sqp h GLU 221 Cb 0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1sqp h GLU 221 CO -0.00 0.97 -0.00 1.96 -0.73 0.00 0.00 179.01 181.21 1sqp h GLN 222 N 1.04 -0.00 0.00 1.92 4.20 -0.44 -3.42 115.11 118.41 1sqp h GLN 222 Ca 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1sqp h GLN 222 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1sqp h GLN 222 CO 0.00 0.99 -1.53 1.19 -0.67 0.00 0.00 178.83 178.81 1sqp n PHE 223 N -4.61 0.00 -0.57 2.96 3.72 0.17 -4.63 117.46 114.50 1sqp n PHE 223 Ca -0.10 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.38 1sqp n PHE 223 Cb 0.47 -0.28 0.25 0.00 -0.94 0.00 0.00 39.48 38.99 1sqp n PHE 223 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1sqp n LEU 224 N -1.93 3.80 -4.21 4.37 4.77 -0.91 -4.76 117.00 118.12 1sqp n LEU 224 Ca -0.03 -2.45 -0.43 0.00 -0.03 0.00 0.00 56.01 53.07 1sqp n LEU 224 Cb 0.34 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sqp n LEU 224 CO 0.24 0.74 2.23 -3.20 -1.33 0.00 0.00 177.39 176.07 1sqp n ASN 225 N 0.40 4.54 -4.31 -1.43 5.15 -1.22 -4.35 115.26 114.03 1sqp n ASN 225 Ca 0.19 -2.90 -0.33 0.00 -0.60 0.00 0.00 54.58 50.94 1sqp n ASN 225 Cb 0.71 -1.70 -0.15 0.00 -0.53 0.00 0.00 39.78 38.12 1sqp n ASN 225 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sqp s ILE 226 N 3.56 2.91 -0.20 -1.44 -1.09 -1.26 -5.01 121.20 118.67 1sqp s ILE 226 Ca 0.50 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 58.15 1sqp s ILE 226 Cb 0.08 -2.24 0.08 0.00 -1.58 0.00 0.00 42.46 38.80 1sqp s ILE 226 CO 0.01 0.50 0.44 -0.60 -1.23 0.00 0.00 174.94 174.06 1sqp s ARG 227 N 0.76 0.37 0.00 2.79 3.00 -1.26 0.73 118.95 125.34 1sqp s ARG 227 Ca -0.05 0.99 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1sqp s ARG 227 Cb -0.15 0.24 0.00 0.00 0.00 0.00 0.00 34.95 35.03 1sqp s ARG 227 CO 0.01 -0.22 0.00 0.41 0.00 0.00 0.00 175.30 175.50 1sqp n GLY 228 N 5.00 0.00 0.00 8.12 0.00 -1.26 -5.06 105.19 111.98 1sqp n GLY 228 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sqp n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 229 N 0.00 5.40 3.83 -0.02 0.00 -1.26 -4.76 105.19 108.37 1sqp n GLY 229 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1sqp n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqp s LEU 230 N 0.00 2.69 -0.06 0.99 2.01 -0.95 -5.05 118.68 118.31 1sqp s LEU 230 Ca 0.00 1.24 -0.07 0.00 0.01 0.00 0.00 54.13 55.32 1sqp s LEU 230 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 46.19 42.25 1sqp s LEU 230 CO 0.00 -1.77 -0.14 0.61 1.01 0.00 0.00 176.35 176.05 1sqp n GLY 231 N -2.40 -0.21 3.68 -3.19 0.00 -1.26 -4.99 105.19 96.82 1sqp n GLY 231 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1sqp n GLY 231 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sqp s LEU 232 N -7.00 4.40 0.51 0.99 0.05 -1.26 -4.91 118.68 111.46 1sqp s LEU 232 Ca -0.14 2.68 0.27 0.00 0.05 0.00 0.00 54.13 56.99 1sqp s LEU 232 Cb 0.04 -3.56 1.36 0.00 -2.05 0.00 0.00 46.19 41.98 1sqp s LEU 232 CO 0.19 -0.99 2.03 -1.28 -0.55 0.00 0.00 176.35 175.74 1sqp h SER 233 N 8.90 0.00 -2.62 1.48 0.87 -1.99 -3.33 113.55 116.86 1sqp h SER 233 Ca -0.46 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.43 1sqp h SER 233 Cb 1.22 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.81 1sqp h SER 233 CO 0.94 0.14 -0.13 0.61 -0.53 0.00 0.00 176.83 177.86 1sqp n GLY 234 N -0.51 4.77 0.28 5.77 0.00 -1.26 -4.73 105.19 109.50 1sqp n GLY 234 Ca -0.01 -2.71 0.19 0.00 0.00 0.00 0.00 46.02 43.48 1sqp n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp h ALA 235 N 4.88 1.01 -0.60 4.61 0.00 -1.98 -3.47 119.26 123.70 1sqp h ALA 235 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sqp h ALA 235 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sqp h ALA 235 CO 0.97 -0.01 0.00 1.17 0.00 0.00 0.00 179.25 181.39 1sqp n LYS 236 N -2.78 0.00 -2.46 0.00 4.81 -1.26 -5.00 118.16 111.47 1sqp n LYS 236 Ca -0.02 0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 1sqp n LYS 236 Cb 0.06 -0.16 -0.02 0.00 0.02 0.00 0.00 35.03 34.93 1sqp n LYS 236 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sqp s ALA 237 N 0.00 2.91 -0.70 3.14 0.00 -1.26 -4.77 121.76 121.08 1sqp s ALA 237 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1sqp s ALA 237 Cb 0.00 -4.06 0.08 0.00 0.00 0.00 0.00 23.12 19.14 1sqp s ALA 237 CO 0.00 -2.76 1.00 0.15 0.00 0.00 0.00 175.76 174.15 1sqp s LYS 238 N 5.22 3.18 0.24 0.00 -0.14 -1.26 -4.92 119.74 122.06 1sqp s LYS 238 Ca 0.50 -0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 1sqp s LYS 238 Cb -0.10 -4.34 -0.10 0.00 -1.68 0.00 0.00 37.83 31.61 1sqp s LYS 238 CO 0.26 -1.83 1.45 -0.47 -0.76 0.00 0.00 175.35 174.00 1sqp s TYR 239 N 3.97 3.02 0.17 3.18 5.04 -1.26 -2.13 117.35 129.33 1sqp s TYR 239 Ca 0.24 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 1sqp s TYR 239 Cb -0.15 -3.83 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1sqp s TYR 239 CO 0.07 -2.73 0.00 1.58 -1.34 0.00 0.00 175.55 173.13 1sqp n HIS 240 N 2.45 -1.08 0.00 4.97 -0.00 0.69 -4.91 115.22 117.34 1sqp n HIS 240 Ca 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 1sqp n HIS 240 Cb 0.40 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 1sqp n HIS 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sqp n GLY 241 N 2.59 0.87 0.00 1.57 0.00 0.55 -4.96 105.19 105.80 1sqp n GLY 241 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1sqp n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqp n GLY 242 N 0.22 -0.44 3.03 -0.02 0.00 -1.07 -4.68 105.19 102.23 1sqp n GLY 242 Ca 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1sqp n GLY 242 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqp s GLU 243 N -0.45 0.46 -0.04 1.61 -1.05 -1.26 -2.22 118.70 115.75 1sqp s GLU 243 Ca 0.00 -0.82 0.04 0.00 -0.15 0.00 0.00 54.97 54.04 1sqp s GLU 243 Cb 0.00 0.02 -0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1sqp s GLU 243 CO 0.00 -0.04 -0.15 0.42 0.95 0.00 0.00 175.26 176.44 1sqp s ILE 244 N -2.10 1.27 -0.10 1.83 1.01 0.32 -4.97 121.20 118.46 1sqp s ILE 244 Ca -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1sqp s ILE 244 Cb -0.05 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1sqp s ILE 244 CO -0.03 0.37 -0.16 -0.13 0.00 0.00 0.00 174.94 174.99 1sqp s ARG 245 N 0.13 2.25 -0.33 2.79 0.52 -1.26 -2.33 118.95 120.72 1sqp s ARG 245 Ca -0.05 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1sqp s ARG 245 Cb -0.11 -1.84 0.10 0.00 0.52 0.00 0.00 34.95 33.61 1sqp s ARG 245 CO 0.02 0.01 0.09 -2.00 0.02 0.00 0.00 175.30 173.44 1sqp s GLU 246 N 0.77 1.10 0.24 3.54 2.12 -0.78 -5.03 118.70 120.66 1sqp s GLU 246 Ca -0.11 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 53.42 1sqp s GLU 246 Cb -0.16 -2.57 -0.10 0.00 0.26 0.00 0.00 34.13 31.56 1sqp s GLU 246 CO 0.02 -0.98 1.51 -0.65 -0.54 0.00 0.00 175.26 174.62 1sqp s GLN 247 N 1.21 4.22 0.00 4.30 -1.52 -1.26 -2.07 119.66 124.54 1sqp s GLN 247 Ca 0.11 2.39 0.00 0.00 -1.95 0.00 0.00 55.36 55.91 1sqp s GLN 247 Cb -0.18 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.51 1sqp s GLN 247 CO -0.16 -0.52 0.00 -1.71 -0.25 0.00 0.00 175.29 172.65 1sqp n ASN 248 N 2.65 1.15 0.00 5.90 2.85 -0.00 -4.86 115.26 122.95 1sqp n ASN 248 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1sqp n ASN 248 Cb 0.39 0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1sqp n ASN 248 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sqp n GLY 249 N 1.04 2.11 0.00 8.20 0.00 -1.25 -4.92 105.19 110.36 1sqp n GLY 249 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sqp n GLY 249 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqp n ASP 250 N 3.92 0.00 -0.28 1.61 9.92 -1.26 -4.16 116.55 