#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq n ALA 2 N 0.00 1.05 -1.52 6.98 0.00 -1.26 -5.06 120.51 120.70 1sqq n ALA 2 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1sqq n ALA 2 Cb 0.00 -2.23 0.14 0.00 0.00 0.00 0.00 19.45 17.36 1sqq n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqq s THR 3 N -1.23 2.00 0.02 0.00 -4.23 -1.26 -4.94 115.64 106.00 1sqq s THR 3 Ca 0.63 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.92 1sqq s THR 3 Cb -0.51 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.43 1sqq s THR 3 CO 0.57 0.00 1.30 0.22 -0.54 0.00 0.00 174.62 176.17 1sqq h TYR 4 N -1.53 0.36 -0.45 3.99 3.20 -1.98 -1.64 116.97 118.92 1sqq h TYR 4 Ca -0.51 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.34 1sqq h TYR 4 Cb 1.33 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.45 1sqq h TYR 4 CO 0.26 0.74 -0.09 0.00 -1.64 0.00 0.00 178.16 177.43 1sqq h ALA 5 N 0.56 0.32 -1.00 1.82 0.00 -2.00 -0.36 119.26 118.61 1sqq h ALA 5 Ca 0.01 0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.35 1sqq h ALA 5 Cb 0.69 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1sqq h ALA 5 CO 0.03 -0.44 0.67 1.96 0.00 0.00 0.00 179.25 181.47 1sqq h GLN 6 N 0.02 0.31 0.00 0.00 4.20 -1.92 -1.52 115.11 116.21 1sqq h GLN 6 Ca 0.22 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.80 1sqq h GLN 6 Cb 0.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1sqq h GLN 6 CO -0.45 0.21 -0.77 0.00 -0.67 0.00 0.00 178.83 177.15 1sqq h ALA 7 N 1.59 0.67 -0.15 3.87 0.00 -0.11 -3.09 119.26 122.04 1sqq h ALA 7 Ca 0.54 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1sqq h ALA 7 Cb 1.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1sqq h ALA 7 CO -0.20 0.65 -0.55 -0.07 0.00 0.00 0.00 179.25 179.08 1sqq h LEU 8 N 0.00 0.51 -1.40 0.00 3.38 -0.22 -2.83 115.31 114.75 1sqq h LEU 8 Ca -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1sqq h LEU 8 Cb 1.40 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1sqq h LEU 8 CO 0.05 0.96 -0.03 1.56 0.09 0.00 0.00 178.44 181.07 1sqq h GLN 9 N 0.35 0.00 -0.04 1.13 4.20 -1.43 -3.28 115.11 116.04 1sqq h GLN 9 Ca 0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1sqq h GLN 9 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1sqq h GLN 9 CO 0.10 0.03 -0.48 0.66 -0.67 0.00 0.00 178.83 178.47 1sqq h SER 10 N 0.00 0.10 -2.83 1.46 4.64 -1.45 -3.44 113.55 112.03 1sqq h SER 10 Ca -0.00 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.73 1sqq h SER 10 Cb 0.55 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sqq h SER 10 CO 0.00 0.57 0.91 -0.69 -0.87 0.00 0.00 176.83 176.75 1sqq s VAL 11 N -3.96 3.67 0.57 0.95 1.01 -1.24 -4.96 120.40 116.45 1sqq s VAL 11 Ca -0.03 1.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.76 1sqq s VAL 11 Cb 0.13 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1sqq s VAL 11 CO 0.76 -0.03 0.97 -2.65 0.00 0.00 0.00 175.10 174.15 1sqq n PRO 12 N 5.86 0.99 -1.65 2.72 -0.02 -1.26 -4.90 135.00 136.74 1sqq n PRO 12 Ca 0.14 0.38 -0.50 0.00 -2.02 0.00 0.00 63.50 61.50 1sqq n PRO 12 Cb 0.43 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1sqq n PRO 12 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sqq n GLU 13 N -0.80 1.69 -2.08 -0.52 2.13 -1.26 -4.94 120.64 114.86 1sqq n GLU 13 Ca 0.13 0.61 -0.42 0.00 0.66 0.00 0.00 57.16 58.14 1sqq n GLU 13 Cb 0.46 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.80 1sqq n GLU 13 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1sqq s THR 14 N 1.83 2.94 -0.26 6.31 2.01 -1.26 -4.69 115.64 122.52 1sqq s THR 14 Ca 0.86 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1sqq s THR 14 Cb -0.83 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.25 1sqq s THR 14 CO 0.48 0.09 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.34 1sqq s GLN 15 N 0.42 2.72 -0.17 4.92 -0.21 0.77 -4.97 119.66 123.13 1sqq s GLN 15 Ca 0.62 -1.06 -0.06 0.00 0.02 0.00 0.00 55.36 54.89 1sqq s GLN 15 Cb -0.40 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1sqq s GLN 15 CO 0.36 -0.45 0.02 0.08 -2.12 0.00 0.00 175.29 173.18 1sqq s VAL 16 N 1.29 4.43 0.14 1.09 1.01 -1.26 -2.13 120.40 124.97 1sqq s VAL 16 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1sqq s VAL 16 Cb -0.17 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1sqq s VAL 16 CO -0.04 0.47 -0.10 -0.94 0.00 0.00 0.00 175.10 174.50 1sqq s SER 17 N 0.36 1.74 0.02 3.32 1.04 -0.52 -5.02 113.70 114.65 1sqq s SER 17 Ca 0.00 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.47 1sqq s SER 17 Cb -0.13 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1sqq s SER 17 CO 0.01 -0.34 -0.13 -1.58 0.98 0.00 0.00 173.24 172.18 1sqq s GLN 18 N -3.74 2.32 0.63 4.02 0.74 -1.26 0.72 119.66 123.08 1sqq s GLN 18 Ca 0.16 -0.85 -0.13 0.00 0.05 0.00 0.00 55.36 54.60 1sqq s GLN 18 Cb 0.03 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.77 1sqq s GLN 18 CO 0.00 0.57 1.04 -0.51 -0.55 0.00 0.00 175.29 175.85 1sqq s LEU 19 N -1.37 3.33 -1.38 3.68 1.02 -0.11 -4.98 118.68 118.86 1sqq s LEU 19 Ca 0.15 1.64 -0.15 0.00 0.02 0.00 0.00 54.13 55.80 1sqq s LEU 19 Cb -0.11 -4.51 0.01 0.00 0.02 0.00 0.00 46.19 41.61 1sqq s LEU 19 CO 0.06 -1.16 2.23 0.47 0.02 0.00 0.00 176.35 177.97 1sqq n ASP 20 N -2.53 3.93 0.00 2.29 8.00 -1.26 -2.10 116.55 124.88 1sqq n ASP 20 Ca 0.08 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.77 1sqq n ASP 20 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1sqq n ASP 20 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sqq n ASN 21 N 6.14 0.00 0.00 -2.24 5.15 -1.26 -4.89 115.26 118.16 1sqq n ASN 21 Ca 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 1sqq n ASN 21 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1sqq n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sqq n GLY 22 N 0.00 0.59 3.58 8.20 0.00 -0.89 -4.08 105.19 112.58 1sqq n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sqq n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sqq n LEU 23 N 0.00 2.96 -4.76 0.99 0.00 -1.11 -3.56 117.00 111.51 1sqq n LEU 23 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 56.01 55.70 1sqq n LEU 23 Cb 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 43.42 41.85 1sqq n LEU 23 CO 0.00 -0.86 0.85 -0.13 0.00 0.00 0.00 177.39 177.25 1sqq s ARG 24 N 6.73 4.49 -0.13 1.96 0.52 -1.18 -0.94 118.95 130.40 1sqq s ARG 24 Ca 1.02 1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 58.11 1sqq s ARG 24 Cb -0.36 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.07 1sqq s ARG 24 CO 0.35 0.04 0.05 0.54 0.02 0.00 0.00 175.30 176.30 1sqq s VAL 25 N -1.20 0.20 0.00 3.52 0.11 0.22 -1.85 120.40 121.41 1sqq s VAL 25 Ca 0.47 -0.12 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1sqq s VAL 25 Cb -0.34 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1sqq s VAL 25 CO 0.44 -0.06 0.05 0.00 -3.33 0.00 0.00 175.10 172.19 1sqq s ALA 26 N 2.02 -0.10 -0.02 1.54 0.00 0.23 -1.44 121.76 123.99 1sqq s ALA 26 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1sqq s ALA 26 Cb -0.15 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1sqq s ALA 26 CO -0.07 -0.14 -0.02 -1.54 0.00 0.00 0.00 175.76 173.99 1sqq s SER 27 N -1.06 0.49 -0.27 0.00 1.04 -0.91 -0.39 113.70 112.60 1sqq s SER 27 Ca -0.12 -0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1sqq s SER 27 Cb -0.07 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1sqq s SER 27 CO 0.00 -0.04 0.09 -0.70 0.98 0.00 0.00 173.24 173.56 1sqq s GLU 28 N 0.63 3.48 0.05 4.02 2.12 -1.11 -0.16 118.70 127.73 1sqq s GLU 28 Ca -0.07 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 54.62 1sqq s GLU 28 Cb -0.10 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1sqq s GLU 28 CO -0.01 -0.28 0.27 1.14 -0.54 0.00 0.00 175.26 175.84 1sqq s GLN 29 N 1.59 3.54 0.37 4.30 -2.07 -1.26 -2.03 119.66 124.09 1sqq s GLN 29 Ca 0.05 -0.21 -0.09 0.00 -1.82 0.00 0.00 55.36 53.29 1sqq s GLN 29 Cb -0.16 -3.01 0.03 0.00 -1.09 0.00 0.00 33.01 28.78 1sqq s GLN 29 CO 0.04 0.59 0.64 -1.54 -1.32 0.00 0.00 175.29 173.70 1sqq s SER 30 N -2.14 0.46 0.02 12.60 1.04 0.93 -4.80 113.70 121.81 1sqq s SER 30 Ca 0.33 -1.32 0.26 0.00 0.48 0.00 0.00 55.95 55.70 1sqq s SER 30 Cb -0.13 0.77 0.67 0.00 0.10 0.00 0.00 66.02 67.43 1sqq s SER 30 CO 0.22 -1.51 1.54 -1.20 0.98 0.00 0.00 173.24 173.26 1sqq n SER 31 N -1.43 0.41 -4.63 7.02 7.64 -1.26 -3.70 113.62 117.67 1sqq n SER 31 Ca -0.04 -0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.43 1sqq n SER 31 Cb 0.61 0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.87 1sqq n SER 31 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1sqq n GLN 32 N -1.59 1.32 -0.04 1.43 -0.06 -1.26 -4.86 117.38 112.32 1sqq n GLN 32 Ca 0.06 0.48 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 1sqq n GLN 32 Cb 0.35 -2.13 0.02 0.00 -4.06 0.00 0.00 30.24 24.42 1sqq n GLN 32 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1sqq n PRO 33 N -0.18 1.18 -3.63 3.69 -0.02 -1.26 -3.14 135.00 131.64 1sqq n PRO 33 Ca 0.10 -0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.26 1sqq n PRO 33 Cb 0.42 -1.37 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 1sqq n PRO 33 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1sqq s THR 34 N -1.38 0.01 0.25 3.45 2.01 -1.26 -2.08 115.64 116.63 1sqq s THR 34 Ca 0.03 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1sqq s THR 34 Cb 0.02 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1sqq s THR 34 CO 0.01 -0.03 0.20 0.00 -0.69 0.00 0.00 174.62 174.11 1sqq s THR 36 N -3.89 0.65 -0.02 0.00 2.01 -0.40 -2.38 115.64 111.61 1sqq s THR 36 Ca 0.39 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1sqq s THR 36 Cb 0.05 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1sqq s THR 36 CO 0.17 0.25 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.41 1sqq s VAL 37 N 0.90 1.99 0.00 3.82 1.01 -0.72 -0.37 120.40 127.03 1sqq s VAL 37 Ca -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1sqq s VAL 37 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1sqq s VAL 37 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1sqq n GLY 38 N 2.44 -0.61 3.24 4.51 0.00 -0.57 0.71 105.19 114.90 1sqq n GLY 38 Ca -0.16 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1sqq n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqq s VAL 39 N -0.58 2.77 -0.22 1.61 1.01 -0.46 -0.76 120.40 123.77 1sqq s VAL 39 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1sqq s VAL 39 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1sqq s VAL 39 CO 0.00 0.49 0.06 0.26 0.00 0.00 0.00 175.10 175.90 1sqq s TRP 40 N 1.21 3.12 -0.12 5.22 0.51 0.45 -1.45 118.94 127.89 1sqq s TRP 40 Ca 0.02 -0.25 0.00 0.00 -2.12 0.00 0.00 56.10 53.75 1sqq s TRP 40 Cb -0.14 -2.16 -0.02 0.00 -0.81 0.00 0.00 33.47 30.34 1sqq s TRP 40 CO -0.05 -0.17 -0.13 0.42 -0.51 0.00 0.00 176.95 176.51 1sqq s ILE 41 N 1.10 3.05 -0.14 2.03 1.01 0.80 -1.04 121.20 128.01 1sqq s ILE 41 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1sqq s ILE 41 Cb -0.14 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 1sqq s ILE 41 CO 0.03 0.54 1.50 0.47 0.00 0.00 0.00 174.94 177.48 1sqq n ASP 42 N 3.33 1.92 -3.94 3.58 10.43 0.44 -1.69 116.55 130.62 1sqq n ASP 42 Ca -0.18 -1.91 -0.10 0.00 2.57 0.00 0.00 54.79 55.18 1sqq n ASP 42 Cb 0.53 -0.55 -0.10 0.00 1.84 0.00 0.00 41.12 42.84 1sqq n ASP 42 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sqq s ALA 43 N 2.87 -0.05 0.00 2.24 0.00 -1.25 -4.94 121.76 120.63 1sqq s ALA 43 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1sqq s ALA 43 Cb 0.09 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1sqq s ALA 43 CO -0.01 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1sqq n GLY 44 N 1.21 