126.30 1sqp n ASP 250 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1sqp n ASP 250 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1sqp n ASP 250 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1sqp n SER 251 N 0.29 -0.49 -4.24 -2.24 3.41 -1.26 -4.43 113.62 104.66 1sqp n SER 251 Ca 0.00 1.25 -0.13 0.00 -0.26 0.00 0.00 58.87 59.73 1sqp n SER 251 Cb 0.00 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1sqp n SER 251 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1sqp s LEU 252 N -10.09 2.21 -0.10 1.04 0.05 -1.26 -4.56 118.68 105.97 1sqp s LEU 252 Ca -0.10 -1.14 -0.18 0.00 0.05 0.00 0.00 54.13 52.76 1sqp s LEU 252 Cb 0.14 -0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 44.14 1sqp s LEU 252 CO 0.51 -0.53 0.49 -0.69 -0.55 0.00 0.00 176.35 175.57 1sqp s VAL 253 N -3.60 5.15 -0.20 1.48 1.01 0.46 -4.74 120.40 119.95 1sqp s VAL 253 Ca 0.22 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 1sqp s VAL 253 Cb 0.06 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1sqp s VAL 253 CO 0.03 0.35 0.04 -1.00 0.00 0.00 0.00 175.10 174.52 1sqp s HIS 254 N 0.42 3.13 -0.02 5.22 3.76 -0.38 -1.48 115.29 125.94 1sqp s HIS 254 Ca 0.26 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 1sqp s HIS 254 Cb -0.16 -2.11 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1sqp s HIS 254 CO 0.11 -0.10 0.02 0.00 -0.85 0.00 0.00 174.74 173.93 1sqp s ALA 255 N 0.86 0.11 -0.13 -1.40 0.00 -0.31 -0.60 121.76 120.28 1sqp s ALA 255 Ca 0.03 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1sqp s ALA 255 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1sqp s ALA 255 CO 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 175.76 175.51 1sqp s ALA 256 N 0.99 2.40 -0.11 0.00 0.00 0.11 -0.08 121.76 125.08 1sqp s ALA 256 Ca -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1sqp s ALA 256 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1sqp s ALA 256 CO -0.03 0.10 -0.15 -1.17 0.00 0.00 0.00 175.76 174.52 1sqp s LEU 257 N 0.61 2.65 -0.10 0.00 0.20 0.01 -2.20 118.68 119.86 1sqp s LEU 257 Ca -0.10 -0.32 -0.17 0.00 0.69 0.00 0.00 54.13 54.23 1sqp s LEU 257 Cb -0.16 -1.57 0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1sqp s LEU 257 CO 0.03 0.21 0.42 0.54 -0.29 0.00 0.00 176.35 177.25 1sqp s VAL 258 N 0.10 0.02 0.22 1.68 0.11 0.46 -1.09 120.40 121.90 1sqp s VAL 258 Ca -0.07 -0.17 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1sqp s VAL 258 Cb -0.15 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1sqp s VAL 258 CO 0.05 -0.10 -0.16 0.00 -3.33 0.00 0.00 175.10 171.56 1sqp s ALA 259 N -0.51 2.21 0.30 1.54 0.00 -0.13 0.55 121.76 125.73 1sqp s ALA 259 Ca -0.06 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 1sqp s ALA 259 Cb -0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 1sqp s ALA 259 CO 0.03 0.14 1.57 -2.00 0.00 0.00 0.00 175.76 175.50 1sqp s GLU 260 N -3.54 4.12 0.00 0.00 2.12 -1.26 -1.80 118.70 118.34 1sqp s GLU 260 Ca 0.24 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.14 1sqp s GLU 260 Cb -0.02 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1sqp s GLU 260 CO 0.09 -0.61 0.00 -1.13 -0.54 0.00 0.00 175.26 173.07 1sqp n SER 261 N 1.91 0.00 -3.82 -1.70 3.41 -0.52 -4.79 113.62 108.10 1sqp n SER 261 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1sqp n SER 261 Cb 0.38 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 1sqp n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqp s ALA 262 N -2.00 -0.27 0.24 7.33 0.00 -1.26 -4.69 121.76 121.10 1sqp s ALA 262 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1sqp s ALA 262 Cb 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 1sqp s ALA 262 CO 0.00 -0.06 1.37 0.00 0.00 0.00 0.00 175.76 177.06 1sqp s ALA 263 N 0.17 3.57 0.22 0.00 0.00 -1.25 -4.21 121.76 120.26 1sqp s ALA 263 Ca -0.01 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 1sqp s ALA 263 Cb -0.02 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 1sqp s ALA 263 CO -0.00 -0.64 1.16 1.51 0.00 0.00 0.00 175.76 177.78 1sqp n ILE 264 N 2.22 1.27 0.00 0.00 3.06 0.88 -2.98 119.36 123.81 1sqp n ILE 264 Ca 0.05 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.99 1sqp n ILE 264 Cb 0.41 -1.01 0.00 0.00 0.54 0.00 0.00 39.64 39.58 1sqp n ILE 264 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sqp n GLY 265 N 1.77 3.07 3.61 4.50 0.00 -1.26 -4.90 105.19 111.98 1sqp n GLY 265 Ca 0.13 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1sqp n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqp n SER 266 N 1.18 0.06 -0.27 1.61 3.41 -1.16 -4.95 113.62 113.50 1sqp n SER 266 Ca 0.00 0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 59.07 1sqp n SER 266 Cb 0.00 -1.41 0.06 0.00 -0.26 0.00 0.00 64.21 62.60 1sqp n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqp h ALA 267 N -1.13 0.94 -0.84 7.33 0.00 -1.96 -3.11 119.26 120.48 1sqp h ALA 267 Ca -0.45 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.51 1sqp h ALA 267 Cb 1.30 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1sqp h ALA 267 CO 0.42 0.46 0.39 0.93 0.00 0.00 0.00 179.25 181.45 1sqp h GLU 268 N 1.02 0.48 -0.68 0.00 5.08 -1.92 -1.77 114.58 116.79 1sqp h GLU 268 Ca 0.26 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 1sqp h GLU 268 Cb 0.04 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1sqp h GLU 268 CO -0.04 0.32 0.40 0.00 -1.00 0.00 0.00 179.01 178.69 1sqp h ALA 269 N 1.61 0.91 -0.77 3.43 0.00 -1.77 -0.65 119.26 122.02 1sqp h ALA 269 Ca 0.49 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.49 1sqp h ALA 269 Cb 0.80 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1sqp h ALA 269 CO -0.43 0.10 0.50 -0.91 0.00 0.00 0.00 179.25 178.51 1sqp h ASN 270 N 0.75 0.63 -0.54 0.00 2.35 -1.43 0.43 115.58 117.77 1sqp h ASN 270 Ca 0.30 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1sqp h ASN 270 Cb 0.14 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1sqp h ASN 270 CO -0.16 0.38 0.10 0.00 -1.65 0.00 0.00 177.43 176.10 1sqp h ALA 271 N 1.61 0.71 -0.42 -0.83 0.00 -1.10 -2.19 119.26 117.04 1sqp h ALA 271 Ca 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sqp h ALA 271 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sqp h ALA 271 CO -0.13 0.44 0.13 0.74 0.00 0.00 0.00 179.25 180.43 1sqp h PHE 272 N 0.77 0.61 -0.00 0.00 0.04 -0.77 0.15 116.94 117.73 1sqp h PHE 272 Ca 0.16 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 1sqp h PHE 272 Cb 0.39 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1sqp h PHE 272 CO 0.03 0.51 -0.57 0.77 -0.60 0.00 0.00 178.31 178.45 1sqp h SER 273 N 0.60 0.01 0.12 2.17 0.02 -0.73 -1.05 113.55 114.68 1sqp h SER 273 Ca 0.14 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 1sqp h SER 273 Cb 0.19 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.75 1sqp h SER 273 CO -0.01 0.57 -0.84 0.58 -1.14 0.00 0.00 176.83 175.99 1sqp h VAL 274 N 0.00 1.46 -0.93 2.27 2.07 -0.69 -3.21 116.25 117.22 1sqp h VAL 274 Ca -0.01 -2.44 0.19 0.00 0.82 0.00 0.00 66.70 65.26 1sqp h VAL 274 Cb 1.00 3.02 -0.11 0.00 -1.52 0.00 0.00 31.29 33.69 1sqp h VAL 274 CO 0.07 0.70 0.51 0.25 0.02 0.00 0.00 177.57 179.13 1sqp h LEU 275 N -0.23 0.60 -1.46 2.57 5.85 -0.52 0.44 115.31 122.57 1sqp h LEU 275 Ca -0.14 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1sqp h LEU 275 Cb 1.63 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 1sqp h LEU 275 CO 0.16 0.18 0.12 -0.61 -0.34 0.00 0.00 178.44 177.95 1sqp h GLN 276 N 0.62 0.48 0.00 1.25 4.15 -1.22 -1.28 115.11 119.12 1sqp h GLN 276 Ca 0.55 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.91 1sqp h GLN 276 Cb 0.90 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.50 