2.54 0.00 0.00 0.00 -1.26 -0.87 105.19 106.80 1sqq n GLY 44 Ca -0.21 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1sqq n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sqq n SER 45 N 0.00 0.00 0.12 1.61 2.88 -0.94 -4.70 113.62 112.59 1sqq n SER 45 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sqq n SER 45 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sqq n SER 45 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1sqq n ARG 46 N 0.00 0.01 -0.04 -1.46 0.63 -0.33 -1.13 116.66 114.34 1sqq n ARG 46 Ca 0.00 0.35 0.01 0.00 -0.92 0.00 0.00 57.85 57.30 1sqq n ARG 46 Cb 0.00 -1.84 -0.13 0.00 0.45 0.00 0.00 32.46 30.94 1sqq n ARG 46 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1sqq n TYR 47 N -1.42 0.00 -2.51 -0.14 4.01 -1.26 -4.84 117.16 110.99 1sqq n TYR 47 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1sqq n TYR 47 Cb 0.59 -0.56 0.04 0.00 -0.31 0.00 0.00 39.34 39.10 1sqq n TYR 47 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1sqq s GLU 48 N -2.82 2.62 0.00 -0.72 -1.05 -0.28 -5.09 118.70 111.35 1sqq s GLU 48 Ca -0.07 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 1sqq s GLU 48 Cb 0.08 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 1sqq s GLU 48 CO 0.68 -0.79 0.00 0.43 0.95 0.00 0.00 175.26 176.53 1sqq n SER 49 N -2.52 0.00 0.16 0.83 7.64 -1.26 -4.82 113.62 113.65 1sqq n SER 49 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1sqq n SER 49 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1sqq n SER 49 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sqq n GLU 50 N 0.00 0.00 -0.81 1.43 1.02 -1.26 -4.84 120.64 116.18 1sqq n GLU 50 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1sqq n GLU 50 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1sqq n GLU 50 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1sqq n LYS 51 N -3.49 0.00 -0.52 3.49 4.81 -1.26 -2.44 118.16 118.75 1sqq n LYS 51 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sqq n LYS 51 Cb 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.34 1sqq n LYS 51 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sqq n ASN 52 N 1.75 0.00 -4.66 3.14 2.85 -1.26 -5.03 115.26 112.05 1sqq n ASN 52 Ca 0.14 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.22 1sqq n ASN 52 Cb -0.02 -0.10 0.03 0.00 1.24 0.00 0.00 39.78 40.93 1sqq n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1sqq n ASN 53 N 0.00 1.64 0.00 1.20 4.05 -1.02 -2.87 115.26 118.25 1sqq n ASN 53 Ca 0.00 0.95 0.00 0.00 0.45 0.00 0.00 54.58 55.98 1sqq n ASN 53 Cb 0.00 -1.44 0.00 0.00 1.23 0.00 0.00 39.78 39.57 1sqq n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sqq n GLY 54 N 1.06 1.38 0.05 8.20 0.00 -1.26 -4.68 105.19 109.95 1sqq n GLY 54 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1sqq n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq h ALA 55 N 0.00 -0.01 -0.65 4.61 0.00 -1.79 -0.91 119.26 120.51 1sqq h ALA 55 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1sqq h ALA 55 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sqq h ALA 55 CO 0.00 -0.31 0.12 0.78 0.00 0.00 0.00 179.25 179.85 1sqq h GLY 56 N -0.40 1.14 -0.15 0.00 0.00 -1.84 0.28 103.07 102.10 1sqq h GLY 56 Ca -0.00 -0.74 0.13 0.00 0.00 0.00 0.00 47.33 46.72 1sqq h GLY 56 CO 0.00 0.69 -0.04 -1.82 0.00 0.00 0.00 176.54 175.38 1sqq h TYR 57 N 0.98 -0.11 -0.37 5.60 3.20 -1.74 0.27 116.97 124.79 1sqq h TYR 57 Ca 0.20 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 1sqq h TYR 57 Cb 0.41 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1sqq h TYR 57 CO 0.03 -0.20 -0.16 0.35 -1.64 0.00 0.00 178.16 176.54 1sqq h PHE 58 N 0.08 0.75 -0.02 -3.82 3.57 0.42 -2.10 116.94 115.82 1sqq h PHE 58 Ca 0.33 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1sqq h PHE 58 Cb 0.54 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1sqq h PHE 58 CO -0.41 0.80 0.01 0.28 -2.23 0.00 0.00 178.31 176.76 1sqq h VAL 59 N 0.61 1.15 -0.87 1.41 2.07 0.05 -2.27 116.25 118.40 1sqq h VAL 59 Ca 0.10 -0.44 0.20 0.00 0.82 0.00 0.00 66.70 67.38 1sqq h VAL 59 Cb 0.62 1.41 -0.12 0.00 -1.52 0.00 0.00 31.29 31.68 1sqq h VAL 59 CO 0.04 0.12 0.38 -0.08 0.02 0.00 0.00 177.57 178.05 1sqq h GLU 60 N -0.15 0.41 -0.51 1.57 4.81 -0.66 0.72 114.58 120.77 1sqq h GLU 60 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1sqq h GLU 60 Cb 0.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1sqq h GLU 60 CO -0.00 0.27 0.33 0.45 -0.73 0.00 0.00 179.01 179.33 1sqq h HIS 61 N 0.42 0.64 0.00 0.92 3.86 -1.22 -3.22 115.15 116.55 1sqq h HIS 61 Ca 0.53 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1sqq h HIS 61 Cb 0.97 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1sqq h HIS 61 CO -0.14 0.41 -0.87 1.28 0.86 0.00 0.00 177.93 179.47 1sqq n LEU 62 N -4.45 0.75 0.31 2.43 4.77 0.22 -4.55 117.00 116.46 1sqq n LEU 62 Ca 0.04 0.23 0.19 0.00 -0.03 0.00 0.00 56.01 56.44 1sqq n LEU 62 Cb 0.06 -0.11 0.96 0.00 -2.33 0.00 0.00 43.42 41.99 1sqq n LEU 62 CO 0.36 -0.10 1.09 0.00 -1.33 0.00 0.00 177.39 177.41 1sqq h ALA 63 N 2.29 1.07 -0.04 -1.18 0.00 -0.57 -2.04 119.26 118.78 1sqq h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sqq h ALA 63 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sqq h ALA 63 CO 0.00 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.47 1sqq n PHE 64 N -3.21 0.05 0.41 0.00 0.99 -1.26 -4.63 117.46 109.82 1sqq n PHE 64 Ca -0.02 -0.44 0.08 0.00 -0.00 0.00 0.00 57.45 57.07 1sqq n PHE 64 Cb 0.17 -0.04 -0.11 0.00 -1.00 0.00 0.00 39.48 38.51 1sqq n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1sqq n LYS 65 N -0.32 1.18 0.00 -1.08 4.76 -0.77 -4.65 118.16 117.28 1sqq n LYS 65 Ca 0.01 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1sqq n LYS 65 Cb 0.24 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1sqq n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sqq n GLY 66 N 1.46 2.57 3.76 0.72 0.00 -1.25 -3.67 105.19 108.78 1sqq n GLY 66 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1sqq n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqq s THR 67 N -2.00 3.38 0.31 2.61 -4.23 -0.44 -1.88 115.64 113.38 1sqq s THR 67 Ca 0.00 -1.62 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1sqq s THR 67 Cb 0.00 -3.05 0.31 0.00 1.34 0.00 0.00 72.50 71.10 1sqq s THR 67 CO 0.00 -0.23 1.67 0.11 -0.54 0.00 0.00 174.62 175.63 1sqq h LYS 68 N 1.53 0.31 0.00 3.99 1.57 -1.84 -2.58 116.57 119.55 1sqq h LYS 68 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1sqq h LYS 68 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1sqq h LYS 68 CO 0.61 0.20 -0.53 -0.91 -0.57 0.00 0.00 179.45 178.26 1sqq h ASN 69 N 0.32 0.00 -2.43 0.86 4.21 -1.96 -3.40 115.58 113.17 1sqq h ASN 69 Ca 0.63 -0.01 -0.59 0.00 1.21 0.00 0.00 56.30 57.53 1sqq h ASN 69 Cb 1.31 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 38.12 1sqq h ASN 69 CO -0.60 0.01 -0.89 0.54 -1.29 0.00 0.00 177.43 175.20 1sqq n ARG 70 N -2.80 0.83 -2.82 0.81 1.74 -1.00 -5.08 116.66 108.33 1sqq n ARG 70 Ca 0.02 -3.59 -0.38 0.00 -0.77 0.00 0.00 57.85 53.13 1sqq n ARG 70 Cb 0.53 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1sqq n ARG 70 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqq s PRO 71 N -0.71 4.66 6.70 5.56 0.04 -1.04 -1.33 135.00 148.87 1sqq s PRO 71 Ca 0.32 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1sqq s PRO 71 Cb 0.06 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1sqq s PRO 71 CO -0.16 0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1sqq n GLY 72 N 1.06 2.71 0.60 0.56 0.00 -1.24 -3.20 105.19 105.68 1sqq n GLY 72 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1sqq n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sqq n ASN 73 N 3.77 1.76 -0.35 1.61 0.23 -1.26 -3.82 115.26 117.19 1sqq n ASN 73 Ca 0.00 -1.96 0.09 0.00 -0.53 0.00 0.00 54.58 52.18 1sqq n ASN 73 Cb 0.00 -0.21 0.19 0.00 -2.08 0.00 0.00 39.78 37.68 1sqq n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sqq h ALA 74 N 3.66 0.83 0.40 -2.53 0.00 -1.79 -0.41 119.26 119.43 1sqq h ALA 74 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1sqq h ALA 74 Cb 0.45 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sqq h ALA 74 CO 0.00 -0.45 -0.19 1.25 0.00 0.00 0.00 179.25 179.86 1sqq h LEU 75 N 0.00 -0.46 -0.90 0.00 5.85 -1.74 -2.39 115.31 115.68 1sqq h LEU 75 Ca 0.52 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.29 1sqq h LEU 75 Cb 0.90 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.92 1sqq h LEU 75 CO -0.99 -0.23 -0.49 -0.08 -0.34 0.00 0.00 178.44 176.32 1sqq h GLU 76 N -0.67 -0.06 -0.37 1.25 4.81 -1.74 -0.86 114.58 116.94 1sqq h GLU 76 Ca -0.06 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1sqq h GLU 76 Cb 0.49 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1sqq h GLU 76 CO 0.09 -0.04 0.26 0.87 -0.73 0.00 0.00 179.01 179.47 1sqq h LYS 77 N -0.06 0.08 0.02 1.92 1.57 -0.89 -1.02 116.57 118.19 1sqq h LYS 77 Ca 0.23 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1sqq h LYS 77 Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1sqq h LYS 77 CO -0.90 0.05 -0.01 1.49 -0.57 0.00 0.00 179.45 179.52 1sqq h GLU 78 N 0.08 -0.02 -0.25 3.15 4.81 -0.67 -2.54 114.58 119.13 1sqq h GLU 78 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1sqq h GLU 78 Cb 0.60 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 1sqq h GLU 78 CO -0.02 0.74 0.02 0.28 -0.73 0.00 0.00 179.01 179.30 1sqq h VAL 79 N -0.84 0.84 -0.76 0.32 2.07 -0.74 -3.02 116.25 114.12 1sqq h VAL 79 Ca -0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1sqq h VAL 79 Cb 0.77 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1sqq h VAL 79 CO 0.00 0.02 0.42 -0.33 0.02 0.00 0.00 177.57 177.71 1sqq h GLU 80 N 0.10 1.06 0.00 1.57 5.08 -1.31 -2.21 114.58 118.86 1sqq h GLU 80 Ca 0.12 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sqq h GLU 80 Cb 0.14 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1sqq h GLU 80 CO -0.18 0.78 0.00 0.43 -1.00 0.00 0.00 179.01 179.04 1sqq n SER 81 N -4.45 0.45 -0.79 1.42 7.64 -0.96 -0.70 113.62 116.22 1sqq n SER 81 Ca 0.07 0.59 0.07 0.00 1.01 0.00 0.00 58.87 60.61 1sqq n SER 81 Cb 0.09 -0.69 0.18 0.00 -1.01 0.00 0.00 64.21 62.77 1sqq n SER 81 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1sqq n MET 82 N -1.97 2.51 -1.04 1.43 0.00 -1.13 -4.97 117.12 111.97 1sqq n MET 82 Ca 0.03 -2.07 -0.01 0.00 0.00 0.00 0.00 57.70 55.65 1sqq n MET 82 Cb 0.25 -1.34 -0.01 0.00 0.00 0.00 0.00 33.22 32.13 1sqq n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sqq n GLY 83 N 0.83 0.45 3.80 3.17 0.00 0.13 -4.77 105.19 108.79 1sqq n GLY 83 Ca 0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1sqq n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq s ALA 84 N -1.80 2.80 -0.13 4.61 0.00 -0.85 -4.92 121.76 121.46 1sqq s ALA 84 Ca 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1sqq s ALA 84 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1sqq s ALA 84 CO 0.00 -0.58 0.06 -1.01 0.00 0.00 0.00 175.76 174.23 1sqq s HIS 85 N -2.20 3.32 -0.09 0.00 0.09 -0.13 -4.39 115.29 111.88 1sqq s HIS 85 Ca 0.66 0.25 0.03 0.00 -0.00 0.00 0.00 55.06 56.00 1sqq s HIS 85 Cb -0.17 -1.92 -0.01 0.00 -0.00 0.00 0.00 32.58 30.48 1sqq s HIS 85 CO 0.29 0.45 -0.19 -1.17 -0.00 0.00 0.00 174.74 174.11 1sqq s LEU 86 N -0.53 2.37 0.16 0.89 2.96 -1.26 -0.84 118.68 122.43 1sqq s LEU 86 Ca 0.10 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 1sqq s LEU 86 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1sqq s LEU 86 CO 0.02 0.20 0.36 0.21 -1.32 0.00 0.00 176.35 175.83 1sqq s ASN 87 N 0.10 -0.08 0.02 3.68 3.84 -0.15 -5.02 114.94 117.33 1sqq s ASN 87 Ca -0.09 -0.64 -0.21 0.00 0.21 0.00 0.00 52.86 52.13 1sqq s ASN 87 Cb -0.15 0.47 0.04 0.00 -0.55 0.00 0.00 41.25 41.06 1sqq s ASN 87 CO 0.06 -0.91 0.46 0.00 -2.79 0.00 0.00 177.10 173.91 1sqq s ALA 88 N -3.90 -1.16 0.04 1.71 0.00 -1.26 -0.55 121.76 116.64 1sqq s ALA 88 Ca 0.11 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1sqq s ALA 88 Cb 0.02 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1sqq s ALA 88 CO -0.04 -0.41 -0.03 1.52 0.00 0.00 0.00 175.76 176.80 1sqq s TYR 89 N -2.00 0.44 -0.06 0.00 1.13 -0.67 -5.00 117.35 111.19 1sqq s TYR 89 Ca -0.08 -0.91 0.02 0.00 -1.41 0.00 0.00 57.07 54.69 1sqq s TYR 89 Cb -0.02 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.53 1sqq s TYR 89 CO 0.01 -0.33 -0.11 -1.12 -2.51 0.00 0.00 175.55 171.50 1sqq s SER 90 N -2.51 1.58 0.30 -0.18 0.01 -1.26 -0.48 113.70 111.16 1sqq s SER 90 Ca 0.01 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1sqq s SER 90 Cb 0.03 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.57 1sqq s SER 90 CO -0.07 0.02 0.25 0.35 0.41 0.00 0.00 173.24 174.20 1sqq n THR 91 N 3.81 0.00 0.25 1.44 -2.24 0.60 -5.00 114.28 113.14 1sqq n THR 91 Ca -0.23 -1.15 0.17 0.00 -2.27 0.00 0.00 64.05 60.57 1sqq n THR 91 Cb 0.52 -0.32 0.91 0.00 -2.10 0.00 0.00 70.33 69.34 1sqq n THR 91 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1sqq h ARG 92 N 0.00 0.00 0.00 -0.78 3.08 -1.94 -3.29 114.38 111.45 1sqq h ARG 92 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1sqq h ARG 92 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1sqq h ARG 92 CO 0.28 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.27 1sqq n GLU 93 N -2.67 1.91 -3.65 0.04 2.13 -1.26 -1.18 120.64 115.95 1sqq n GLU 93 Ca -0.02 -0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.71 1sqq n GLU 93 Cb 0.06 -0.20 -0.07 0.00 0.27 0.00 0.00 31.44 31.50 1sqq n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1sqq s HIS 94 N -0.28 -1.04 -0.00 4.31 3.76 -1.06 -3.90 115.29 117.09 1sqq s HIS 94 Ca 0.00 2.05 0.08 0.00 -0.15 0.00 0.00 55.06 57.04 1sqq s HIS 94 Cb 0.00 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.27 1sqq s HIS 94 CO 0.00 -0.52 -0.25 0.99 -0.85 0.00 0.00 174.74 174.11 1sqq s THR 95 N 1.73 2.15 -0.01 1.30 2.01 -0.05 -0.29 115.64 122.47 1sqq s THR 95 Ca -0.10 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 60.77 1sqq s THR 95 Cb -0.06 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.67 1sqq s THR 95 CO -0.19 0.52 -0.07 0.00 -0.69 0.00 0.00 174.62 174.19 1sqq s ALA 96 N -0.68 0.66 -0.11 7.40 0.00 0.37 -0.14 121.76 129.26 1sqq s ALA 96 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1sqq s ALA 96 Cb -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1sqq s ALA 96 CO 0.00 0.13 -0.16 0.71 0.00 0.00 0.00 175.76 176.44 1sqq s TYR 97 N 0.03 2.05 0.01 0.00 1.51 -0.53 -1.67 117.35 118.76 1sqq s TYR 97 Ca -0.00 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 1sqq s TYR 97 Cb -0.05 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1sqq s TYR 97 CO -0.00 -0.49 -0.03 1.52 -1.11 0.00 0.00 175.55 175.44 1sqq s TYR 98 N 0.94 0.27 -0.17 2.71 -0.85 0.29 -1.36 117.35 119.18 1sqq s TYR 98 Ca -0.07 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.15 1sqq s TYR 98 Cb -0.15 -0.18 -0.02 0.00 0.38 0.00 0.00 41.96 41.99 1sqq s TYR 98 CO -0.01 -0.09 -0.05 0.42 -1.52 0.00 0.00 175.55 174.30 1sqq s ILE 99 N -0.81 3.62 -0.23 -3.49 1.01 0.22 -0.98 121.20 120.55 1sqq s ILE 99 Ca -0.08 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 1sqq s ILE 99 Cb -0.06 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1sqq s ILE 99 CO -0.00 0.47 0.56 -0.54 0.00 0.00 0.00 174.94 175.43 1sqq s LYS 100 N 0.75 4.13 0.05 2.79 1.02 -0.02 -1.76 119.74 126.71 1sqq s LYS 100 Ca -0.02 0.45 -0.04 0.00 0.02 0.00 0.00 55.97 56.38 1sqq s LYS 100 Cb -0.15 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 1sqq s LYS 100 CO 0.02 -0.29 0.05 0.00 -0.92 0.00 0.00 175.35 174.21 1sqq s ALA 101 N 2.11 0.18 0.37 5.17 0.00 -1.00 -0.96 121.76 127.63 1sqq s ALA 101 Ca 0.24 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1sqq s ALA 101 Cb -0.16 0.31 -0.15 0.00 0.00 0.00 0.00 23.12 23.13 1sqq s ALA 101 CO 0.09 -0.38 0.38 1.28 0.00 0.00 0.00 175.76 177.13 1sqq n LEU 102 N 0.32 -1.30 0.11 0.00 4.32 -1.26 -0.29 117.00 118.91 1sqq n LEU 102 Ca -0.16 0.92 -0.02 0.00 -0.02 0.00 0.00 56.01 56.72 1sqq n LEU 102 Cb 0.60 -1.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.48 1sqq n LEU 102 CO 0.25 -3.37 0.38 0.28 -1.22 0.00 0.00 177.39 173.71 1sqq h SER 103 N 0.68 0.00 0.14 -1.43 0.02 -1.72 -2.74 113.55 108.51 1sqq h SER 103 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1sqq h SER 103 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1sqq h SER 103 CO 0.51 0.73 0.00 0.07 -1.14 0.00 0.00 176.83 176.99 1sqq h LYS 104 N 0.00 0.00 -0.42 3.45 2.10 -1.88 -2.72 116.57 117.09 1sqq h LYS 104 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1sqq h LYS 104 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1sqq h LYS 104 CO 0.09 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.29 1sqq n ASP 105 N -2.31 3.54 -0.02 7.07 8.00 -1.03 -4.53 116.55 127.27 1sqq n ASP 105 Ca -0.01 -2.00 0.08 0.00 0.71 0.00 0.00 54.79 53.57 1sqq n ASP 105 Cb 0.07 -0.27 0.47 0.00 -0.02 0.00 0.00 41.12 41.37 1sqq n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1sqq h LEU 106 N 4.50 0.39 0.02 0.64 5.85 -1.58 -1.43 115.31 123.69 1sqq h LEU 106 Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1sqq h LEU 106 Cb 1.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1sqq h LEU 106 CO 0.00 0.27 -0.47 -0.65 -0.34 0.00 0.00 178.44 177.24 1sqq h PRO 107 N 0.45 -0.61 0.00 5.25 0.11 -1.86 -2.60 132.00 132.75 1sqq h PRO 107 Ca 0.19 0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 1sqq h PRO 107 Cb 0.20 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1sqq h PRO 107 CO -0.05 -0.41 -0.54 -0.22 -0.21 0.00 0.00 178.00 176.57 1sqq h LYS 108 N -0.63 0.00 0.67 1.05 1.63 -1.77 -2.00 116.57 115.51 1sqq h LYS 108 Ca 0.03 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1sqq h LYS 108 Cb 0.69 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1sqq h LYS 108 CO -0.33 0.54 -0.32 0.00 -3.45 0.00 0.00 179.45 175.89 1sqq h ALA 109 N 1.46 -0.90 -0.53 5.00 0.00 -1.23 0.20 119.26 123.25 1sqq h ALA 109 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sqq h ALA 109 Cb 0.99 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1sqq h ALA 109 CO 0.07 -0.97 0.35 0.28 0.00 0.00 0.00 179.25 178.98 1sqq h VAL 110 N -0.97 1.14 -0.51 0.00 2.07 -1.37 -1.10 116.25 115.51 1sqq h VAL 110 Ca -0.09 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1sqq h VAL 110 Cb 0.71 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1sqq h VAL 110 CO 0.15 0.14 -0.00 -0.08 0.02 0.00 0.00 177.57 177.80 1sqq h GLU 111 N 0.72 0.11 -0.09 1.57 4.81 -1.08 0.16 114.58 120.78 1sqq h GLU 111 Ca 0.19 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1sqq h GLU 111 Cb -0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1sqq h GLU 111 CO -0.04 0.07 -0.34 -0.07 -0.73 0.00 0.00 179.01 177.91 1sqq h LEU 112 N 0.11 0.19 -0.11 1.64 3.38 0.36 -1.93 115.31 118.95 1sqq h LEU 112 Ca 0.26 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1sqq h LEU 112 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sqq h LEU 112 CO -0.43 0.52 -0.36 -0.07 0.09 0.00 0.00 178.44 178.19 1sqq h LEU 113 N 0.16 0.51 -0.77 1.67 3.38 0.12 -0.37 115.31 120.01 1sqq h LEU 113 Ca 0.02 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.49 1sqq h LEU 113 Cb 0.68 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 1sqq h LEU 113 CO 0.05 1.03 -0.48 0.00 0.09 0.00 0.00 178.44 179.13 1sqq h ALA 114 N 0.50 -0.32 -0.52 1.53 0.00 -0.60 0.18 119.26 120.02 1sqq h ALA 114 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sqq h ALA 114 Cb 0.98 1.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1sqq h ALA 114 CO 0.08 -0.84 0.34 0.22 0.00 0.00 0.00 179.25 179.05 1sqq h ASP 115 N -0.13 0.59 -0.15 0.00 1.82 -0.85 -1.86 116.42 115.84 1sqq h ASP 115 Ca 0.20 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1sqq h ASP 115 Cb 0.53 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1sqq h ASP 115 CO -0.82 0.43 0.08 0.40 -1.61 0.00 0.00 179.24 177.71 1sqq h ILE 116 N 0.70 1.11 -0.00 2.25 2.04 -0.55 0.17 117.51 123.22 1sqq h ILE 116 Ca 0.19 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1sqq h ILE 116 Cb -0.07 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1sqq h ILE 116 CO -0.05 0.10 0.00 0.55 0.00 0.00 0.00 178.15 178.75 1sqq n VAL 117 N -4.92 0.00 0.00 1.67 3.14 0.58 -3.92 118.33 114.89 1sqq n VAL 117 Ca -0.05 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1sqq n VAL 117 Cb 0.08 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 1sqq n VAL 117 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1sqq n GLN 118 N -0.84 0.03 -1.63 1.45 6.02 -0.95 -4.96 117.38 116.50 1sqq n GLN 118 Ca 0.22 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.04 1sqq n GLN 118 Cb 0.13 -0.51 0.07 0.00 1.02 0.00 0.00 30.24 30.95 1sqq n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sqq n ASN 119 N -1.15 4.25 -4.55 1.08 5.03 0.57 -5.04 115.26 115.45 1sqq n ASN 119 Ca 0.00 -3.79 -0.39 0.00 0.87 0.00 0.00 54.58 51.27 1sqq n ASN 119 Cb 0.01 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.31 1sqq n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sqq n SER 121 N 10.59 -0.23 -3.81 0.00 7.64 -0.79 -4.86 113.62 122.17 1sqq n SER 121 Ca 0.13 -1.74 -0.42 0.00 1.01 0.00 0.00 58.87 57.85 1sqq n SER 121 Cb 0.50 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1sqq n SER 121 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sqq n LEU 122 N 12.29 6.71 -4.72 -3.43 4.77 -1.26 -4.60 117.00 126.75 1sqq n LEU 122 Ca 0.29 -4.26 -0.41 0.00 -0.03 0.00 0.00 56.01 51.59 1sqq n LEU 122 Cb 0.44 -1.62 -0.04 0.00 -2.33 0.00 0.00 43.42 39.88 1sqq n LEU 122 CO 0.61 1.13 0.72 -1.61 -1.33 0.00 0.00 177.39 176.91 1sqq s GLU 123 N 2.50 4.60 0.16 3.23 0.41 -1.26 -4.85 118.70 123.50 1sqq s GLU 123 Ca 0.45 1.53 -0.15 0.00 -0.41 0.00 0.00 54.97 56.39 1sqq s GLU 123 Cb 0.12 -3.38 0.03 0.00 -1.78 0.00 0.00 34.13 29.12 1sqq s GLU 123 CO -0.06 0.05 1.77 -0.44 -0.49 0.00 0.00 175.26 176.09 1sqq h ASP 124 N 6.02 0.58 -0.92 -0.19 3.45 -2.00 0.40 116.42 123.75 1sqq h ASP 124 Ca -0.42 -0.08 0.18 0.00 0.43 0.00 0.00 57.03 57.13 1sqq h ASP 124 Cb 1.21 -0.15 -0.17 0.00 -0.56 0.00 0.00 39.33 39.67 1sqq h ASP 124 CO 0.74 0.49 -0.25 -1.54 -1.57 0.00 0.00 179.24 177.11 1sqq n SER 125 N -4.69 -0.38 -0.04 6.45 3.41 -1.26 -2.26 113.62 114.85 1sqq n SER 125 Ca 0.01 1.59 -0.15 0.00 -0.26 0.00 0.00 58.87 60.07 1sqq n SER 125 Cb 0.07 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 1sqq n SER 125 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1sqq h GLN 126 N 0.00 0.42 -0.24 4.33 1.08 -0.63 -2.66 115.11 117.42 1sqq h GLN 126 Ca 0.42 -0.30 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1sqq h GLN 126 Cb 0.65 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1sqq h GLN 126 CO -0.95 0.92 0.16 0.97 -0.95 0.00 0.00 178.83 178.99 1sqq h ILE 127 N -0.00 1.01 -0.34 2.54 -0.00 -1.11 0.24 117.51 119.84 1sqq h ILE 127 Ca -0.01 -0.08 -0.06 0.00 -0.00 0.00 0.00 64.86 64.71 1sqq h ILE 127 Cb 0.95 0.75 -0.02 0.00 -0.00 0.00 0.00 36.82 38.51 1sqq h ILE 127 CO 0.07 0.04 -0.04 -0.33 -0.00 0.00 0.00 178.15 177.89 1sqq h GLU 128 N 0.23 0.55 -0.33 2.19 3.07 -1.44 -1.81 114.58 117.04 1sqq h GLU 128 Ca 0.10 -0.13 -0.17 0.00 -0.50 0.00 0.00 59.36 58.66 1sqq h GLU 128 Cb 0.10 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1sqq h GLU 128 CO -0.02 0.60 -0.46 0.87 -1.40 0.00 0.00 179.01 178.61 1sqq h LYS 129 N 0.52 0.87 0.00 2.33 1.57 -0.23 -3.33 116.57 118.30 1sqq h LYS 129 Ca 0.11 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.23 1sqq h LYS 129 Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1sqq h LYS 129 CO 0.02 1.14 -0.77 0.93 -0.57 0.00 0.00 179.45 180.20 1sqq h GLU 130 N 0.69 0.00 -0.79 3.15 4.39 -0.96 -2.71 114.58 118.36 1sqq h GLU 130 Ca 0.04 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1sqq h GLU 130 Cb 1.