1sqp h GLN 276 CO -0.42 0.42 -0.69 0.45 -1.93 0.00 0.00 178.83 176.66 1sqp h HIS 277 N 0.48 0.00 -0.39 3.99 3.86 -0.98 0.86 115.15 122.97 1sqp h HIS 277 Ca 0.12 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 1sqp h HIS 277 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1sqp h HIS 277 CO 0.00 0.00 -0.38 0.28 0.86 0.00 0.00 177.93 178.69 1sqp h VAL 278 N 0.00 1.27 0.03 2.45 2.07 -0.18 -3.36 116.25 118.53 1sqp h VAL 278 Ca 0.00 -1.55 -0.22 0.00 0.82 0.00 0.00 66.70 65.75 1sqp h VAL 278 Cb 0.91 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1sqp h VAL 278 CO 0.00 0.52 -1.18 -0.07 0.02 0.00 0.00 177.57 176.86 1sqp h LEU 279 N 0.77 0.10 0.00 2.57 3.38 -1.30 -3.27 115.31 117.57 1sqp h LEU 279 Ca 0.06 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1sqp h LEU 279 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1sqp h LEU 279 CO 0.09 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.72 1sqp n GLY 280 N 1.56 3.47 0.00 0.83 0.00 0.29 -1.02 105.19 110.33 1sqp n GLY 280 Ca -0.28 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1sqp n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqp n ALA 281 N 0.00 0.00 -0.46 4.61 0.00 -1.21 0.28 120.51 123.73 1sqp n ALA 281 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1sqp n ALA 281 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1sqp n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqp n GLY 282 N 5.00 -2.64 3.82 0.00 0.00 -1.26 -4.81 105.19 105.30 1sqp n GLY 282 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1sqp n GLY 282 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqp s PRO 283 N -4.21 1.35 -0.01 1.61 0.04 -1.26 -5.01 135.00 127.51 1sqp s PRO 283 Ca 0.63 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.89 1sqp s PRO 283 Cb -0.18 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1sqp s PRO 283 CO 0.61 -2.04 0.00 0.72 0.04 0.00 0.00 177.00 176.34 1sqp n HIS 284 N -3.64 0.00 -4.76 0.56 8.25 -1.26 -5.04 115.22 109.33 1sqp n HIS 284 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1sqp n HIS 284 Cb 0.60 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.54 1sqp n HIS 284 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqp s VAL 285 N -2.02 3.20 -0.30 1.59 1.01 -1.26 -5.06 120.40 117.56 1sqp s VAL 285 Ca -0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 1sqp s VAL 285 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1sqp s VAL 285 CO 0.03 0.55 1.99 -0.75 0.00 0.00 0.00 175.10 176.92 1sqp s LYS 286 N -0.09 3.18 -0.27 2.72 2.20 -1.26 -3.50 119.74 122.73 1sqp s LYS 286 Ca -0.01 1.64 -0.09 0.00 -0.36 0.00 0.00 55.97 57.15 1sqp s LYS 286 Cb -0.14 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 31.91 1sqp s LYS 286 CO 0.03 -2.04 0.34 0.54 -0.36 0.00 0.00 175.35 173.87 1sqp n ARG 287 N 8.61 -1.60 -4.04 4.03 1.74 -1.26 -5.09 116.66 119.05 1sqp n ARG 287 Ca 0.26 1.58 -0.08 0.00 -0.77 0.00 0.00 57.85 58.85 1sqp n ARG 287 Cb 0.46 -4.13 -0.10 0.00 -1.02 0.00 0.00 32.46 27.68 1sqp n ARG 287 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sqp s GLY 288 N -1.92 0.38 0.00 -0.13 0.00 -1.23 -5.03 107.32 99.39 1sqp s GLY 288 Ca 0.14 -1.02 0.20 0.00 0.00 0.00 0.00 44.72 44.05 1sqp s GLY 288 CO 0.49 -1.13 1.62 -1.14 0.00 0.00 0.00 173.10 172.94 1sqp n SER 289 N 0.32 0.00 -3.61 1.64 3.41 -1.26 -4.90 113.62 109.22 1sqp n SER 289 Ca -0.16 -0.23 -0.22 0.00 -0.26 0.00 0.00 58.87 58.00 1sqp n SER 289 Cb 0.60 -0.18 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1sqp n SER 289 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sqp n ASN 290 N -1.18 -2.74 -0.30 4.04 5.03 -1.26 -4.77 115.26 114.07 1sqp n ASN 290 Ca 0.12 -0.82 0.12 0.00 0.87 0.00 0.00 54.58 54.86 1sqp n ASN 290 Cb 0.13 -4.20 0.29 0.00 -1.02 0.00 0.00 39.78 34.98 1sqp n ASN 290 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sqp h ALA 291 N 0.72 1.40 0.00 5.41 0.00 -2.02 0.13 119.26 124.90 1sqp h ALA 291 Ca -0.62 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1sqp h ALA 291 Cb 1.35 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1sqp h ALA 291 CO 0.53 -0.30 0.00 2.41 0.00 0.00 0.00 179.25 181.89 1sqp n THR 292 N -5.02 0.66 -2.39 0.00 -1.04 -1.26 -4.69 114.28 100.55 1sqp n THR 292 Ca 0.21 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1sqp n THR 292 Cb 0.61 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.37 1sqp n THR 292 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sqp s SER 293 N -4.51 5.94 0.48 8.00 0.15 0.44 -4.87 113.70 119.33 1sqp s SER 293 Ca 0.09 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 56.87 1sqp s SER 293 Cb 0.11 -2.55 1.23 0.00 -1.71 0.00 0.00 66.02 63.11 1sqp s SER 293 CO 0.55 -1.94 2.01 0.77 1.20 0.00 0.00 173.24 175.83 1sqp h SER 294 N 11.45 0.00 -0.12 5.45 4.64 -1.47 -1.40 113.55 132.10 1sqp h SER 294 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1sqp h SER 294 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1sqp h SER 294 CO 1.24 0.17 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.95 1sqp h LEU 295 N 0.00 0.52 -0.18 5.97 3.38 -1.35 -2.72 115.31 120.93 1sqp h LEU 295 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1sqp h LEU 295 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sqp h LEU 295 CO 0.02 1.02 0.08 0.22 0.09 0.00 0.00 178.44 179.87 1sqp h TYR 296 N 0.04 0.26 -0.44 1.13 5.03 -1.56 -2.38 116.97 119.04 1sqp h TYR 296 Ca -0.01 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.32 1sqp h TYR 296 Cb 0.97 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 1sqp h TYR 296 CO 0.11 0.30 0.29 1.96 -1.32 0.00 0.00 178.16 179.50 1sqp h GLN 297 N 0.14 0.47 -0.23 1.82 7.50 -1.38 -1.50 115.11 121.93 1sqp h GLN 297 Ca 0.06 -0.03 -0.16 0.00 0.50 0.00 0.00 58.65 59.02 1sqp h GLN 297 Cb 0.14 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.57 1sqp h GLN 297 CO -0.01 0.31 -0.47 0.00 -1.50 0.00 0.00 178.83 177.16 1sqp h ALA 298 N 1.75 0.36 -0.05 3.87 0.00 -1.10 -2.73 119.26 121.36 1sqp h ALA 298 Ca 0.18 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1sqp h ALA 298 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sqp h ALA 298 CO -0.04 0.52 -0.10 0.28 0.00 0.00 0.00 179.25 179.90 1sqp h VAL 299 N 0.44 1.44 -1.06 0.00 2.07 -1.26 -3.28 116.25 114.59 1sqp h VAL 299 Ca 0.01 -1.45 0.28 0.00 0.82 0.00 0.00 66.70 66.36 1sqp h VAL 299 Cb 1.08 2.29 -0.08 0.00 -1.52 0.00 0.00 31.29 33.05 1sqp h VAL 299 CO 0.10 0.40 0.71 0.00 0.02 0.00 0.00 177.57 178.80 1sqp h ALA 300 N 0.45 2.49 -0.87 1.67 0.00 -1.28 -1.09 119.26 120.63 1sqp h ALA 300 Ca 0.00 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1sqp h ALA 300 Cb 0.70 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 1sqp h ALA 300 CO 0.02 -0.86 0.40 -0.22 0.00 0.00 0.00 179.25 178.59 1sqp h LYS 301 N 0.27 0.48 0.00 0.00 3.64 -1.55 -3.16 116.57 116.25 1sqp h LYS 301 Ca 0.57 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1sqp h LYS 301 Cb 1.70 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1sqp h LYS 301 CO -0.21 0.32 -0.15 0.41 -2.27 0.00 0.00 179.45 177.55 1sqp n GLY 302 N -1.33 2.10 2.90 5.01 0.00 -0.61 -4.98 105.19 108.29 1sqp n GLY 302 Ca 0.19 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1sqp n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqp s VAL 303 N -1.27 1.17 -0.53 1.61 1.01 -0.51 -5.05 120.40 116.84 1sqp s VAL 303 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1sqp s VAL 303 Cb 0.11 -1.37 0.40 0.00 0.00 0.00 0.00 36.38 35.52 1sqp s VAL 303 CO 0.01 0.09 1.26 1.41 0.00 0.00 0.00 175.10 177.87 1sqp n HIS 304 N 4.84 3.38 -3.99 5.22 -0.00 -1.26 -4.48 115.22 118.93 1sqp n HIS 304 Ca -0.12 -3.04 -0.09 0.00 -0.00 0.00 0.00 57.72 54.47 