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1sqq h GLU 130 CO 0.10 0.77 0.51 0.07 -1.16 0.00 0.00 179.01 179.31 1sqq h ARG 131 N 0.00 0.74 -0.10 2.33 0.11 -1.44 0.31 114.38 116.34 1sqq h ARG 131 Ca -0.01 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 1sqq h ARG 131 Cb 1.55 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1sqq h ARG 131 CO 0.10 0.49 -0.34 -0.44 0.10 0.00 0.00 179.97 179.88 1sqq h ASP 132 N 0.77 0.47 -0.58 0.08 3.32 -1.62 -1.12 116.42 117.73 1sqq h ASP 132 Ca 0.35 -0.62 0.11 0.00 0.02 0.00 0.00 57.03 56.90 1sqq h ASP 132 Cb 0.37 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.67 1sqq h ASP 132 CO -0.13 1.00 -0.24 0.58 -1.72 0.00 0.00 179.24 178.74 1sqq h VAL 133 N -0.04 0.29 -0.53 -1.35 2.07 -1.36 -1.45 116.25 113.87 1sqq h VAL 133 Ca -0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1sqq h VAL 133 Cb 0.97 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1sqq h VAL 133 CO 0.07 0.00 -0.04 0.40 0.02 0.00 0.00 177.57 178.02 1sqq h ILE 134 N -0.09 1.27 -0.60 4.57 2.04 -0.80 -0.57 117.51 123.32 1sqq h ILE 134 Ca 0.26 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 1sqq h ILE 134 Cb 0.50 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1sqq h ILE 134 CO -0.64 0.41 0.17 -0.07 0.00 0.00 0.00 178.15 178.03 1sqq h LEU 135 N 0.84 0.85 -0.10 1.44 3.38 -0.97 0.42 115.31 121.17 1sqq h LEU 135 Ca 0.15 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1sqq h LEU 135 Cb 0.59 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1sqq h LEU 135 CO 0.04 0.81 -0.12 1.56 0.09 0.00 0.00 178.44 180.82 1sqq h GLN 136 N 0.88 -0.14 -0.93 1.13 7.50 -1.03 -2.21 115.11 120.30 1sqq h GLN 136 Ca 0.20 0.01 0.19 0.00 0.50 0.00 0.00 58.65 59.54 1sqq h GLN 136 Cb 0.28 0.03 -0.08 0.00 0.05 0.00 0.00 27.48 27.76 1sqq h GLN 136 CO -0.01 -0.10 0.60 0.93 -1.50 0.00 0.00 178.83 178.76 1sqq h GLU 137 N -0.15 0.56 -0.57 1.46 5.08 -0.04 0.39 114.58 121.30 1sqq h GLU 137 Ca 0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1sqq h GLU 137 Cb 0.26 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1sqq h GLU 137 CO -0.19 0.37 0.17 -0.07 -1.00 0.00 0.00 179.01 178.29 1sqq h LEU 138 N 0.57 0.80 -0.04 1.33 3.38 -0.38 0.98 115.31 121.96 1sqq h LEU 138 Ca 0.49 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 58.15 1sqq h LEU 138 Cb 0.99 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1sqq h LEU 138 CO -0.24 0.76 -0.71 -0.61 0.09 0.00 0.00 178.44 177.73 1sqq h GLN 139 N 0.84 0.55 -0.68 1.13 4.15 0.24 -2.60 115.11 118.73 1sqq h GLN 139 Ca 0.19 -0.54 0.11 0.00 0.77 0.00 0.00 58.65 59.18 1sqq h GLN 139 Cb 0.26 0.14 -0.12 0.00 0.21 0.00 0.00 27.48 27.96 1sqq h GLN 139 CO -0.01 1.17 -0.38 1.49 -1.93 0.00 0.00 178.83 179.17 1sqq h GLU 140 N 0.14 -0.14 -0.08 1.69 4.81 -0.99 -3.21 114.58 116.80 1sqq h GLU 140 Ca -0.08 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1sqq h GLU 140 Cb 1.38 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1sqq h GLU 140 CO 0.14 -0.09 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.18 1sqq h ASN 141 N -0.14 0.13 0.18 1.04 -0.26 -0.44 -2.86 115.58 113.24 1sqq h ASN 141 Ca 0.24 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1sqq h ASN 141 Cb 0.56 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1sqq h ASN 141 CO -0.75 0.38 -0.05 0.44 -1.06 0.00 0.00 177.43 176.39 1sqq h ASP 142 N 0.13 0.00 1.26 5.81 3.45 -1.48 -0.97 116.42 124.61 1sqq h ASP 142 Ca 0.02 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.33 1sqq h ASP 142 Cb 0.50 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1sqq h ASP 142 CO 0.03 0.05 -0.76 0.71 -1.57 0.00 0.00 179.24 177.71 1sqq h THR 143 N 0.00 1.11 -0.70 0.35 1.35 -1.63 -3.39 112.91 110.00 1sqq h THR 143 Ca -0.00 -2.60 -0.41 0.00 -0.55 0.00 0.00 66.41 62.85 1sqq h THR 143 Cb 0.16 2.53 -0.06 0.00 -1.73 0.00 0.00 68.15 69.05 1sqq h THR 143 CO 0.01 0.63 1.19 -0.55 -0.25 0.00 0.00 175.52 176.55 1sqq s SER 144 N -6.48 5.55 0.28 5.36 0.15 -0.37 -4.86 113.70 113.33 1sqq s SER 144 Ca 0.02 -1.43 -0.02 0.00 0.70 0.00 0.00 55.95 55.23 1sqq s SER 144 Cb 0.08 -2.58 0.62 0.00 -1.71 0.00 0.00 66.02 62.44 1sqq s SER 144 CO 0.78 -2.46 1.60 0.24 1.20 0.00 0.00 173.24 174.59 1sqq h MET 145 N 9.93 0.05 -0.07 5.44 0.00 -1.81 -0.02 114.93 128.45 1sqq h MET 145 Ca 0.21 -0.00 0.04 0.00 0.00 0.00 0.00 59.70 59.95 1sqq h MET 145 Cb 0.96 -0.01 -0.05 0.00 0.00 0.00 0.00 31.60 32.50 1sqq h MET 145 CO 1.28 0.03 -0.23 -0.09 0.00 0.00 0.00 176.91 177.90 1sqq h ARG 146 N 0.05 -0.32 -0.59 1.72 2.43 -1.94 -0.95 114.38 114.78 1sqq h ARG 146 Ca 0.52 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.81 1sqq h ARG 146 Cb 1.01 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 1sqq h ARG 146 CO -0.84 -0.21 0.21 -0.44 -1.51 0.00 0.00 179.97 177.19 1sqq h ASP 147 N -0.33 0.21 0.28 -3.80 5.19 -1.35 -2.65 116.42 113.97 1sqq h ASP 147 Ca 0.08 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1sqq h ASP 147 Cb 0.45 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1sqq h ASP 147 CO -0.26 0.13 -0.43 0.58 -3.12 0.00 0.00 179.24 176.13 1sqq h VAL 148 N 0.39 0.13 -0.42 -1.35 2.07 -1.10 -2.94 116.25 113.04 1sqq h VAL 148 Ca 0.30 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1sqq h VAL 148 Cb 0.36 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1sqq h VAL 148 CO -0.30 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.15 1sqq h VAL 149 N -0.77 1.08 -0.06 2.57 2.07 -0.83 0.64 116.25 120.95 1sqq h VAL 149 Ca -0.01 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1sqq h VAL 149 Cb 0.74 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1sqq h VAL 149 CO -0.16 0.10 -0.53 -0.26 0.02 0.00 0.00 177.57 176.74 1sqq h PHE 150 N 0.53 0.19 0.19 1.57 -1.00 -1.53 0.34 116.94 117.23 1sqq h PHE 150 Ca 0.16 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1sqq h PHE 150 Cb -0.00 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.52 1sqq h PHE 150 CO -0.00 0.65 -0.09 -0.91 -1.61 0.00 0.00 178.31 176.35 1sqq h ASN 151 N 0.12 -0.22 -0.96 2.17 2.35 -0.75 0.56 115.58 118.85 1sqq h ASN 151 Ca 0.00 -0.28 0.15 0.00 -0.55 0.00 0.00 56.30 55.63 1sqq h ASN 151 Cb 0.98 0.06 -0.16 0.00 0.05 0.00 0.00 38.32 39.24 1sqq h ASN 151 CO 0.08 0.20 -0.37 1.88 -1.65 0.00 0.00 177.43 177.56 1sqq h TYR 152 N -0.69 -1.04 -0.75 1.19 0.99 -1.12 0.41 116.97 115.96 1sqq h TYR 152 Ca -0.03 0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 1sqq h TYR 152 Cb 0.48 0.59 -0.04 0.00 1.00 0.00 0.00 36.73 38.77 1sqq h TYR 152 CO 0.05 -0.40 0.38 1.25 -0.00 0.00 0.00 178.16 179.43 1sqq h LEU 153 N -0.01 0.96 0.01 3.88 5.85 0.04 0.17 115.31 126.21 1sqq h LEU 153 Ca 0.35 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1sqq h LEU 153 Cb 0.60 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1sqq h LEU 153 CO -0.96 0.80 -0.01 0.45 -0.34 0.00 0.00 178.44 178.38 1sqq h HIS 154 N 1.06 -0.02 -0.85 1.25 3.86 -0.44 -1.15 115.15 118.87 1sqq h HIS 154 Ca 0.26 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.63 1sqq h HIS 154 Cb 0.08 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.46 1sqq h HIS 154 CO 0.01 0.11 0.42 0.00 0.86 0.00 0.00 177.93 179.33 1sqq h ALA 155 N 0.85 1.29 0.18 2.45 0.00 0.15 -1.51 119.26 122.68 1sqq h ALA 155 Ca -0.00 0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1sqq h ALA 155 Cb 0.13 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sqq h ALA 155 CO 0.00 -0.14 -1.75 0.00 0.00 0.00 0.00 179.25 177.36 1sqq h THR 156 N 0.58 0.92 -0.34 0.00 1.03 -0.72 -2.23 112.91 112.15 1sqq h THR 156 Ca 0.48 -2.49 -0.03 0.00 -0.01 0.00 0.00 66.41 64.36 1sqq h THR 156 Cb 0.72 2.74 -0.01 0.00 -1.07 0.00 0.00 68.15 70.53 1sqq h THR 156 CO -0.39 0.85 0.10 0.00 -0.01 0.00 0.00 175.52 176.08 1sqq h ALA 157 N 0.10 0.45 -0.53 0.00 0.00 -0.99 -3.14 119.26 115.14 1sqq h ALA 157 Ca -0.35 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.12 1sqq h ALA 157 Cb 2.07 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 19.57 1sqq h ALA 157 CO 0.16 0.09 0.12 1.19 0.00 0.00 0.00 179.25 180.81 1sqq n PHE 158 N -4.65 1.64 -1.61 0.00 3.72 -0.59 0.77 117.46 116.74 1sqq n PHE 158 Ca -0.01 -1.69 -0.61 0.00 -0.05 0.00 0.00 57.45 55.09 1sqq n PHE 158 Cb 0.17 -0.62 -0.08 0.00 -0.94 0.00 0.00 39.48 38.01 1sqq n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sqq n GLN 159 N -1.14 0.27 0.00 -1.08 10.64 -0.84 -0.56 117.38 124.67 1sqq n GLN 159 Ca 0.41 0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.67 1sqq n GLN 159 Cb 1.22 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.96 1sqq n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sqq n GLY 160 N 2.67 2.81 3.84 2.61 0.00 -1.26 -4.86 105.19 111.00 1sqq n GLY 160 Ca 0.24 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1sqq n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqq s THR 161 N -1.76 4.12 0.55 2.61 -4.23 0.27 -5.00 115.64 112.20 1sqq s THR 161 Ca 0.00 -1.37 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1sqq s THR 161 Cb 0.00 -3.33 0.42 0.00 1.34 0.00 0.00 72.50 70.92 1sqq s THR 161 CO 0.00 -0.28 1.94 -0.65 -0.54 0.00 0.00 174.62 175.10 1sqq h PRO 162 N 1.37 0.00 0.00 3.99 0.11 -1.88 -1.31 132.00 134.28 1sqq h PRO 162 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sqq h PRO 162 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sqq h PRO 162 CO 0.60 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 179.64 1sqq h LEU 163 N 0.00 0.00 -2.42 2.35 5.85 -1.88 -2.53 115.31 116.67 1sqq h LEU 163 Ca 0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1sqq h LEU 163 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1sqq h LEU 163 CO -0.00 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.07 1sqq h ALA 164 N 2.02 1.18 -2.51 1.25 0.00 -1.25 -3.44 119.26 116.52 1sqq h ALA 164 Ca 0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.41 1sqq h ALA 164 Cb 0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1sqq h ALA 164 CO 0.00 0.04 0.32 -0.65 0.00 0.00 0.00 179.25 178.96 1sqq s GLN 165 N -4.20 4.60 0.87 0.00 -0.21 -0.95 -3.44 119.66 116.33 1sqq s GLN 165 Ca -0.04 1.31 -0.13 0.00 0.02 0.00 0.00 55.36 56.52 1sqq s GLN 165 Cb 0.13 -2.89 0.07 0.00 1.00 0.00 0.00 33.01 31.31 1sqq s GLN 165 CO 0.50 0.33 0.81 -1.13 -2.12 0.00 0.00 175.29 173.68 1sqq n SER 166 N 0.74 -0.57 0.00 5.90 3.41 -1.26 -4.91 113.62 116.94 1sqq n SER 166 Ca 0.01 0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1sqq n SER 166 Cb 0.50 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.10 1sqq n SER 166 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1sqq h VAL 167 N -1.31 1.32 0.00 -3.33 2.07 -1.94 -3.30 116.25 109.77 1sqq h VAL 167 Ca -0.44 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1sqq h VAL 167 Cb 1.29 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1sqq h VAL 167 CO 0.40 0.60 0.00 -0.33 0.02 0.00 0.00 177.57 178.26 1sqq h GLU 168 N 0.43 0.00 -0.77 1.57 3.07 -1.95 -3.35 114.58 113.58 1sqq h GLU 168 Ca -0.02 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1sqq h GLU 168 Cb 1.24 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 1sqq h GLU 168 CO 0.13 0.00 -0.14 0.41 -1.40 0.00 0.00 179.01 178.00 1sqq n GLY 169 N 1.00 -1.55 3.92 -3.84 0.00 -1.24 -4.15 105.19 99.32 1sqq n GLY 169 Ca 0.04 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 1sqq n GLY 169 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqq s PRO 170 N -1.48 3.42 0.27 1.61 0.04 -1.26 -4.88 135.00 132.72 1sqq s PRO 170 Ca 0.00 0.05 -0.05 0.00 0.04 0.00 0.00 61.00 61.04 1sqq s PRO 170 Cb 0.00 -2.42 0.53 0.00 0.04 0.00 0.00 34.50 32.65 1sqq s PRO 170 CO 0.00 -0.22 1.59 0.77 0.04 0.00 0.00 177.00 179.18 1sqq h SER 171 N 0.26 -0.57 -0.51 6.66 0.02 -2.00 -2.52 113.55 114.90 1sqq h SER 171 Ca -0.47 0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1sqq h SER 171 Cb 1.22 0.47 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 1sqq h SER 171 CO 0.61 -0.28 0.23 -0.08 -1.14 0.00 0.00 176.83 176.17 1sqq h GLU 172 N 0.04 0.78 0.04 3.45 4.57 -1.99 -2.01 114.58 119.46 1sqq h GLU 172 Ca 0.48 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1sqq h GLU 172 Cb 0.86 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1sqq h GLU 172 CO -0.84 0.64 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.69 1sqq h ASN 173 N 0.78 -0.05 -0.84 1.04 -0.26 -1.77 -2.19 115.58 112.29 1sqq h ASN 173 Ca 0.19 -0.41 0.21 0.00 -0.56 0.00 0.00 56.30 55.72 1sqq h ASN 173 Cb 0.13 0.01 -0.15 0.00 -1.06 0.00 0.00 38.32 37.26 1sqq h ASN 173 CO -0.02 0.40 0.06 0.58 -1.06 0.00 0.00 177.43 177.38 1sqq h VAL 174 N -0.51 0.26 -0.02 2.81 2.07 -1.48 0.32 116.25 119.70 1sqq h VAL 174 Ca -0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1sqq h VAL 174 Cb 0.46 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1sqq h VAL 174 CO 0.01 0.02 -0.22 0.03 0.02 0.00 0.00 177.57 177.43 1sqq h ARG 175 N 0.11 0.04 0.00 1.57 3.08 -1.16 -3.32 114.38 114.70 1sqq h ARG 175 Ca 0.49 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.37 1sqq h ARG 175 Cb 0.92 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1sqq h ARG 175 CO -0.73 0.26 -1.66 0.36 -1.07 0.00 0.00 179.97 177.12 1sqq n LYS 176 N -4.26 2.07 -1.70 0.04 2.85 -0.44 -5.05 118.16 111.67 1sqq n LYS 176 Ca -0.02 -0.02 -0.44 0.00 -1.05 0.00 0.00 58.31 56.78 1sqq n LYS 176 Cb 0.29 -1.26 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 1sqq n LYS 176 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1sqq n LEU 177 N -2.30 3.63 -4.93 -5.58 4.77 0.99 -4.98 117.00 108.61 1sqq n LEU 177 Ca -0.14 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.68 1sqq n LEU 177 Cb 0.75 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 1sqq n LEU 177 CO 0.22 -0.09 0.24 -0.94 -1.33 0.00 0.00 177.39 175.48 1sqq s SER 178 N 0.79 6.32 0.21 -1.43 1.04 -1.26 -4.98 113.70 114.38 1sqq s SER 178 Ca 0.73 0.62 -0.16 0.00 0.48 0.00 0.00 55.95 57.61 1sqq s SER 178 Cb -0.58 -2.11 0.22 0.00 0.10 0.00 0.00 66.02 63.65 1sqq s SER 178 CO 0.41 -0.34 1.59 -0.09 0.98 0.00 0.00 173.24 175.79 1sqq h ARG 179 N 0.85 -0.07 -0.47 4.02 2.43 -1.95 -1.97 114.38 117.23 1sqq h ARG 179 Ca -0.49 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1sqq h ARG 179 Cb 1.21 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.68 1sqq h ARG 179 CO 0.62 -0.05 -0.26 0.00 -1.51 0.00 0.00 179.97 178.78 1sqq h ALA 180 N 1.39 0.03 -1.01 2.80 0.00 -1.98 -1.23 119.26 119.26 1sqq h ALA 180 Ca 0.30 0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.60 1sqq h ALA 180 Cb 0.55 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1sqq h ALA 180 CO -0.75 -0.61 0.64 -0.44 0.00 0.00 0.00 179.25 178.09 1sqq h ASP 181 N -0.16 0.53 0.00 0.00 3.32 -1.75 -0.24 116.42 118.13 1sqq h ASP 181 Ca 0.21 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1sqq h ASP 181 Cb 0.50 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1sqq h ASP 181 CO -0.56 0.13 -0.25 -0.07 -1.72 0.00 0.00 179.24 176.77 1sqq h LEU 182 N 0.49 0.00 -1.61 1.55 3.38 -0.92 -2.68 115.31 115.52 1sqq h LEU 182 Ca 0.58 -0.83 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1sqq h LEU 182 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1sqq h LEU 182 CO -0.32 1.06 0.30 0.74 0.09 0.00 0.00 178.44 180.31 1sqq h THR 183 N -1.00 1.06 -0.09 0.22 2.02 -1.10 0.14 112.91 114.16 1sqq h THR 183 Ca -0.07 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1sqq h THR 183 Cb 0.99 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1sqq h THR 183 CO -0.04 0.10 -0.47 -0.08 0.37 0.00 0.00 175.52 175.39 1sqq h GLU 184 N 0.52 -0.50 -0.73 6.66 4.81 -1.11 -0.07 114.58 124.17 1sqq h GLU 184 Ca 0.18 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1sqq h GLU 184 Cb 0.07 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1sqq h GLU 184 CO -0.04 -0.33 0.48 -0.92 -0.73 0.00 0.00 179.01 177.46 1sqq h TYR 185 N -0.52 0.91 0.16 0.92 5.03 -0.91 -1.11 116.97 121.44 1sqq h TYR 185 Ca 0.02 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1sqq h TYR 185 Cb 0.60 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1sqq h TYR 185 CO -0.55 0.56 -0.13 1.25 -1.32 0.00 0.00 178.16 177.97 1sqq h LEU 186 N 0.97 -0.32 -0.89 2.82 7.12 -0.74 -1.38 115.31 122.89 1sqq h LEU 186 Ca 0.27 0.03 0.16 0.00 0.13 0.00 0.00 57.88 58.47 1sqq h LEU 186 Cb -0.09 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.04 1sqq h LEU 186 CO -0.07 -0.20 0.47 0.28 -0.13 0.00 0.00 178.44 178.80 1sqq h SER 187 N -0.30 0.57 -0.65 1.25 0.02 -0.79 -1.54 113.55 112.11 1sqq h SER 187 Ca -0.01 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1sqq h SER 187 Cb 0.27 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1sqq h SER 187 CO -0.01 0.21 0.13 0.03 -1.14 0.00 0.00 176.83 176.06 1sqq h ARG 188 N 0.64 1.06 0.00 3.45 2.47 -0.76 -3.41 114.38 117.83 1sqq h ARG 188 Ca 0.50 -0.27 -0.08 0.00 -1.26 0.00 0.00 59.98 58.88 1sqq h ARG 188 Cb 0.75 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1sqq h ARG 188 CO -0.38 0.96 -1.29 0.72 0.56 0.00 0.00 179.97 180.54 1sqq n HIS 189 N -4.28 0.00 -1.41 3.04 8.25 -0.56 -4.67 115.22 115.60 1sqq n HIS 189 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1sqq n HIS 189 Cb 0.27 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1sqq n HIS 189 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sqq n TYR 190 N -2.55 1.80 -4.52 4.41 0.53 -0.59 -4.85 117.16 111.38 1sqq n TYR 190 Ca -0.09 -2.53 -0.25 0.00 -1.02 0.00 0.00 57.90 54.01 1sqq n TYR 190 Cb 0.60 -2.01 -0.14 0.00 -1.03 0.00 0.00 39.34 36.76 1sqq n TYR 190 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 1sqq s LYS 191 N 0.72 1.31 0.26 -0.72 -2.85 -1.26 -4.95 119.74 112.24 1sqq s LYS 191 Ca 0.65 -1.03 0.07 0.00 -1.00 0.00 0.00 55.97 54.65 1sqq s LYS 191 Cb 0.24 -1.49 0.31 0.00 -2.06 0.00 0.00 37.83 34.82 1sqq s LYS 191 CO -0.07 0.37 1.59 0.00 0.10 0.00 0.00 175.35 177.33 1sqq h ALA 192 N 4.57 0.92 0.00 0.59 0.00 -1.89 0.92 119.26 124.37 1sqq h ALA 192 Ca -0.44 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1sqq h ALA 192 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sqq h ALA 192 CO 0.42 0.74 0.15 -2.30 0.00 0.00 0.00 179.25 178.26 1sqq n PRO 193 N -3.85 0.00 -0.06 0.00 -0.02 -1.23 -1.73 135.00 128.11 1sqq n PRO 193 Ca -0.02 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 1sqq n PRO 193 Cb 0.61 -1.65 0.09 0.00 -0.02 0.00 0.00 33.50 32.54 1sqq n PRO 193 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sqq n ARG 194 N -1.17 1.76 -5.00 -0.52 1.74 0.32 -4.94 116.66 108.84 1sqq n ARG 194 Ca 0.00 -2.20 -0.28 0.00 -0.77 0.00 0.00 57.85 54.61 1sqq n ARG 194 Cb 0.15 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 1sqq n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqq s MET 195 N -2.22 1.89 -0.16 5.56 -1.94 -0.71 -0.42 119.30 121.29 1sqq s MET 195 Ca 0.21 -0.73 -0.05 0.00 -1.71 0.00 0.00 55.69 53.42 1sqq s MET 195 Cb 0.19 -1.70 -0.03 0.00 2.01 0.00 0.00 34.83 35.29 1sqq s MET 195 CO 0.02 0.36 -0.00 0.08 -0.01 0.00 0.00 175.02 175.47 1sqq s VAL 196 N -0.24 4.23 -0.58 -6.03 1.01 -0.21 -3.12 120.40 115.46 1sqq s VAL 196 Ca 0.02 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1sqq s VAL 196 Cb -0.10 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.46 1sqq s VAL 196 CO 0.01 0.48 0.89 -0.22 0.00 0.00 0.00 175.10 176.27 1sqq s LEU 197 N 0.34 4.35 0.04 3.92 2.96 -0.77 -0.41 118.68 129.11 1sqq s LEU 197 Ca -0.01 -0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 1sqq s LEU 197 Cb -0.13 -2.63 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 1sqq s LEU 197 CO 0.02 -1.24 0.44 0.00 -1.32 0.00 0.00 176.35 174.25 1sqq s ALA 198 N 3.75 3.68 0.20 5.97 0.00 0.06 -0.60 121.76 134.81 1sqq s ALA 198 Ca 0.25 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.03 1sqq s ALA 198 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1sqq s ALA 198 CO 0.15 0.49 -0.05 0.00 0.00 0.00 0.00 175.76 176.35 1sqq s ALA 199 N -1.20 1.69 -0.19 0.00 0.00 0.48 -1.52 121.76 121.02 1sqq s ALA 199 Ca 0.28 -1.66 -0.13 0.00 0.00 0.00 0.00 51.96 50.45 1sqq s ALA 199 Cb -0.16 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1sqq s ALA 199 CO 0.15 -0.17 0.49 0.00 0.00 0.00 0.00 175.76 176.23 1sqq s ALA 200 N -3.35 -1.25 0.00 0.00 0.00 0.50 -2.74 121.76 114.92 1sqq s ALA 200 Ca 0.24 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1sqq s ALA 200 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1sqq s ALA 200 CO 0.05 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1sqq n GLY 201 N 3.77 0.32 2.51 0.00 0.00 -0.86 -1.27 105.19 109.66 1sqq n GLY 201 Ca -0.19 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1sqq n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 202 N 0.00 4.82 3.09 -0.02 0.00 -1.19 -0.05 105.19 111.85 1sqq n GLY 202 Ca 0.00 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 1sqq n GLY 202 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sqq s LEU 203 N -0.88 2.23 0.16 0.99 2.34 -1.26 -4.83 118.68 117.43 1sqq s LEU 203 Ca 0.56 -0.51 -0.20 0.00 0.06 0.00 0.00 54.13 54.04 1sqq s LEU 203 Cb 0.17 -0.31 -0.08 0.00 -0.56 0.00 0.00 46.19 45.41 1sqq s LEU 203 CO -0.07 -0.12 0.66 -1.61 -1.06 0.00 0.00 176.35 174.15 1sqq s GLU 204 N -1.43 4.24 0.12 1.48 2.02 -1.26 -4.61 118.70 119.26 1sqq s GLU 204 Ca -0.06 0.82 -0.12 0.00 0.02 0.00 0.00 54.97 55.63 1sqq s GLU 204 Cb -0.09 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 1sqq s GLU 204 CO 0.01 0.50 1.43 1.25 0.02 0.00 0.00 175.26 178.46 1sqq h HIS 205 N 3.86 1.06 -0.89 1.61 -0.00 -1.99 -2.76 115.15 116.05 1sqq h HIS 205 Ca -0.48 -0.35 0.08 0.00 -0.00 0.00 0.00 60.37 59.62 1sqq h HIS 205 Cb 1.20 -0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 28.29 1sqq h HIS 205 CO 0.65 1.17 -0.58 0.00 -0.00 0.00 0.00 177.93 179.17 1sqq h ARG 206 N 0.65 -0.06 -1.06 5.26 2.47 -2.00 -1.86 114.38 117.79 1sqq h ARG 206 Ca 0.03 0.00 0.28 0.00 -1.26 0.00 0.00 59.98 59.04 1sqq h ARG 206 Cb 1.05 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.29 1sqq h ARG 206 CO 0.10 -0.04 0.68 0.37 0.56 0.00 0.00 179.97 181.64 1sqq h GLN 207 N -0.07 0.36 -0.02 0.04 4.15 -1.92 -0.16 115.11 117.49 1sqq h GLN 207 Ca 0.14 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.36 1sqq h GLN 207 Cb 0.44 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.06 1sqq h GLN 207 CO -0.87 0.24 -0.71 1.25 -1.93 0.00 0.00 178.83 176.81 1sqq h LEU 208 N 0.37 0.66 -0.76 -2.39 6.46 -1.16 -2.95 115.31 115.54 1sqq h LEU 208 Ca 0.61 -0.73 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1sqq h LEU 208 Cb 1.58 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 41.27 1sqq h LEU 208 CO -0.30 1.30 0.39 0.25 -0.62 0.00 0.00 178.44 179.46 1sqq h LEU 209 N 0.09 0.98 -0.66 2.25 6.46 -0.25 0.12 115.31 124.30 1sqq h LEU 209 Ca -0.08 -0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.66 1sqq h LEU 209 Cb 1.39 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.99 1sqq h LEU 209 CO 0.14 0.82 0.27 0.44 -0.62 0.00 0.00 178.44 179.49 1sqq h ASP 210 N 1.06 0.29 1.01 1.25 3.45 -1.44 -0.69 116.42 121.36 1sqq h ASP 210 Ca 0.26 0.08 -0.05 0.00 0.43 0.00 0.00 57.03 57.75 1sqq h ASP 210 Cb 0.08 0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1sqq h ASP 210 CO -0.04 0.16 -0.26 -0.07 -1.57 0.00 0.00 179.24 177.47 1sqq h LEU 211 N 0.46 0.00 0.24 1.55 3.38 -1.20 0.16 115.31 119.90 1sqq h LEU 211 Ca 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1sqq h LEU 211 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1sqq h LEU 211 CO -0.31 0.26 -0.11 0.00 0.09 0.00 0.00 178.44 178.36 1sqq h ALA 212 N 1.74 -0.32 -0.10 1.53 0.00 0.19 -2.94 119.26 119.37 1sqq h ALA 212 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sqq h ALA 212 Cb 0.83 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sqq h ALA 212 CO 0.03 -0.41 0.00 1.96 0.00 0.00 0.00 179.25 180.84 1sqq h GLN 213 N -0.85 0.13 -0.53 0.00 1.08 -1.11 0.13 115.11 113.96 1sqq h GLN 213 Ca -0.03 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1sqq h GLN 213 Cb 0.51 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 1sqq h GLN 213 CO 0.05 0.15 0.20 -0.22 -0.95 0.00 0.00 178.83 178.06 1sqq h LYS 214 N 0.14 0.77 0.00 1.46 3.64 -0.97 -3.33 116.57 118.27 1sqq h LYS 214 Ca 0.03 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sqq h LYS 214 Cb 0.