1sqp n HIS 304 Cb 0.47 -0.31 -0.05 0.00 -0.00 0.00 0.00 29.99 30.10 1sqp n HIS 304 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1sqp s GLN 305 N -3.64 1.56 -0.04 -0.41 0.00 -1.26 -5.14 119.66 110.73 1sqp s GLN 305 Ca 0.49 -1.24 -0.35 0.00 -0.00 0.00 0.00 55.36 54.25 1sqp s GLN 305 Cb 0.40 0.48 -0.13 0.00 0.00 0.00 0.00 33.01 33.75 1sqp s GLN 305 CO -0.22 -0.65 1.72 -2.30 0.00 0.00 0.00 175.29 173.84 1sqp n PRO 306 N -0.39 1.87 -3.72 9.60 -0.02 -1.26 -5.00 135.00 136.09 1sqp n PRO 306 Ca -0.02 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1sqp n PRO 306 Cb 0.62 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1sqp n PRO 306 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1sqp s PHE 307 N 2.83 -0.10 0.04 6.00 -0.12 -1.26 -4.12 117.98 121.25 1sqp s PHE 307 Ca 0.90 -0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.55 1sqp s PHE 307 Cb -0.79 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1sqp s PHE 307 CO 0.50 -0.81 -0.06 0.34 -0.05 0.00 0.00 175.22 175.14 1sqp s ASP 308 N -2.86 0.73 -0.16 1.98 2.15 0.97 -4.98 116.67 114.51 1sqp s ASP 308 Ca 0.08 -0.61 -0.08 0.00 0.43 0.00 0.00 52.55 52.36 1sqp s ASP 308 Cb 0.01 0.07 0.06 0.00 -0.30 0.00 0.00 42.92 42.75 1sqp s ASP 308 CO -0.06 -0.28 0.37 0.54 -0.17 0.00 0.00 175.17 175.58 1sqp s VAL 309 N -1.79 -0.07 0.02 1.11 0.11 -1.26 -0.95 120.40 117.58 1sqp s VAL 309 Ca -0.08 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1sqp s VAL 309 Cb -0.07 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1sqp s VAL 309 CO -0.01 0.05 -0.03 -0.55 -3.33 0.00 0.00 175.10 171.22 1sqp s SER 310 N 1.45 0.29 0.25 3.54 0.15 0.07 -4.70 113.70 114.75 1sqp s SER 310 Ca -0.09 -0.52 -0.30 0.00 0.70 0.00 0.00 55.95 55.74 1sqp s SER 310 Cb -0.09 0.10 -0.10 0.00 -1.71 0.00 0.00 66.02 64.22 1sqp s SER 310 CO -0.12 -0.30 1.47 0.00 1.20 0.00 0.00 173.24 175.49 1sqp s ALA 311 N -1.53 3.65 -0.12 5.45 0.00 0.14 0.76 121.76 130.11 1sqp s ALA 311 Ca -0.15 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1sqp s ALA 311 Cb -0.09 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1sqp s ALA 311 CO -0.01 -0.78 -0.11 0.12 0.00 0.00 0.00 175.76 174.98 1sqp s PHE 312 N 0.06 2.84 -0.17 0.00 2.19 0.83 -4.71 117.98 119.03 1sqp s PHE 312 Ca 0.60 -0.46 -0.05 0.00 0.33 0.00 0.00 56.93 57.36 1sqp s PHE 312 Cb -0.43 -1.82 0.06 0.00 -1.31 0.00 0.00 43.02 39.52 1sqp s PHE 312 CO 0.43 -0.08 0.11 1.21 1.83 0.00 0.00 175.22 178.73 1sqp s ASN 313 N 0.11 2.10 -0.15 6.13 2.47 -1.26 -1.11 114.94 123.22 1sqp s ASN 313 Ca -0.05 -0.50 0.02 0.00 0.42 0.00 0.00 52.86 52.75 1sqp s ASN 313 Cb -0.14 -0.12 0.02 0.00 -1.45 0.00 0.00 41.25 39.55 1sqp s ASN 313 CO 0.04 -0.34 -0.20 0.00 -3.72 0.00 0.00 177.10 172.88 1sqp s ALA 314 N 2.18 2.18 -0.09 1.71 0.00 0.11 -5.00 121.76 122.84 1sqp s ALA 314 Ca 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1sqp s ALA 314 Cb -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1sqp s ALA 314 CO -0.09 -0.21 -0.22 0.45 0.00 0.00 0.00 175.76 175.69 1sqp s SER 315 N 1.10 2.82 0.46 0.00 0.15 -1.26 -0.96 113.70 116.01 1sqp s SER 315 Ca -0.01 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.17 1sqp s SER 315 Cb -0.14 -1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.93 1sqp s SER 315 CO -0.07 0.15 0.08 -0.31 1.20 0.00 0.00 173.24 174.28 1sqp s TYR 316 N 0.34 1.80 0.38 3.44 2.02 -0.80 -4.75 117.35 119.78 1sqp s TYR 316 Ca -0.16 -1.17 0.09 0.00 -0.37 0.00 0.00 57.07 55.46 1sqp s TYR 316 Cb -0.17 -1.34 0.77 0.00 -0.40 0.00 0.00 41.96 40.82 1sqp s TYR 316 CO 0.07 -0.10 1.91 0.66 -1.57 0.00 0.00 175.55 176.52 1sqp h SER 317 N 1.57 0.22 0.00 2.29 4.64 -1.94 0.25 113.55 120.59 1sqp h SER 317 Ca -0.39 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1sqp h SER 317 Cb 1.29 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1sqp h SER 317 CO 0.63 0.39 0.00 -0.90 -0.87 0.00 0.00 176.83 176.08 1sqp n ASP 318 N -4.26 0.00 -2.67 4.97 5.75 -1.26 -4.58 116.55 114.49 1sqp n ASP 318 Ca -0.01 -1.00 -0.09 0.00 -0.01 0.00 0.00 54.79 53.68 1sqp n ASP 318 Cb 0.28 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.38 1sqp n ASP 318 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1sqp n SER 319 N 0.00 -1.87 -3.50 -1.12 2.88 -1.26 -4.79 113.62 103.95 1sqp n SER 319 Ca 0.00 -2.52 -0.12 0.00 -1.33 0.00 0.00 58.87 54.90 1sqp n SER 319 Cb 0.39 3.19 -0.04 0.00 -0.75 0.00 0.00 64.21 67.00 1sqp n SER 319 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sqp s GLY 320 N -2.90 -0.49 -0.11 0.46 0.00 -1.26 -1.91 107.32 101.11 1sqp s GLY 320 Ca 0.17 1.17 -0.00 0.00 0.00 0.00 0.00 44.72 46.06 1sqp s GLY 320 CO 0.13 0.58 -0.08 1.08 0.00 0.00 0.00 173.10 174.80 1sqp s LEU 321 N -1.97 1.24 0.06 0.66 1.43 -0.14 -1.43 118.68 118.52 1sqp s LEU 321 Ca -0.01 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1sqp s LEU 321 Cb -0.01 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1sqp s LEU 321 CO -0.04 -0.10 -0.19 0.12 0.23 0.00 0.00 176.35 176.37 1sqp s PHE 322 N 1.59 2.52 0.00 0.29 5.36 -0.75 0.06 117.98 127.05 1sqp s PHE 322 Ca 0.03 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1sqp s PHE 322 Cb -0.13 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 1sqp s PHE 322 CO -0.07 0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 1sqp n GLY 323 N 1.43 -0.87 3.11 13.12 0.00 -0.27 -0.96 105.19 120.75 1sqp n GLY 323 Ca -0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 1sqp n GLY 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sqp s PHE 324 N -3.86 0.61 -0.03 1.61 -0.12 -0.25 -0.12 117.98 115.82 1sqp s PHE 324 Ca 0.00 -1.02 0.06 0.00 -0.05 0.00 0.00 56.93 55.92 1sqp s PHE 324 Cb 0.00 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.96 1sqp s PHE 324 CO 0.00 -0.32 -0.21 -0.47 -0.05 0.00 0.00 175.22 174.18 1sqp s TYR 325 N -3.79 1.94 -0.02 3.49 6.14 0.23 -0.81 117.35 124.53 1sqp s TYR 325 Ca 0.08 -0.46 0.03 0.00 0.64 0.00 0.00 57.07 57.36 1sqp s TYR 325 Cb 0.07 -1.27 -0.00 0.00 0.42 0.00 0.00 41.96 41.17 1sqp s TYR 325 CO -0.08 -0.10 -0.11 0.95 0.64 0.00 0.00 175.55 176.84 1sqp s THR 326 N -0.30 0.93 -0.16 4.34 -4.23 0.89 -0.75 115.64 116.37 1sqp s THR 326 Ca 0.03 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1sqp s THR 326 Cb -0.10 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1sqp s THR 326 CO 0.01 0.27 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.53 1sqp s ILE 327 N -0.07 2.20 0.18 2.99 1.01 -0.12 -1.17 121.20 126.22 1sqp s ILE 327 Ca 0.01 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.56 1sqp s ILE 327 Cb -0.07 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.53 1sqp s ILE 327 CO 0.00 0.54 0.51 -0.94 0.00 0.00 0.00 174.94 175.05 1sqp s SER 328 N 0.96 -0.28 0.47 3.58 1.04 -0.55 -0.02 113.70 118.89 1sqp s SER 328 Ca -0.03 -0.