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1sqq h LYS 214 CO 0.00 0.65 0.00 0.72 -2.27 0.00 0.00 179.45 178.55 1sqq n HIS 215 N -4.33 0.00 -0.04 1.91 8.25 -0.92 -4.73 115.22 115.35 1sqq n HIS 215 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1sqq n HIS 215 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1sqq n HIS 215 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqq n PHE 216 N -0.26 0.00 -1.85 4.41 3.01 0.40 -4.79 117.46 118.38 1sqq n PHE 216 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1sqq n PHE 216 Cb 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.50 1sqq n PHE 216 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sqq s SER 217 N -0.41 6.45 -0.34 4.37 0.15 -1.25 -3.46 113.70 119.20 1sqq s SER 217 Ca 0.00 2.87 -0.08 0.00 0.70 0.00 0.00 55.95 59.44 1sqq s SER 217 Cb 0.00 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1sqq s SER 217 CO 0.00 -0.85 0.26 0.61 1.20 0.00 0.00 173.24 174.46 1sqq n GLY 218 N 2.11 -2.70 0.78 9.45 0.00 -1.26 -5.02 105.19 108.54 1sqq n GLY 218 Ca 0.07 0.78 -0.02 0.00 0.00 0.00 0.00 46.02 46.85 1sqq n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sqq n LEU 219 N 0.32 1.19 -0.30 0.99 4.77 -1.23 -4.77 117.00 117.98 1sqq n LEU 219 Ca 0.04 0.17 0.02 0.00 -0.03 0.00 0.00 56.01 56.22 1sqq n LEU 219 Cb 0.24 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1sqq n LEU 219 CO 0.44 -0.61 0.55 -0.24 -1.33 0.00 0.00 177.39 176.20 1sqq n SER 220 N -3.62 0.85 0.00 -1.43 2.88 -1.26 -4.74 113.62 106.29 1sqq n SER 220 Ca -0.03 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1sqq n SER 220 Cb 0.13 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1sqq n SER 220 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqq n GLY 221 N 0.72 1.38 3.14 0.46 0.00 -1.26 -3.55 105.19 106.08 1sqq n GLY 221 Ca 0.05 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 1sqq n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqq s THR 222 N 0.00 1.05 0.00 2.61 -4.23 -1.26 -4.69 115.64 109.12 1sqq s THR 222 Ca 0.00 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1sqq s THR 222 Cb 0.00 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1sqq s THR 222 CO 0.00 -0.09 0.00 0.00 -0.54 0.00 0.00 174.62 173.99 1sqq n TYR 223 N 1.72 0.00 0.00 3.99 -0.00 -1.23 -5.07 117.16 116.57 1sqq n TYR 223 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.71 1sqq n TYR 223 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 1sqq n TYR 223 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1sqq n ASP 224 N 0.00 0.00 -1.02 2.98 5.68 -1.26 -4.94 116.55 117.99 1sqq n ASP 224 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 1sqq n ASP 224 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1sqq n ASP 224 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1sqq n GLU 225 N -0.15 -1.13 0.00 0.11 4.07 -1.26 -4.64 120.64 117.64 1sqq n GLU 225 Ca 0.00 0.74 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 1sqq n GLU 225 Cb 0.00 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1sqq n GLU 225 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1sqq n ASP 226 N -3.00 0.00 -3.21 4.31 -0.08 -1.26 -3.68 116.55 109.63 1sqq n ASP 226 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1sqq n ASP 226 Cb 0.26 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.78 1sqq n ASP 226 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqq n ALA 227 N 1.16 -1.13 -1.98 -1.67 0.00 -1.26 -5.00 120.51 110.62 1sqq n ALA 227 Ca 0.00 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 1sqq n ALA 227 Cb 0.00 -4.81 -0.03 0.00 0.00 0.00 0.00 19.45 14.61 1sqq n ALA 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sqq s VAL 228 N -3.26 3.52 0.20 0.00 1.01 -1.24 -5.05 120.40 115.59 1sqq s VAL 228 Ca 0.49 0.61 0.04 0.00 0.00 0.00 0.00 61.98 63.11 1sqq s VAL 228 Cb -0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1sqq s VAL 228 CO 0.60 -0.15 0.33 -2.16 0.00 0.00 0.00 175.10 173.73 1sqq s PRO 229 N 4.57 3.44 0.92 2.72 0.05 -1.26 -5.15 135.00 140.29 1sqq s PRO 229 Ca 0.77 -0.69 -0.12 0.00 0.05 0.00 0.00 61.00 61.01 1sqq s PRO 229 Cb -0.31 -2.92 0.20 0.00 0.05 0.00 0.00 34.50 31.53 1sqq s PRO 229 CO 0.31 0.46 1.26 0.99 0.05 0.00 0.00 177.00 180.07 1sqq s THR 230 N -1.89 2.00 0.02 1.26 2.01 -1.26 -5.10 115.64 112.69 1sqq s THR 230 Ca 0.34 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1sqq s THR 230 Cb -0.10 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1sqq s THR 230 CO 0.29 0.00 1.04 -0.76 -0.69 0.00 0.00 174.62 174.50 1sqq s LEU 231 N -5.73 4.37 0.31 4.42 1.43 -1.26 -5.08 118.68 117.14 1sqq s LEU 231 Ca 0.74 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 55.31 1sqq s LEU 231 Cb -0.03 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.49 1sqq s LEU 231 CO 0.51 -0.31 1.24 -1.54 0.23 0.00 0.00 176.35 176.48 1sqq n SER 232 N 3.87 2.41 -3.07 2.29 3.41 -1.26 -5.05 113.62 116.22 1sqq n SER 232 Ca 0.07 1.19 -0.32 0.00 -0.26 0.00 0.00 58.87 59.55 1sqq n SER 232 Cb 0.50 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1sqq n SER 232 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sqq n PRO 233 N 0.82 0.00 -3.86 4.33 -0.02 -1.26 -5.01 135.00 130.01 1sqq n PRO 233 Ca 0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 1sqq n PRO 233 Cb 0.34 -0.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.99 1sqq n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqq n ARG 235 N 4.65 0.00 -3.56 0.00 0.63 -1.26 -4.99 116.66 112.13 1sqq n ARG 235 Ca -0.11 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.46 1sqq n ARG 235 Cb 0.43 -0.52 -0.07 0.00 0.45 0.00 0.00 32.46 32.75 1sqq n ARG 235 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1sqq s PHE 236 N 0.76 3.44 0.00 -0.14 5.36 -1.26 -4.46 117.98 121.68 1sqq s PHE 236 Ca 0.35 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 1sqq s PHE 236 Cb -0.50 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1sqq s PHE 236 CO 0.26 0.23 0.00 2.41 -1.46 0.00 0.00 175.22 176.66 1sqq n THR 237 N 3.63 0.00 -1.23 0.12 -1.04 0.23 -5.02 114.28 110.97 1sqq n THR 237 Ca -0.12 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1sqq n THR 237 Cb 0.52 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 1sqq n THR 237 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sqq n GLY 238 N 2.18 -4.44 0.00 3.41 0.00 -1.25 -4.85 105.19 100.24 1sqq n GLY 238 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1sqq n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqq n SER 239 N 0.02 0.00 -3.96 1.61 3.41 -1.16 -4.84 113.62 108.70 1sqq n SER 239 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1sqq n SER 239 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1sqq n SER 239 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1sqq s GLN 240 N -3.66 0.59 -0.13 4.33 0.74 -1.26 -1.45 119.66 118.83 1sqq s GLN 240 Ca 0.00 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1sqq s GLN 240 Cb 0.00 -0.58 0.01 0.00 1.10 0.00 0.00 33.01 33.54 1sqq s GLN 240 CO 0.00 0.09 -0.21 -1.50 -0.55 0.00 0.00 175.29 173.12 1sqq s ILE 241 N 0.09 1.95 -0.26 -2.34 2.07 -0.67 -4.98 121.20 117.07 1sqq s ILE 241 Ca -0.01 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 1sqq s ILE 241 Cb -0.05 -1.73 0.07 0.00 0.13 0.00 0.00 42.46 40.88 1sqq s ILE 241 CO -0.00 0.53 -0.02 0.00 -1.91 0.00 0.00 174.94 173.54 1sqq s HIS 243 N 1.36 3.72 -0.06 0.00 5.04 -0.59 -4.99 115.29 119.76 1sqq s HIS 243 Ca -0.01 -2.20 -0.30 0.00 -1.54 0.00 0.00 55.06 51.01 1sqq s HIS 243 Cb -0.19 -3.68 -0.04 0.00 0.04 0.00 0.00 32.58 28.71 1sqq s HIS 243 CO -0.09 -0.95 1.41 0.50 -2.34 0.00 0.00 174.74 173.27 1sqq s ARG 244 N 0.01 4.25 -0.36 2.88 6.06 -1.26 -2.36 118.95 128.17 1sqq s ARG 244 Ca 0.19 1.92 0.04 0.00 -2.50 0.00 0.00 55.73 55.37 1sqq s ARG 244 Cb -0.12 -3.71 0.16 0.00 0.06 0.00 0.00 34.95 31.34 1sqq s ARG 244 CO -0.08 -0.66 0.42 -2.00 -2.50 0.00 0.00 175.30 170.48 1sqq s GLU 245 N 3.01 0.63 0.00 5.12 -6.30 -0.12 -4.88 118.70 116.16 1sqq s GLU 245 Ca 0.63 -0.62 0.00 0.00 -2.50 0.00 0.00 54.97 52.49 1sqq s GLU 245 Cb -0.29 -0.54 0.00 0.00 0.00 0.00 0.00 34.13 33.30 1sqq s GLU 245 CO 0.24 -1.17 0.50 -0.25 0.02 0.00 0.00 175.26 174.60 1sqq n ASP 246 N 4.45 0.22 0.05 -1.70 8.00 -1.26 -2.36 116.55 123.96 1sqq n ASP 246 Ca 0.09 -1.23 0.11 0.00 0.71 0.00 0.00 54.79 54.48 1sqq n ASP 246 Cb 0.48 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1sqq n ASP 246 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqq n GLY 247 N 0.14 -1.27 3.77 0.44 0.00 -1.26 -4.88 105.19 102.13 1sqq n GLY 247 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1sqq n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqq s LEU 248 N -4.59 4.36 0.21 0.99 1.43 -1.00 -5.00 118.68 115.09 1sqq s LEU 248 Ca -0.00 0.83 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1sqq s LEU 248 Cb 0.12 -2.59 0.13 0.00 0.03 0.00 0.00 46.19 43.88 1sqq s LEU 248 CO 0.82 0.16 1.47 -0.65 0.23 0.00 0.00 176.35 178.38 1sqq h PRO 249 N 5.82 0.05 -6.81 1.29 0.11 -1.89 -3.36 132.00 127.20 1sqq h PRO 249 Ca -0.46 -0.05 -0.69 0.00 0.11 0.00 0.00 66.00 64.91 1sqq h PRO 249 Cb 1.19 0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 1sqq h PRO 249 CO 0.69 0.80 -0.87 -0.51 -0.21 0.00 0.00 178.00 177.90 1sqq s LEU 250 N -7.35 2.30 0.27 2.35 1.43 -1.26 -4.55 118.68 111.86 1sqq s LEU 250 Ca -0.01 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1sqq s LEU 250 Cb 0.11 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 1sqq s LEU 250 CO 0.79 0.22 0.96 0.00 0.23 0.00 0.00 176.35 178.54 1sqq s ALA 251 N -0.96 3.31 -0.09 4.21 0.00 -0.26 -4.42 121.76 123.56 1sqq s ALA 251 Ca 0.13 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 1sqq s ALA 251 Cb -0.10 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1sqq s ALA 251 CO 0.05 0.17 -0.02 -1.01 0.00 0.00 0.00 175.76 174.94 1sqq s HIS 252 N -1.29 3.08 -0.02 0.00 3.76 -0.06 -1.83 115.29 118.93 1sqq s HIS 252 Ca 0.44 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1sqq s HIS 252 Cb -0.25 -1.79 -0.00 0.00 1.11 0.00 0.00 32.58 31.65 1sqq s HIS 252 CO 0.31 0.36 -0.11 0.08 -0.85 0.00 0.00 174.74 174.53 1sqq s VAL 253 N -0.68 0.88 -0.07 -0.90 1.01 -0.36 -2.19 120.40 118.10 1sqq s VAL 253 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1sqq s VAL 253 Cb -0.12 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1sqq s VAL 253 CO 0.02 0.26 -0.07 0.00 0.00 0.00 0.00 175.10 175.31 1sqq s ALA 254 N -0.06 1.03 -0.06 5.51 0.00 -0.34 -0.62 121.76 127.22 1sqq s ALA 254 Ca 0.01 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1sqq s ALA 254 Cb -0.06 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1sqq s ALA 254 CO 0.00 -0.15 -0.07 -1.50 0.00 0.00 0.00 175.76 174.04 1sqq s ILE 255 N 1.20 0.80 -0.11 0.00 2.07 -0.71 0.08 121.20 124.53 1sqq s ILE 255 Ca -0.06 -0.25 -0.13 0.00 -1.41 0.00 0.00 60.65 58.80 1sqq s ILE 255 Cb -0.14 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.69 1sqq s ILE 255 CO -0.02 0.29 0.36 0.00 -1.91 0.00 0.00 174.94 173.66 1sqq s ALA 256 N 1.03 -0.89 0.69 1.50 0.00 0.23 -1.81 121.76 122.51 1sqq s ALA 256 Ca -0.09 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 1sqq s ALA 256 Cb -0.14 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.56 1sqq s ALA 256 CO -0.00 -0.19 1.01 0.14 0.00 0.00 0.00 175.76 176.72 1sqq s VAL 257 N -0.11 2.62 0.07 0.00 -7.23 0.46 -0.33 120.40 115.88 1sqq s VAL 257 Ca -0.03 -0.13 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 1sqq s VAL 257 Cb -0.03 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.72 1sqq s VAL 257 CO 0.01 -0.14 1.26 -0.70 -0.31 0.00 0.00 175.10 175.21 1sqq s GLU 258 N -5.23 4.39 0.81 4.82 2.12 -1.26 -0.74 118.70 123.61 1sqq s GLU 258 Ca 0.59 1.85 -0.06 0.00 0.36 0.00 0.00 54.97 57.71 1sqq s GLU 258 Cb -0.11 -3.34 0.16 0.00 0.26 0.00 0.00 34.13 31.10 1sqq s GLU 258 CO 0.46 -0.32 1.12 0.20 -0.54 0.00 0.00 175.26 176.17 1sqq s GLY 259 N 1.13 1.77 0.04 -1.50 0.00 0.54 -4.79 107.32 104.51 1sqq s GLY 259 Ca 0.60 -1.60 0.21 0.00 0.00 0.00 0.00 44.72 43.93 1sqq s GLY 259 CO 0.29 -0.94 0.67 -1.55 0.00 0.00 0.00 173.10 171.57 1sqq n PRO 260 N -3.17 0.64 0.00 2.90 -0.04 -1.26 -3.17 135.00 130.89 1sqq n PRO 260 Ca 0.16 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1sqq n PRO 260 Cb 0.60 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1sqq n PRO 260 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sqq n GLY 261 N 1.31 -1.94 0.27 0.55 0.00 -1.23 -2.93 105.19 101.22 1sqq n GLY 261 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1sqq n GLY 261 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1sqq h TRP 262 N 0.00 0.66 0.02 1.61 4.06 -1.75 -2.47 115.95 118.08 1sqq h TRP 262 Ca 0.00 0.03 -0.26 0.00 2.06 0.00 0.00 58.89 60.72 1sqq h TRP 262 Cb 0.00 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 1sqq h TRP 262 CO 0.00 0.27 -1.33 0.00 -3.56 0.00 0.00 178.44 173.82 1sqq h ALA 263 N 1.40 0.47 -2.55 1.49 0.00 -1.88 -3.46 119.26 114.73 1sqq h ALA 263 Ca 0.34 -1.13 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 1sqq h ALA 263 Cb 0.30 0.14 0.04 0.00 0.00 0.00 0.00 17.79 18.27 1sqq h ALA 263 CO -0.24 1.34 0.91 -1.58 0.00 0.00 0.00 179.25 179.68 1sqq s HIS 264 N -2.66 2.87 0.33 0.00 5.04 -0.93 -4.90 115.29 115.04 1sqq s HIS 264 Ca -0.03 0.54 0.10 0.00 -1.54 0.00 0.00 55.06 54.14 1sqq s HIS 264 Cb 0.09 -3.93 1.02 0.00 0.04 0.00 0.00 32.58 29.79 1sqq s HIS 264 CO 0.83 -3.52 1.58 -1.35 -2.34 0.00 0.00 174.74 169.94 1sqq h PRO 265 N 7.29 0.03 -0.86 2.88 0.10 -1.90 -3.24 132.00 136.30 1sqq h PRO 265 Ca -0.43 -0.00 -0.05 0.00 0.10 0.00 0.00 66.00 65.63 1sqq h PRO 265 Cb 1.20 -0.01 -0.03 0.00 0.10 0.00 0.00 31.00 32.27 1sqq h PRO 265 CO 0.92 0.02 0.06 -0.40 0.10 0.00 0.00 178.00 178.70 1sqq n ASP 266 N -5.35 3.06 -0.07 -2.05 3.85 -1.26 -3.49 116.55 111.24 1sqq n ASP 266 Ca 0.30 -2.45 -0.14 0.00 -0.71 0.00 0.00 54.79 51.78 1sqq n ASP 266 Cb 0.99 -0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 1sqq n ASP 266 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 1sqq h ASN 267 N 1.41 0.95 -0.10 -1.12 2.35 -1.91 -2.60 115.58 114.55 1sqq h ASN 267 Ca 0.06 -0.51 0.04 0.00 -0.55 0.00 0.00 56.30 55.34 1sqq h ASN 267 Cb 1.26 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 1sqq h ASN 267 CO 0.26 1.31 -0.24 0.58 -1.65 0.00 0.00 177.43 177.69 1sqq h VAL 268 N 0.65 0.43 -0.32 2.81 2.07 -1.85 0.13 116.25 120.16 1sqq h VAL 268 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1sqq h VAL 268 Cb 1.16 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1sqq h VAL 268 CO 0.12 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.80 1sqq h ALA 269 N 0.60 1.55 -0.35 1.67 0.00 -1.82 -0.62 119.26 120.30 1sqq h ALA 269 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1sqq h ALA 269 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sqq h ALA 269 CO -0.29 0.34 -0.23 -0.07 0.00 0.00 0.00 179.25 179.00 1sqq h LEU 270 N 0.46 0.81 -1.05 0.00 3.38 -1.07 -1.52 115.31 116.33 1sqq h LEU 270 Ca 0.11 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1sqq h LEU 270 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sqq h LEU 270 CO -0.01 1.07 -0.09 1.56 0.09 0.00 0.00 178.44 181.06 1sqq h GLN 271 N 0.56 0.57 0.38 1.13 1.08 -0.25 -0.22 115.11 118.36 1sqq h GLN 271 Ca 0.07 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1sqq h GLN 271 Cb 0.79 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1sqq h GLN 271 CO 0.06 0.67 -0.18 0.28 -0.95 0.00 0.00 178.83 178.70 1sqq h VAL 272 N 0.53 0.63 -0.46 -0.54 2.07 -1.00 -1.04 116.25 116.44 1sqq h VAL 272 Ca 0.10 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1sqq h VAL 272 Cb 0.48 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1sqq h VAL 272 CO 0.03 0.01 0.11 0.00 0.02 0.00 0.00 177.57 177.74 1sqq h ALA 273 N 0.08 1.33 -0.29 1.67 0.00 -1.01 -1.45 119.26 119.59 1sqq h ALA 273 Ca -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1sqq h ALA 273 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sqq h ALA 273 CO 0.09 0.47 0.15 -0.91 0.00 0.00 0.00 179.25 179.06 1sqq h ASN 274 N 0.67 0.37 -0.55 0.00 -0.26 -0.99 -3.00 115.58 111.83 1sqq h ASN 274 Ca 0.15 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1sqq h ASN 274 Cb 0.25 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1sqq h ASN 274 CO -0.00 0.37 0.26 0.00 -1.06 0.00 0.00 177.43 176.99 1sqq h ALA 275 N 1.02 1.36 -0.51 -0.83 0.00 -0.16 0.55 119.26 120.69 1sqq h ALA 275 Ca 0.10 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 275 Cb 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 1sqq h ALA 275 CO -0.02 0.49 0.02 0.82 0.00 0.00 0.00 179.25 180.56 1sqq h ILE 276 N 0.82 0.61 -0.13 0.00 2.04 -1.26 -2.87 117.51 116.73 1sqq h ILE 276 Ca 0.20 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 1sqq h ILE 276 Cb 0.12 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1sqq h ILE 276 CO -0.02 0.02 -0.34 0.40 0.00 0.00 0.00 178.15 178.22 1sqq h ILE 277 N 0.14 1.37 0.00 -0.67 2.04 -1.24 -3.40 117.51 115.74 1sqq h ILE 277 Ca 0.26 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1sqq h ILE 277 Cb 0.39 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1sqq h ILE 277 CO -0.42 0.48 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1sqq n GLY 278 N 0.51 2.44 3.35 5.37 0.00 0.18 -4.60 105.19 112.45 1sqq n GLY 278 Ca -0.07 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1sqq n GLY 278 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sqq s HIS 279 N 0.00 -0.39 0.26 1.61 -3.43 -1.26 -1.87 115.29 110.20 1sqq s HIS 279 Ca 0.00 0.71 0.03 0.00 -0.80 0.00 0.00 55.06 55.00 1sqq s HIS 279 Cb 0.00 0.21 -0.05 0.00 -1.43 0.00 0.00 32.58 31.31 1sqq s HIS 279 CO 0.00 -0.44 0.04 -0.47 -2.00 0.00 0.00 174.74 171.88 1sqq s TYR 280 N -1.01 1.63 -0.19 0.38 5.04 -0.70 -4.93 117.35 117.57 1sqq s TYR 280 Ca -0.10 -1.02 -0.29 0.00 -2.44 0.00 0.00 57.07 53.21 1sqq s TYR 280 Cb -0.03 -0.98 0.13 0.00 0.35 0.00 0.00 41.96 41.43 1sqq s TYR 280 CO 0.05 -0.14 1.01 0.34 -1.34 0.00 0.00 175.55 175.48 1sqq s ASP 281 N -3.34 -0.38 0.00 4.32 2.15 -1.26 -1.87 116.67 116.29 1sqq s ASP 281 Ca 0.33 0.51 0.22 0.00 0.43 0.00 0.00 52.55 54.04 1sqq s ASP 281 Cb 0.07 0.43 1.04 0.00 -0.30 0.00 0.00 42.92 44.16 1sqq s ASP 281 CO 0.12 -0.29 1.71 0.00 -0.17 0.00 0.00 175.17 176.53 1sqq n THR 283 N -1.38 0.00 -1.69 0.00 -2.24 -1.26 -4.89 114.28 102.82 1sqq n THR 283 Ca 0.08 -0.12 -0.54 0.00 -2.27 0.00 0.00 64.05 61.21 1sqq n THR 283 Cb 0.21 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1sqq n THR 283 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1sqq n TYR 284 N -0.80 2.10 -2.15 4.78 4.02 -1.04 -4.99 117.16 119.07 1sqq n TYR 284 Ca 0.07 0.37 -0.37 0.00 -0.01 0.00 0.00 57.90 57.96 1sqq n TYR 284 Cb 0.39 -2.51 0.01 0.00 -0.02 0.00 0.00 39.34 37.20 1sqq n TYR 284 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1sqq s GLY 285 N 3.30 2.77 0.05 2.72 0.00 -1.26 -4.85 107.32 110.04 1sqq s GLY 285 Ca 0.94 0.99 0.00 0.00 0.00 0.00 0.00 44.72 46.66 1sqq s GLY 285 CO 0.58 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.73 1sqq n GLY 286 N 0.46 -4.03 0.00 0.20 0.00 -1.26 -5.03 105.19 95.54 1sqq n GLY 286 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1sqq n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 287 N 0.39 1.84 0.00 -0.02 0.00 -1.26 -4.61 105.19 101.52 1sqq n GLY 287 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1sqq n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq n ALA 288 N -3.00 0.00 0.35 4.61 0.00 -1.26 -1.18 120.51 120.03 1sqq n ALA 288 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1sqq n ALA 288 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1sqq n ALA 288 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sqq n HIS 289 N 0.00 0.63 -1.72 0.00 8.25 -1.26 -4.78 115.22 116.35 1sqq n HIS 289 Ca 0.00 -0.31 -0.38 0.00 -0.26 0.00 0.00 57.72 56.76 1sqq n HIS 289 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1sqq n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sqq n LEU 290 N 1.14 5.29 0.12 2.41 4.77 -0.32 -4.94 117.00 125.47 1sqq n LEU 290 Ca 0.19 0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 56.95 1sqq n LEU 290 Cb 0.49 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 1sqq n LEU 290 CO 0.14 -0.89 0.68 0.28 -1.33 0.00 0.00 177.39 176.26 1sqq h SER 291 N 1.08 -0.24 -2.55 -1.43 0.02 -1.91 -3.42 113.55 105.10 1sqq h SER 291 Ca -0.50 -0.14 -0.54 0.00 -0.84 0.00 0.00 61.79 59.76 1sqq h SER 291 Cb 1.32 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1sqq h SER 291 CO 0.55 0.01 1.13 -0.55 -1.14 0.00 0.00 176.83 176.82 1sqq s SER 292 N -5.11 6.61 0.26 3.07 0.15 -1.26 -4.86 113.70 112.55 1sqq s SER 292 Ca -0.15 2.33 -0.02 0.00 0.70 0.00 0.00 55.95 58.82 1sqq s SER 292 Cb 0.03 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.31 1sqq s SER 292 CO 0.62 -0.97 1.77 -0.65 1.20 0.00 0.00 173.24 175.21 1sqq h PRO 293 N 9.83 0.64 -0.35 5.44 0.11 -1.86 0.14 132.00 145.95 1sqq h PRO 293 Ca -0.42 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1sqq h PRO 293 Cb 1.19 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1sqq h PRO 293 CO 0.95 0.42 0.13 1.25 -0.21 0.00 0.00 178.00 180.54 1sqq h LEU 294 N 0.66 0.15 -0.27 2.35 5.85 -1.90 -0.26 115.31 121.89 1sqq h LEU 294 Ca 0.44 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 1sqq h LEU 294 Cb 0.58 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1sqq h LEU 294 CO -0.33 0.12 0.08 0.00 -0.34 0.00 0.00 178.44 177.97 1sqq h ALA 295 N 1.21 0.35 0.06 1.25 0.00 -1.64 -0.50 119.26 120.01 1sqq h ALA 295 Ca 0.15 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sqq h ALA 295 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1sqq h ALA 295 CO -0.15 -0.01 -0.48 1.03 0.00 0.00 0.00 179.25 179.64 1sqq h SER 296 N 0.27 -1.44 -0.30 0.00 0.87 -0.32 -1.56 113.55 111.08 1sqq h SER 296 Ca 0.09 0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 1sqq h SER 296 Cb 0.25 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1sqq h SER 296 CO -0.00 -0.51 -0.23 0.40 -0.53 0.00 0.00 176.83 175.96 1sqq h ILE 297 N -0.67 1.27 -0.58 2.23 2.04 -0.79 -1.16 117.51 119.85 1sqq