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.74 1sqp s SER 328 Cb -0.15 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1sqp s SER 328 CO -0.05 -1.02 1.30 0.00 0.98 0.00 0.00 173.24 174.46 1sqp n GLN 329 N -0.33 1.86 -0.32 4.02 1.13 -1.26 0.17 117.38 122.65 1sqp n GLN 329 Ca -0.11 0.67 0.04 0.00 -1.94 0.00 0.00 57.00 55.66 1sqp n GLN 329 Cb 0.63 -2.46 0.11 0.00 0.11 0.00 0.00 30.24 28.62 1sqp n GLN 329 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sqp n ALA 330 N -0.53 0.16 0.15 -1.58 0.00 -1.26 -1.49 120.51 115.96 1sqp n ALA 330 Ca 0.08 0.96 0.03 0.00 0.00 0.00 0.00 53.44 54.50 1sqp n ALA 330 Cb 0.42 -0.55 0.14 0.00 0.00 0.00 0.00 19.45 19.46 1sqp n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqp h ALA 331 N 1.68 0.78 -0.00 0.00 0.00 -1.90 -3.11 119.26 116.70 1sqp h ALA 331 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sqp h ALA 331 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sqp h ALA 331 CO -0.90 0.63 -0.35 0.43 0.00 0.00 0.00 179.25 179.06 1sqp n SER 332 N -3.38 0.45 -0.08 0.00 7.64 -0.55 -4.59 113.62 113.11 1sqp n SER 332 Ca 0.01 -0.19 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1sqp n SER 332 Cb 0.66 0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1sqp n SER 332 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqp h ALA 333 N 3.11 -0.59 -0.01 -0.43 0.00 -1.33 0.14 119.26 120.16 1sqp h ALA 333 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sqp h ALA 333 Cb 0.49 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sqp h ALA 333 CO 0.00 -0.94 -0.00 0.78 0.00 0.00 0.00 179.25 179.09 1sqp h GLY 334 N -0.41 0.01 0.52 0.00 0.00 -1.65 -0.34 103.07 101.19 1sqp h GLY 334 Ca 0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1sqp h GLY 334 CO -0.52 0.00 -0.33 -0.55 0.00 0.00 0.00 176.54 175.14 1sqp h ASP 335 N 0.01 0.29 -0.74 0.19 3.32 -1.61 -1.94 116.42 115.94 1sqp h ASP 335 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 57.03 56.33 1sqp h ASP 335 Cb 0.01 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1sqp h ASP 335 CO 0.00 1.03 0.44 0.58 -1.72 0.00 0.00 179.24 179.57 1sqp h VAL 336 N -0.42 1.02 0.14 -1.35 2.07 -0.13 -1.04 116.25 116.54 1sqp h VAL 336 Ca -0.04 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sqp h VAL 336 Cb 1.09 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1sqp h VAL 336 CO 0.07 0.15 -0.07 0.40 0.02 0.00 0.00 177.57 178.14 1sqp h ILE 337 N 0.81 1.01 -0.65 4.57 2.04 -1.14 -1.95 117.51 122.20 1sqp h ILE 337 Ca 0.32 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1sqp h ILE 337 Cb 0.15 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1sqp h ILE 337 CO -0.17 0.17 0.43 0.11 0.00 0.00 0.00 178.15 178.69 1sqp h LYS 338 N -0.54 0.83 -0.26 2.37 1.57 -1.23 0.11 116.57 119.42 1sqp h LYS 338 Ca -0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1sqp h LYS 338 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1sqp h LYS 338 CO 0.03 0.55 -0.08 0.00 -0.57 0.00 0.00 179.45 179.38 1sqp h ALA 339 N 1.60 0.37 0.00 3.86 0.00 -1.11 -1.01 119.26 122.97 1sqp h ALA 339 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sqp h ALA 339 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sqp h ALA 339 CO -0.06 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.38 1sqp h ALA 340 N 0.76 -0.00 -0.35 0.00 0.00 -0.58 -2.03 119.26 117.06 1sqp h ALA 340 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1sqp h ALA 340 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1sqp h ALA 340 CO 0.03 -0.45 0.05 -0.92 0.00 0.00 0.00 179.25 177.97 1sqp h TYR 341 N -0.11 0.09 -0.12 0.00 3.20 -0.77 -2.16 116.97 117.10 1sqp h TYR 341 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1sqp h TYR 341 Cb 0.11 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1sqp h TYR 341 CO -0.04 -0.00 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.47 1sqp h ASN 342 N 0.17 0.16 -0.71 -2.11 -0.26 -1.09 -1.84 115.58 109.90 1sqp h ASN 342 Ca 0.17 -0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1sqp h ASN 342 Cb 0.20 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1sqp h ASN 342 CO -0.24 0.29 0.22 -0.61 -1.06 0.00 0.00 177.43 176.04 1sqp h GLN 343 N 0.17 1.11 -0.66 0.81 5.75 -0.75 -2.16 115.11 119.38 1sqp h GLN 343 Ca 0.04 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.26 1sqp h GLN 343 Cb 0.29 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1sqp h GLN 343 CO 0.02 0.96 0.27 0.28 -2.65 0.00 0.00 178.83 177.70 1sqp h VAL 344 N 1.06 1.24 -0.91 2.39 2.07 -0.86 -2.95 116.25 118.28 1sqp h VAL 344 Ca 0.23 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1sqp h VAL 344 Cb 0.31 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1sqp h VAL 344 CO -0.01 0.30 0.59 0.11 0.02 0.00 0.00 177.57 178.58 1sqp h LYS 345 N 0.94 0.99 -0.06 1.57 1.57 -0.94 -1.36 116.57 119.27 1sqp h LYS 345 Ca 0.22 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1sqp h LYS 345 Cb 0.20 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1sqp h LYS 345 CO -0.02 0.65 -0.38 1.79 -0.57 0.00 0.00 179.45 180.92 1sqp h THR 346 N 1.02 1.29 -0.07 -0.16 1.35 -1.23 -0.42 112.91 114.69 1sqp h THR 346 Ca 0.40 -1.39 -0.17 0.00 -0.55 0.00 0.00 66.41 64.70 1sqp h THR 346 Cb 0.23 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1sqp h THR 346 CO -0.16 0.41 -0.70 0.40 -0.25 0.00 0.00 175.52 175.23 1sqp h ILE 347 N 0.11 1.39 -0.03 6.82 2.04 -1.26 -0.66 117.51 125.92 1sqp h ILE 347 Ca 0.01 -2.13 -0.12 0.00 1.00 0.00 0.00 64.86 63.62 1sqp h ILE 347 Cb 0.73 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1sqp h ILE 347 CO 0.05 0.63 -0.54 0.00 0.00 0.00 0.00 178.15 178.30 1sqp h ALA 348 N 1.03 1.04 0.00 1.87 0.00 -0.79 -2.96 119.26 119.45 1sqp h ALA 348 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sqp h ALA 348 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sqp h ALA 348 CO 0.11 0.68 0.00 1.04 0.00 0.00 0.00 179.25 181.08 1sqp n GLN 349 N -3.90 0.18 0.00 0.00 6.02 -0.22 -4.80 117.38 114.66 1sqp n GLN 349 Ca -0.02 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1sqp n GLN 349 Cb 0.56 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1sqp n GLN 349 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqp n GLY 350 N 0.74 1.21 3.33 1.08 0.00 -1.08 -5.07 105.19 105.40 1sqp n GLY 350 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1sqp n GLY 350 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sqp n ASN 351 N 0.00 4.84 -3.61 1.61 3.02 -0.28 -4.85 115.26 115.99 1sqp n ASN 351 Ca 0.00 -2.94 -0.09 0.00 -0.03 0.00 0.00 54.58 51.52 1sqp n ASN 351 Cb 0.00 -1.66 -0.09 0.00 -0.61 0.00 0.00 39.78 37.42 1sqp n ASN 351 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sqp s LEU 352 N 2.74 -0.63 0.60 3.41 2.96 -1.26 -4.49 118.68 122.01 1sqp s LEU 352 Ca 0.48 0.87 -0.09 0.00 -0.22 0.00 0.00 54.13 55.18 1sqp s LEU 352 Cb 0.05 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 48.01 1sqp s LEU 352 CO 0.02 -0.24 0.96 -0.94 -1.32 0.00 0.00 176.35 174.83 1sqp s SER 353 N 2.60 5.96 0.11 3.68 1.04 -1.26 -5.02 113.70 120.80 1sqp s SER 353 Ca 0.01 1.12 -0.20 0.00 0.48 0.00 0.00 55.95 57.35 1sqp s SER 353 Cb -0.12 -2.17 -0.08 0.00 0.10 0.00 0.00 66.02 63.75 1sqp s SER 353 CO -0.13 -0.93 1.73 -1.13 0.98 0.00 0.00 173.24 173.76 1sqp h ASN 354 N -0.24 0.22 0.14 7.02 -0.73 -2.01 -3.09 115.58 116.90 1sqp h ASN 354 Ca -0.45 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 57.65 1sqp h ASN 354 Cb 1.22 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.75 1sqp h ASN 354 CO 0.62 0.21 -0.07 -0.65 -0.37 0.00 0.00 177.43 177.18 1sqp h PRO 355 N 0.22 0.00 -0.04 6.67 0.11 -1.98 -1.16 132.00 135.81 1sqp h PRO 355 Ca 0.07 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.19 1sqp h PRO 355 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1sqp h PRO 355 CO -0.01 0.07 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.38 1sqp h ASP 356 N 0.00 -0.09 -0.40 -2.05 5.19 -1.94 -1.26 116.42 115.87 1sqp h ASP 356 Ca -0.00 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 1sqp h ASP 356 Cb 0.15 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1sqp h ASP 356 CO 0.01 -0.04 -0.04 0.58 -3.12 0.00 0.00 179.24 176.63 1sqp h VAL 357 N -0.03 1.27 -0.92 -1.35 2.07 -1.44 -2.70 116.25 113.14 1sqp h VAL 357 Ca 0.03 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.60 1sqp h VAL 357 Cb 0.07 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 1sqp h VAL 357 CO -0.06 0.37 0.53 -0.61 0.02 0.00 0.00 177.57 177.82 1sqp h GLN 358 N 0.56 0.76 -0.44 1.57 5.75 -1.07 0.22 115.11 122.46 1sqp h GLN 358 Ca 0.11 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.42 1sqp h GLN 358 Cb 0.54 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1sqp h GLN 358 CO 0.03 0.50 -0.30 0.00 -2.65 0.00 0.00 178.83 176.41 1sqp h ALA 359 N 1.55 0.62 -0.64 3.38 0.00 -1.12 -1.56 119.26 121.49 1sqp h ALA 359 Ca 0.49 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1sqp h ALA 359 Cb 0.61 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1sqp h ALA 359 CO -0.32 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.69 1sqp h ALA 360 N 0.82 0.86 -0.09 0.00 0.00 -0.91 0.19 119.26 120.13 1sqp h ALA 360 Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sqp h ALA 360 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1sqp h ALA 360 CO 0.08 0.63 -0.09 0.87 0.00 0.00 0.00 179.25 180.74 1sqp h LYS 361 N 0.99 -0.11 -0.62 0.00 1.79 -0.47 0.13 116.57 118.28 1sqp h LYS 361 Ca 0.19 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.61 1sqp h LYS 361 Cb 0.45 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1sqp h LYS 361 CO 0.01 -0.07 0.16 -0.91 -1.08 0.00 0.00 179.45 177.56 1sqp h ASN 362 N -0.11 0.90 -0.43 0.86 -0.26 -0.84 0.23 115.58 115.93 1sqp h ASN 362 Ca 0.07 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.59 1sqp h ASN 362 Cb 0.20 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1sqp h ASN 362 CO -0.16 0.87 0.12 0.11 -1.06 0.00 0.00 177.43 177.31 1sqp h LYS 363 N 0.92 0.68 0.05 0.81 1.57 -0.10 -1.54 116.57 118.97 1sqp h LYS 363 Ca 0.20 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1sqp h LYS 363 Cb 0.32 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1sqp h LYS 363 CO -0.00 0.68 -0.03 1.25 -0.57 0.00 0.00 179.45 180.79 1sqp h LEU 364 N 0.56 -0.06 -0.00 2.94 5.85 -0.03 -1.76 115.31 122.80 1sqp h LEU 364 Ca 0.14 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1sqp h LEU 364 Cb 0.30 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1sqp h LEU 364 CO -0.00 0.27 -0.11 0.11 -0.34 0.00 0.00 178.44 178.36 1sqp h LYS 365 N -0.39 -0.18 -0.42 1.25 1.57 -0.57 0.24 116.57 118.06 1sqp h LYS 365 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqp h LYS 365 Cb 0.35 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1sqp h LYS 365 CO 0.01 -0.12 0.25 0.00 -0.57 0.00 0.00 179.45 179.02 1sqp h ALA 366 N 0.78 0.54 -0.72 3.86 0.00 -1.33 -1.83 119.26 120.56 1sqp h ALA 366 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sqp h ALA 366 Cb 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1sqp h ALA 366 CO -0.12 0.04 0.45 0.78 0.00 0.00 0.00 179.25 180.40 1sqp h GLY 367 N 0.56 1.04 0.97 0.00 0.00 -1.09 -0.25 103.07 104.30 1sqp h GLY 367 Ca 0.15 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1sqp h GLY 367 CO -0.03 0.41 0.17 -1.82 0.00 0.00 0.00 176.54 175.27 1sqp h TYR 368 N 0.98 0.40 -0.68 5.60 3.20 -0.48 -1.03 116.97 124.96 1sqp h TYR 368 Ca 0.26 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1sqp h TYR 368 Cb -0.06 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1sqp h TYR 368 CO -0.02 0.30 0.30 -0.07 -1.64 0.00 0.00 178.16 177.04 1sqp h LEU 369 N 0.37 0.92 -1.30 2.82 3.38 -0.51 -2.00 115.31 118.99 1sqp h LEU 369 Ca 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1sqp h LEU 369 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1sqp h LEU 369 CO -0.02 0.82 -0.17 0.24 0.09 0.00 0.00 178.44 179.40 1sqp h MET 370 N 0.96 0.26 0.00 1.13 2.86 -0.94 -2.47 114.93 116.73 1sqp h MET 370 Ca 0.23 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1sqp h MET 370 Cb 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1sqp h MET 370 CO -0.02 0.43 -0.12 1.03 1.06 0.00 0.00 176.91 179.29 1sqp h SER 371 N 0.25 0.00 -0.15 1.22 0.87 -0.42 -2.49 113.55 112.82 1sqp h SER 371 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sqp h SER 371 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1sqp h SER 371 CO 0.03 0.12 0.00 1.33 -0.53 0.00 0.00 176.83 177.77 1sqp n VAL 372 N -3.92 0.33 0.22 2.23 0.24 -0.95 -4.29 118.33 112.19 1sqp n VAL 372 Ca -0.02 -0.66 0.09 0.00 -2.04 0.00 0.00 64.34 61.70 1sqp n VAL 372 Cb 0.21 1.03 0.51 0.00 -1.47 0.00 0.00 33.84 34.12 1sqp n VAL 372 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1sqp h GLU 373 N 2.67 0.00 -6.59 7.34 4.11 -1.21 -3.33 114.58 117.56 1sqp h GLU 373 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.97 1sqp h GLU 373 Cb 0.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.92 1sqp h GLU 373 CO 0.00 0.24 -0.16 -1.54 0.07 0.00 0.00 179.01 177.63 1sqp s SER 374 N -6.35 6.00 0.48 3.06 1.04 -1.26 -5.00 113.70 111.67 1sqp s SER 374 Ca -0.01 0.28 0.28 0.00 0.48 0.00 0.00 55.95 56.97 1sqp s SER 374 Cb 0.12 -1.66 1.06 0.00 0.10 0.00 0.00 66.02 65.65 1sqp s SER 374 CO 0.64 -0.53 1.88 0.77 0.98 0.00 0.00 173.24 176.97 1sqp h SER 375 N 0.58 0.00 -0.15 7.02 4.64 -1.98 -1.13 113.55 122.53 1sqp h SER 375 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 1sqp h SER 375 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sqp h SER 375 CO 0.58 0.13 -0.46 -0.08 -0.87 0.00 0.00 176.83 176.12 1sqp h GLU 376 N 0.00 0.58 0.03 4.77 4.81 -1.95 -1.58 114.58 121.24 1sqp h GLU 376 Ca -0.00 -0.42 -0.22 0.00 -0.13 0.00 0.00 59.36 58.59 1sqp h GLU 376 Cb 0.67 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1sqp h GLU 376 CO 0.02 1.04 -1.02 0.78 -0.73 0.00 0.00 179.01 179.10 1sqp h GLY 377 N 0.22 0.10 0.83 1.92 0.00 -1.75 -2.91 103.07 101.48 1sqp h GLY 377 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1sqp h GLY 377 CO 0.10 0.20 -0.22 -2.75 0.00 0.00 0.00 176.54 173.86 1sqp h PHE 378 N 0.03 -0.58 -0.79 5.60 3.57 -1.20 -2.68 116.94 120.89 1sqp h PHE 378 Ca -0.04 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1sqp h PHE 378 Cb 1.75 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.63 1sqp h PHE 378 CO 0.02 -0.28 0.52 1.25 -2.23 0.00 0.00 178.31 177.59 1sqp h LEU 379 N -0.80 0.71 -0.80 0.59 5.85 -1.34 -0.25 115.31 119.27 1sqp h LEU 379 Ca -0.06 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 1sqp h LEU 379 Cb 0.56 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1sqp h LEU 379 CO 0.10 0.45 -0.37 -0.78 -0.34 0.00 0.00 178.44 177.50 1sqp h ASP 380 N 0.80 0.47 -0.01 1.25 3.58 -1.53 -0.46 116.42 120.52 1sqp h ASP 380 Ca 0.35 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 1sqp h ASP 380 Cb 0.33 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.25 1sqp h ASP 380 CO -0.13 0.81 -0.34 -0.08 -2.88 0.00 0.00 179.24 176.62 1sqp h GLU 381 N 0.38 0.25 -0.56 0.28 4.57 -0.72 -0.26 114.58 118.52 1sqp h GLU 381 Ca 0.04 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1sqp h GLU 381 Cb 0.83 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1sqp h GLU 381 CO 0.07 0.96 0.29 0.28 -1.18 0.00 0.00 179.01 179.42 1sqp h VAL 382 N -0.36 1.18 0.27 0.32 2.07 -1.29 0.11 116.25 118.55 1sqp h VAL 382 Ca -0.04 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1sqp h VAL 382 Cb 1.07 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sqp h VAL 382 CO 0.07 0.21 -0.13 1.23 0.02 0.00 0.00 177.57 178.96 1sqp h GLY 383 N 0.87 -0.38 1.86 2.17 0.00 -1.03 -1.26 103.07 105.29 1sqp h GLY 383 Ca 0.20 0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 1sqp h GLY 383 CO -0.03 -0.14 -0.30 1.76 0.00 0.00 0.00 176.54 177.84 1sqp h SER 384 N -0.63 0.17 -0.48 0.19 0.02 -0.84 -2.05 113.55 109.93 1sqp h SER 384 Ca -0.04 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1sqp h SER 384 Cb 0.45 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1sqp h SER 384 CO 0.06 0.47 0.04 1.56 -1.14 0.00 0.00 176.83 177.82 1sqp h GLN 385 N 0.15 0.83 -0.47 3.45 4.20 -0.80 -0.36 115.11 122.11 1sqp h GLN 385 Ca 0.02 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1sqp h GLN 385 Cb 0.61 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1sqp h GLN 385 CO 0.04 0.85 0.25 0.00 -0.67 0.00 0.00 178.83 179.30 1sqp h ALA 386 N 0.94 1.55 0.10 3.87 0.00 -0.54 -0.48 119.26 124.71 1sqp h ALA 386 Ca 0.14 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1sqp h ALA 386 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sqp h ALA 386 CO 0.02 0.38 -1.06 -0.07 0.00 0.00 0.00 179.25 178.51 1sqp h LEU 387 N 0.66 0.34 -0.37 0.00 3.38 -1.12 -1.52 115.31 116.68 1sqp h LEU 387 Ca 0.17 -0.87 -0.19 0.00 0.09 0.00 0.00 57.88 57.08 1sqp h LEU 387 Cb 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sqp h LEU 387 CO -0.03 1.47 -0.72 0.00 0.09 0.00 0.00 178.44 179.25 1sqp h ALA 388 N -0.04 0.55 0.00 1.53 0.00 -1.03 -3.38 119.26 116.88 1sqp h ALA 388 Ca -0.23 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1sqp h ALA 388 Cb 1.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1sqp h ALA 388 CO 0.06 0.74 -1.41 0.00 0.00 0.00 0.00 179.25 178.64 1sqp n ALA 389 N -2.53 1.85 -1.28 0.00 0.00 -0.21 -5.01 120.51 113.33 1sqp n ALA 389 Ca -0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.97 1sqp n ALA 389 Cb 0.71 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 1sqp n ALA 389 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqp n GLY 390 N 2.76 0.68 3.09 0.00 0.00 -0.57 -5.02 105.19 106.14 1sqp n GLY 390 Ca -0.11 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1sqp n GLY 390 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqp s SER 391 N -2.92 0.51 -0.22 1.61 0.15 -1.25 -4.97 113.70 106.61 1sqp s SER 391 Ca 0.00 -0.99 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 1sqp s SER 391 Cb 0.00 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1sqp s SER 391 CO 0.00 -0.59 -0.00 -0.47 1.20 0.00 0.00 173.24 173.38 1sqp s TYR 392 N -3.85 3.01 -0.35 3.44 5.04 -1.26 -3.61 117.35 119.76 1sqp s TYR 392 Ca 0.07 -0.66 -0.08 0.00 -2.44 0.00 0.00 57.07 53.96 1sqp s TYR 392 Cb 0.07 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.29 1sqp s TYR 392 CO -0.10 -0.40 0.14 0.99 -1.34 0.00 0.00 175.55 174.84 1sqp s THR 393 N 1.36 4.05 0.78 4.34 2.01 -1.26 -5.10 115.64 121.82 1sqp s THR 393 Ca 0.04 -1.04 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 1sqp s THR 393 Cb -0.15 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 69.15 1sqp s THR 393 CO 0.00 -0.20 1.21 -2.16 -0.69 0.00 0.00 174.62 172.78 1sqp s PRO 394 N 1.45 1.78 0.36 4.92 0.04 -1.26 -4.79 135.00 137.50 1sqp s PRO 394 Ca -0.00 1.77 0.11 0.00 0.04 0.00 0.00 61.00 62.91 1sqp s PRO 394 Cb -0.19 -1.79 0.87 0.00 0.04 0.00 0.00 34.50 33.43 1sqp s PRO 394 CO 0.04 -2.11 1.84 -1.00 0.04 0.00 0.00 177.00 175.81 1sqp h PRO 395 N -0.72 0.62 -0.90 0.56 0.13 -1.99 -2.56 132.00 127.14 1sqp h PRO 395 Ca -0.47 -0.04 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 1sqp h PRO 395 Cb 1.30 -0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1sqp h PRO 395 CO 0.47 0.41 0.58 1.03 -0.23 0.00 0.00 178.00 180.26 1sqp h SER 396 N 0.64 0.52 0.27 1.44 0.87 -2.00 0.78 113.55 116.08 1sqp h SER 396 Ca 0.49 0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.99 1sqp h SER 396 Cb 0.89 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1sqp h SER 396 CO -0.24 0.23 -1.82 0.35 -0.53 0.00 0.00 176.83 174.82 1sqp n THR 397 N -4.55 0.56 -0.14 2.23 -2.24 -0.99 -3.00 114.28 106.15 1sqp n THR 397 Ca 0.19 -0.61 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1sqp n THR 397 Cb 0.60 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1sqp n THR 397 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1sqp h VAL 398 N 0.00 1.22 -0.56 2.28 2.07 -0.77 0.10 116.25 120.58 1sqp h VAL 398 Ca -0.13 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1sqp h VAL 398 Cb 1.33 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1sqp h VAL 398 CO 0.01 0.25 0.27 -0.07 0.02 0.00 0.00 177.57 178.06 1sqp h LEU 399 N 0.50 0.71 -0.68 2.57 3.38 -1.05 -1.42 115.31 119.32 1sqp h LEU 399 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1sqp h LEU 399 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1sqp h LEU 399 CO -0.00 0.60 0.12 -0.61 0.09 0.00 0.00 178.44 178.64 1sqp h GLN 400 N 0.79 1.12 -0.06 1.13 4.15 -1.40 -1.96 115.11 118.89 1sqp h GLN 400 Ca 0.20 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.35 1sqp h GLN 400 Cb 0.08 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1sqp h GLN 400 CO -0.03 1.02 -0.12 0.37 -1.93 0.00 0.00 178.83 178.15 1sqp h GLN 401 N 1.05 -0.16 -0.76 1.69 5.75 0.19 -2.65 115.11 120.21 1sqp h GLN 401 Ca 0.21 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1sqp h GLN 401 Cb 0.44 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 1sqp h GLN 401 CO 0.01 -0.11 0.50 0.82 -2.65 0.00 0.00 178.83 177.40 1sqp h ILE 402 N -0.17 1.18 0.00 2.39 2.04 -1.25 -1.74 117.51 119.97 1sqp h ILE 402 Ca 0.06 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1sqp h ILE 402 Cb 0.25 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1sqp h ILE 402 CO -0.16 0.19 -0.19 0.44 0.00 0.00 0.00 178.15 178.43 1sqp h ASP 403 N 1.02 0.00 1.39 1.72 3.32 -1.19 -2.31 116.42 120.36 1sqp h ASP 403 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1sqp h ASP 403 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1sqp h ASP 403 CO -0.07 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 1sqp h ALA 404 N 1.81 1.00 -2.20 3.45 0.00 -0.95 -3.42 119.26 118.95 1sqp h ALA 404 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1sqp h ALA 404 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sqp h ALA 404 CO 0.02 0.00 1.21 0.08 0.00 0.00 0.00 179.25 180.57 1sqp s VAL 405 N -3.34 3.33 0.36 0.00 1.01 -0.87 -5.00 120.40 115.89 1sqp s VAL 405 Ca 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1sqp s VAL 405 Cb 0.08 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1sqp s VAL 405 CO 0.57 -0.09 0.62 0.00 0.00 0.00 0.00 175.10 176.21 1sqp s ALA 406 N 5.12 3.57 0.32 5.51 0.00 -1.26 -5.01 121.76 130.02 1sqp s ALA 406 Ca 0.82 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 52.26 1sqp s ALA 406 Cb -0.35 -2.34 0.94 0.00 0.00 0.00 0.00 23.12 21.38 1sqp s ALA 406 CO 0.34 0.01 1.68 -0.44 0.00 0.00 0.00 175.76 177.35 1sqp h ASP 407 N 1.03 0.43 0.33 0.00 5.19 -1.97 -0.33 116.42 121.11 1sqp h ASP 407 Ca -0.48 0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.07 1sqp h ASP 407 Cb 1.20 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 1sqp h ASP 407 CO 0.63 -0.08 -0.19 0.00 -3.12 0.00 0.00 179.24 176.49 1sqp h ALA 408 N 1.80 1.41 -0.10 3.45 0.00 -1.99 -1.60 119.26 122.23 1sqp h ALA 408 Ca 0.67 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.26 1sqp h ALA 408 Cb 1.42 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1sqp h ALA 408 CO -0.58 0.23 -0.50 -0.44 0.00 0.00 0.00 179.25 177.96 1sqp h ASP 409 N 0.00 0.61 -0.87 0.00 3.32 -1.45 -1.63 116.42 116.39 1sqp h ASP 409 Ca -0.00 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.39 1sqp h ASP 409 Cb 0.40 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1sqp h ASP 409 CO 0.02 1.16 0.48 0.58 -1.72 0.00 0.00 179.24 179.76 1sqp h VAL 410 N 0.10 1.25 -0.41 -1.35 2.07 -1.25 0.80 116.25 117.46 1sqp h VAL 410 Ca -0.03 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1sqp h VAL 410 Cb 1.14 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1sqp h VAL 410 CO 0.10 0.28 0.24 0.40 0.02 0.00 0.00 177.57 178.62 1sqp h ILE 411 N 1.21 1.14 0.00 4.57 2.04 -1.32 -2.42 117.51 122.73 1sqp h ILE 411 Ca 0.31 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1sqp h ILE 411 Cb 0.02 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1sqp h ILE 411 CO -0.05 0.14 -0.16 0.78 0.00 0.00 0.00 178.15 178.86 1sqp h ASN 412 N 0.54 0.00 -0.18 1.72 4.21 -0.57 -0.35 115.58 120.94 1sqp h ASN 412 Ca 0.15 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.53 1sqp h ASN 412 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1sqp h ASN 412 CO -0.03 0.16 -0.36 0.00 -1.29 0.00 0.00 177.43 175.91 1sqp h ALA 413 N 1.84 0.29 -0.32 -0.83 0.00 -0.69 -2.16 119.26 117.39 1sqp h ALA 413 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1sqp h ALA 413 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1sqp h ALA 413 CO 0.02 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1sqp h ALA 414 N 0.59 1.30 -0.48 0.00 0.00 -0.80 -2.13 119.26 117.73 1sqp h ALA 414 Ca 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1sqp h ALA 414 Cb 0.96 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1sqp h ALA 414 CO 0.08 0.47 -0.10 0.87 0.00 0.00 0.00 179.25 180.57 1sqp h LYS 415 N 0.49 0.88 -0.33 0.00 1.57 -1.03 -1.77 116.57 116.37 1sqp h LYS 415 Ca 0.10 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1sqp h LYS 415 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1sqp h LYS 415 CO 0.02 0.94 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.34 1sqp h LYS 416 N 0.79 0.68 -0.10 3.15 3.64 -0.93 -2.67 116.57 121.13 1sqp h LYS 416 Ca 0.13 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1sqp h LYS 416 Cb 0.61 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1sqp h LYS 416 CO 0.04 0.89 -0.23 0.35 -2.27 0.00 0.00 179.45 178.23 1sqp h PHE 417 N 0.59 0.42 -0.53 1.91 3.57 -0.99 -2.70 116.94 119.20 1sqp h PHE 417 Ca 0.07 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1sqp h PHE 417 Cb 0.78 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1sqp h PHE 417 CO 0.04 0.84 0.35 0.28 -2.23 0.00 0.00 178.31 177.58 1sqp h VAL 418 N -0.13 1.13 -0.02 1.41 2.07 -1.34 -2.75 116.25 116.63 1sqp h VAL 418 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1sqp h VAL 418 Cb 0.83 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sqp h VAL 418 CO 0.05 0.13 -0.03 -1.54 0.02 0.00 0.00 177.57 176.20 1sqp n SER 419 N -4.73 1.54 -4.90 0.57 3.41 -1.01 -4.92 113.62 103.58 1sqp n SER 419 Ca 0.03 -1.46 -0.33 0.00 -0.26 0.00 0.00 58.87 56.85 1sqp n SER 419 Cb 0.03 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1sqp n SER 419 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sqp s GLY 420 N -2.06 2.17 -0.15 5.00 0.00 -1.02 -5.02 107.32 106.24 1sqp s GLY 420 Ca 0.36 -0.78 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1sqp s GLY 420 CO 0.35 -0.68 2.14 -2.13 0.00 0.00 0.00 173.10 172.78 1sqp n ARG 421 N 0.86 2.19 -1.08 2.90 0.63 -1.26 -4.87 116.66 116.03 1sqp n ARG 421 Ca -0.10 0.68 -0.30 0.00 -0.92 0.00 0.00 57.85 57.22 1sqp n ARG 421 Cb 0.52 -3.12 0.15 0.00 0.45 0.00 0.00 32.46 30.47 1sqp n ARG 421 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1sqp s LYS 422 N 5.72 1.02 -0.01 -0.14 -0.14 -1.26 -4.47 119.74 120.47 1sqp s LYS 422 Ca 0.98 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.50 1sqp s LYS 422 Cb -0.40 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1sqp s LYS 422 CO 0.39 -2.43 -0.01 -1.12 -0.76 0.00 0.00 175.35 171.42 1sqp s SER 423 N -3.24 0.17 -0.06 2.83 0.01 0.19 -2.61 113.70 111.00 1sqp s SER 423 Ca 0.64 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.86 1sqp s SER 423 Cb -0.19 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1sqp s SER 423 CO 0.58 -0.01 0.13 -0.32 0.41 0.00 0.00 173.24 174.03 1sqp s MET 424 N 0.16 0.07 0.10 12.44 1.75 -0.94 -0.40 119.30 132.48 1sqp s MET 424 Ca -0.01 0.36 0.10 0.00 -1.25 0.00 0.00 55.69 54.89 1sqp s MET 424 Cb -0.03 -0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.40 1sqp s MET 424 CO -0.00 -0.18 -0.23 0.00 -0.65 0.00 0.00 175.02 173.95 1sqp s ALA 425 N 1.27 2.48 -0.12 4.11 0.00 -0.93 -0.52 121.76 128.04 1sqp s ALA 425 Ca -0.08 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.24 1sqp s ALA 425 Cb -0.12 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.55 1sqp s ALA 425 CO -0.06 0.56 0.65 0.00 0.00 0.00 0.00 175.76 176.91 1sqp s ALA 426 N -1.03 -1.66 -0.14 0.00 0.00 -0.99 0.09 121.76 118.03 1sqp s ALA 426 Ca 0.15 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 1sqp s ALA 426 Cb -0.10 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1sqp s ALA 426 CO 0.07 -0.34 0.34 -1.54 0.00 0.00 0.00 175.76 174.29 1sqp s SER 427 N -0.63 -0.40 0.00 0.00 1.04 0.23 -1.87 113.70 112.07 1sqp s SER 427 Ca -0.07 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1sqp s SER 427 Cb -0.02 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1sqp s SER 427 CO 0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1sqp n GLY 428 N 3.81 0.14 3.57 7.32 0.00 -0.88 -1.24 105.19 117.90 1sqp n GLY 428 Ca -0.21 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1sqp n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sqp s ASN 429 N -4.00 6.25 0.00 1.61 3.84 -1.26 -0.82 114.94 120.56 1sqp s ASN 429 Ca 0.00 0.02 0.24 0.00 0.21 0.00 0.00 52.86 53.32 1sqp s ASN 429 Cb 0.00 -2.55 1.16 0.00 -0.55 0.00 0.00 41.25 39.31 1sqp s ASN 429 CO 0.00 -1.67 1.78 0.18 -2.79 0.00 0.00 177.10 174.60 1sqp n LEU 430 N 9.13 0.77 -0.33 3.21 4.77 -1.26 -4.44 117.00 128.85 1sqp n LEU 430 Ca 0.08 -0.30 0.18 0.00 -0.03 0.00 0.00 56.01 55.95 1sqp n LEU 430 Cb 0.49 -0.03 0.35 0.00 -2.33 0.00 0.00 43.42 41.90 1sqp n LEU 430 CO 0.71 0.15 0.83 0.61 -1.33 0.00 0.00 177.39 178.36 1sqp n GLY 431 N 1.00 -1.22 1.09 -0.72 0.00 -1.26 -0.32 105.19 103.76 1sqp n GLY 431 Ca 0.18 0.93 -0.03 0.00 0.00 0.00 0.00 46.02 47.10 1sqp n GLY 431 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sqp n HIS 432 N -5.42 0.93 -3.83 1.61 8.25 -1.26 -4.97 115.22 110.52 1sqp n HIS 432 Ca 0.26 -1.60 -0.36 0.00 -0.26 0.00 0.00 57.72 55.76 1sqp n HIS 432 Cb 0.86 -0.46 -0.11 0.00 1.12 0.00 0.00 29.99 31.40 1sqp n HIS 432 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1sqp s THR 433 N -3.26 4.68 0.23 1.59 2.01 0.56 -2.02 115.64 119.44 1sqp s THR 433 Ca 0.44 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1sqp s THR 433 Cb 0.40 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.81 1sqp s THR 433 CO -0.02 0.37 0.17 -0.81 -0.69 0.00 0.00 174.62 173.65 1sqp n PRO 434 N 4.41 -1.88 -0.81 4.92 -0.04 -1.26 -4.97 135.00 135.37 1sqp n PRO 434 Ca -0.16 -0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.04 1sqp n PRO 434 Cb 0.52 -0.30 0.01 0.00 -0.04 0.00 0.00 33.50 33.69 1sqp n PRO 434 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sqp n PHE 435 N -3.17 0.00 0.00 0.54 3.72 -1.26 -5.00 117.46 112.29 1sqp n PHE 435 Ca 0.03 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1sqp n PHE 435 Cb 0.10 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1sqp n PHE 435 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1sqp n ILE 436 N 0.10 0.00 0.00 4.37 5.41 -1.26 -4.48 119.36 123.50 1sqp n ILE 436 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1sqp n ILE 436 Cb 0.84 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 1sqp n ILE 436 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sqp n ASP 437 N 2.62 0.00 -1.99 4.38 -0.08 -1.26 -0.07 116.55 120.16 1sqp n ASP 437 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1sqp n ASP 437 Cb 0.00 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.62 1sqp n ASP 437 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1sqp n GLU 438 N -3.24 2.27 0.00 -0.67 1.02 -1.26 -5.25 120.64 113.52 1sqp n GLU 438 Ca 0.00 -3.14 0.10 0.00 -0.02 0.00 0.00 57.16 54.09 1sqp n GLU 438 Cb 0.00 -2.12 0.08 0.00 -0.02 0.00 0.00 31.44 29.38 1sqp n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59