h ILE 297 Ca 0.02 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.59 1sqq h ILE 297 Cb 0.71 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1sqq h ILE 297 CO -0.30 0.45 0.30 0.00 0.00 0.00 0.00 178.15 178.60 1sqq h ALA 298 N 1.06 0.76 -0.02 1.87 0.00 -1.01 0.98 119.26 122.90 1sqq h ALA 298 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1sqq h ALA 298 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sqq h ALA 298 CO 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1sqq h ALA 299 N 1.31 0.03 0.11 0.00 0.00 -0.62 1.00 119.26 121.10 1sqq h ALA 299 Ca 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sqq h ALA 299 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sqq h ALA 299 CO -0.18 -0.11 -0.05 1.79 0.00 0.00 0.00 179.25 180.70 1sqq h THR 300 N -0.52 0.93 -0.33 0.00 1.35 -1.09 -2.86 112.91 110.38 1sqq h THR 300 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1sqq h THR 300 Cb 0.69 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1sqq h THR 300 CO 0.01 0.04 0.00 0.59 -0.25 0.00 0.00 175.52 175.91 1sqq n ASN 301 N -5.13 3.68 -3.76 5.36 3.02 0.33 -4.96 115.26 113.80 1sqq n ASN 301 Ca -0.08 -2.52 -0.27 0.00 -0.03 0.00 0.00 54.58 51.68 1sqq n ASN 301 Cb 0.11 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 1sqq n ASN 301 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sqq n LYS 302 N 0.37 -1.15 -0.48 3.52 5.02 -0.51 -4.86 118.16 120.07 1sqq n LYS 302 Ca 0.16 0.52 0.09 0.00 -2.02 0.00 0.00 58.31 57.06 1sqq n LYS 302 Cb 0.78 -2.00 0.30 0.00 -0.02 0.00 0.00 35.03 34.09 1sqq n LYS 302 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sqq n LEU 303 N -2.91 4.20 0.00 -0.35 4.77 0.23 -5.01 117.00 117.93 1sqq n LEU 303 Ca -0.25 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1sqq n LEU 303 Cb 0.60 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sqq n LEU 303 CO 0.60 0.80 0.00 0.00 -1.33 0.00 0.00 177.39 177.46 1sqq n GLN 305 N -0.64 0.88 -3.85 0.00 -0.06 -0.16 -4.90 117.38 108.64 1sqq n GLN 305 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 1sqq n GLN 305 Cb 0.00 -0.78 -0.07 0.00 -4.06 0.00 0.00 30.24 25.32 1sqq n GLN 305 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1sqq s SER 306 N -3.01 0.11 0.23 1.69 1.04 -1.23 -0.81 113.70 111.72 1sqq s SER 306 Ca 0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1sqq s SER 306 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1sqq s SER 306 CO 0.00 -0.73 0.15 0.72 0.98 0.00 0.00 173.24 174.37 1sqq s PHE 307 N -3.84 1.31 -0.18 5.02 -0.71 -0.78 -1.48 117.98 117.32 1sqq s PHE 307 Ca 0.05 -1.42 -0.13 0.00 -1.04 0.00 0.00 56.93 54.39 1sqq s PHE 307 Cb 0.05 -0.62 0.05 0.00 -1.21 0.00 0.00 43.02 41.29 1sqq s PHE 307 CO -0.11 -0.65 0.45 1.14 -1.34 0.00 0.00 175.22 174.70 1sqq s GLN 308 N -4.01 0.48 0.58 1.99 -2.07 -0.42 -1.71 119.66 114.49 1sqq s GLN 308 Ca 0.39 0.74 -0.14 0.00 -1.82 0.00 0.00 55.36 54.54 1sqq s GLN 308 Cb 0.06 0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1sqq s GLN 308 CO 0.15 -0.11 1.01 0.95 -1.32 0.00 0.00 175.29 175.97 1sqq s THR 309 N 0.88 4.55 0.12 3.63 -4.23 -0.78 -1.00 115.64 118.81 1sqq s THR 309 Ca -0.05 1.01 -0.13 0.00 -1.18 0.00 0.00 61.69 61.34 1sqq s THR 309 Cb -0.06 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1sqq s THR 309 CO -0.07 -0.90 0.32 0.72 -0.54 0.00 0.00 174.62 174.14 1sqq s PHE 310 N -2.90 0.00 -0.42 3.99 -0.12 0.88 -4.92 117.98 114.49 1sqq s PHE 310 Ca 0.57 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.14 1sqq s PHE 310 Cb -0.11 0.12 0.20 0.00 -0.63 0.00 0.00 43.02 42.60 1sqq s PHE 310 CO 0.43 -0.66 0.43 -1.71 -0.05 0.00 0.00 175.22 173.67 1sqq n ASN 311 N -0.17 0.04 -4.78 1.98 5.15 -1.26 -2.40 115.26 113.81 1sqq n ASN 311 Ca -0.14 -2.57 -0.36 0.00 -0.60 0.00 0.00 54.58 50.91 1sqq n ASN 311 Cb 0.63 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 1sqq n ASN 311 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sqq s ILE 312 N -0.58 3.72 -0.27 -1.44 1.01 0.11 -4.93 121.20 118.81 1sqq s ILE 312 Ca 0.34 1.27 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 1sqq s ILE 312 Cb 0.09 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 39.07 1sqq s ILE 312 CO -0.16 -0.04 0.29 0.00 0.00 0.00 0.00 174.94 175.04 1sqq s TYR 314 N 2.38 1.62 -0.19 0.00 1.51 0.61 -4.83 117.35 118.44 1sqq s TYR 314 Ca 0.09 -0.92 -0.29 0.00 -1.01 0.00 0.00 57.07 54.94 1sqq s TYR 314 Cb -0.14 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 1sqq s TYR 314 CO -0.28 -0.24 1.95 0.00 -1.11 0.00 0.00 175.55 175.87 1sqq s ALA 315 N -2.84 3.06 0.00 3.71 0.00 -1.26 -2.46 121.76 121.97 1sqq s ALA 315 Ca 0.20 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1sqq s ALA 315 Cb -0.01 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1sqq s ALA 315 CO 0.13 -2.31 0.00 -0.25 0.00 0.00 0.00 175.76 173.33 1sqq n ASP 316 N 9.82 -4.84 -3.22 0.00 9.92 -1.26 -4.88 116.55 122.10 1sqq n ASP 316 Ca 0.24 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.44 1sqq n ASP 316 Cb 0.45 -2.75 0.02 0.00 -0.64 0.00 0.00 41.12 38.19 1sqq n ASP 316 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1sqq s THR 317 N -1.27 0.00 -0.23 -3.53 -1.32 -1.15 -4.60 115.64 103.54 1sqq s THR 317 Ca 0.00 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1sqq s THR 317 Cb 0.00 -2.74 0.16 0.00 -1.51 0.00 0.00 72.50 68.41 1sqq s THR 317 CO 0.00 0.00 1.21 -0.83 -2.21 0.00 0.00 174.62 172.79 1sqq s GLY 318 N -3.17 -0.09 -0.21 6.08 0.00 -1.19 -0.29 107.32 108.46 1sqq s GLY 318 Ca 0.17 2.39 -0.04 0.00 0.00 0.00 0.00 44.72 47.24 1sqq s GLY 318 CO 0.08 1.01 -0.03 1.08 0.00 0.00 0.00 173.10 175.24 1sqq s LEU 319 N -1.19 3.01 -0.25 0.66 1.43 0.38 -0.34 118.68 122.38 1sqq s LEU 319 Ca 0.05 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1sqq s LEU 319 Cb -0.01 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.51 1sqq s LEU 319 CO -0.04 0.02 -0.08 -0.22 0.23 0.00 0.00 176.35 176.26 1sqq s LEU 320 N 1.22 3.04 0.00 1.79 2.96 0.08 0.04 118.68 127.82 1sqq s LEU 320 Ca 0.03 -1.30 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 1sqq s LEU 320 Cb -0.14 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.17 1sqq s LEU 320 CO -0.01 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1sqq n GLY 321 N 4.54 -0.24 3.26 7.98 0.00 -1.01 -0.40 105.19 119.32 1sqq n GLY 321 Ca -0.13 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1sqq n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq s ALA 322 N -1.00 -0.81 0.01 4.61 0.00 -0.75 -0.09 121.76 123.73 1sqq s ALA 322 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1sqq s ALA 322 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1sqq s ALA 322 CO 0.00 -0.32 -0.15 -1.58 0.00 0.00 0.00 175.76 173.71 1sqq s HIS 323 N -1.76 1.31 0.16 0.00 5.04 -0.17 -1.74 115.29 118.14 1sqq s HIS 323 Ca -0.10 -0.28 -0.06 0.00 -1.54 0.00 0.00 55.06 53.07 1sqq s HIS 323 Cb -0.03 -0.82 -0.02 0.00 0.04 0.00 0.00 32.58 31.74 1sqq s HIS 323 CO 0.02 0.00 0.22 -0.59 -2.34 0.00 0.00 174.74 172.05 1sqq s PHE 324 N -0.51 0.58 -0.05 3.88 -0.12 0.21 -1.30 117.98 120.67 1sqq s PHE 324 Ca 0.05 -0.94 0.02 0.00 -0.05 0.00 0.00 56.93 56.01 1sqq s PHE 324 Cb -0.06 -0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1sqq s PHE 324 CO 0.00 -0.67 -0.09 0.08 -0.05 0.00 0.00 175.22 174.49 1sqq s VAL 325 N -4.01 0.85 0.23 -2.49 1.01 -0.55 -1.22 120.40 114.23 1sqq s VAL 325 Ca 0.21 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1sqq s VAL 325 Cb 0.05 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.66 1sqq s VAL 325 CO 0.02 0.29 0.70 0.00 0.00 0.00 0.00 175.10 176.11 1sqq n ASP 327 N -0.43 1.25 -0.47 0.00 4.64 -1.26 -1.10 116.55 119.18 1sqq n ASP 327 Ca -0.08 1.13 0.38 0.00 -1.38 0.00 0.00 54.79 54.84 1sqq n ASP 327 Cb 0.61 -1.31 0.68 0.00 -1.04 0.00 0.00 41.12 40.06 1sqq n ASP 327 CO 0.00 0.00 0.00 1.12 -0.82 0.00 0.00 177.20 177.50 1sqq h HIS 328 N 1.83 0.38 0.00 -0.67 2.07 -1.80 -1.83 115.15 115.13 1sqq h HIS 328 Ca -0.41 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 1sqq h HIS 328 Cb 1.34 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1sqq h HIS 328 CO 0.46 -0.12 0.00 -1.33 -3.07 0.00 0.00 177.93 173.87 1sqq n MET 329 N -4.49 0.65 0.00 5.12 2.81 -1.26 -4.06 117.12 115.89 1sqq n MET 329 Ca 0.36 0.01 0.05 0.00 -1.81 0.00 0.00 57.70 56.31 1sqq n MET 329 Cb 1.46 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 32.50 1sqq n MET 329 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1sqq n SER 330 N -1.17 1.65 0.11 7.83 7.64 -0.69 -4.62 113.62 124.38 1sqq n SER 330 Ca 0.18 -1.33 -0.02 0.00 1.01 0.00 0.00 58.87 58.71 1sqq n SER 330 Cb 0.18 0.17 0.21 0.00 -1.01 0.00 0.00 64.21 63.76 1sqq n SER 330 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1sqq h ILE 331 N 1.76 1.35 0.50 0.44 2.04 -1.70 -1.36 117.51 120.53 1sqq h ILE 331 Ca 0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1sqq h ILE 331 Cb 0.41 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1sqq h ILE 331 CO 0.00 0.50 -0.24 -0.78 0.00 0.00 0.00 178.15 177.63 1sqq h ASP 332 N 0.13 -0.57 -0.74 1.72 1.82 -1.82 -0.92 116.42 116.04 1sqq h ASP 332 Ca 0.00 0.02 0.16 0.00 -0.39 0.00 0.00 57.03 56.83 1sqq h ASP 332 Cb 0.91 0.15 -0.11 0.00 0.68 0.00 0.00 39.33 40.96 1sqq h ASP 332 CO 0.07 -0.18 0.17 0.44 -1.61 0.00 0.00 179.24 178.14 1sqq h ASP 333 N -1.13 -0.01 -0.64 2.28 3.45 -1.83 0.47 116.42 119.01 1sqq h ASP 333 Ca -0.07 0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 1sqq h ASP 333 Cb 0.51 0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1sqq h ASP 333 CO 0.11 -0.05 0.33 -0.03 -1.57 0.00 0.00 179.24 178.03 1sqq h MET 334 N 0.26 0.91 -0.19 3.56 4.05 -1.24 -0.95 114.93 121.33 1sqq h MET 334 Ca 0.42 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.76 1sqq h MET 334 Cb 0.73 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.32 1sqq h MET 334 CO -0.53 0.71 -0.07 1.98 0.23 0.00 0.00 176.91 179.24 1sqq h MET 335 N 0.88 -0.03 -0.74 0.39 1.85 0.47 -2.15 114.93 115.60 1sqq h MET 335 Ca 0.22 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.43 1sqq h MET 335 Cb 0.08 0.01 -0.08 0.00 0.43 0.00 0.00 31.60 32.03 1sqq h MET 335 CO -0.03 -0.02 0.35 0.35 -0.40 0.00 0.00 176.91 177.15 1sqq h PHE 336 N -0.03 0.61 0.20 1.39 3.57 0.31 -1.86 116.94 121.13 1sqq h PHE 336 Ca 0.10 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.29 1sqq h PHE 336 Cb 0.17 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 38.77 1sqq h PHE 336 CO -0.23 0.17 -1.63 0.28 -2.23 0.00 0.00 178.31 174.68 1sqq h VAL 337 N 0.56 1.09 -0.02 1.41 2.07 -1.23 -1.16 116.25 118.96 1sqq h VAL 337 Ca 0.38 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1sqq h VAL 337 Cb 0.47 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1sqq h VAL 337 CO -0.32 0.84 0.00 0.25 0.02 0.00 0.00 177.57 178.36 1sqq h LEU 338 N 0.12 -0.01 -0.80 2.57 5.85 -1.08 -0.33 115.31 121.63 1sqq h LEU 338 Ca -0.30 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.49 1sqq h LEU 338 Cb 2.12 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.09 1sqq h LEU 338 CO 0.21 -0.00 0.48 1.56 -0.34 0.00 0.00 178.44 180.35 1sqq h GLN 339 N 0.01 0.84 -0.27 1.25 4.20 -1.20 -2.17 115.11 117.77 1sqq h GLN 339 Ca 0.01 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1sqq h GLN 339 Cb 0.01 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1sqq h GLN 339 CO -0.02 0.56 -0.28 0.78 -0.67 0.00 0.00 178.83 179.20 1sqq h GLY 340 N 0.87 0.58 0.69 3.46 0.00 -0.81 -1.33 103.07 106.53 1sqq h GLY 340 Ca 0.36 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1sqq h GLY 340 CO -0.18 0.45 -0.29 1.46 0.00 0.00 0.00 176.54 177.98 1sqq h GLN 341 N 0.47 -0.59 -0.93 4.80 1.08 -0.54 -1.19 115.11 118.22 1sqq h GLN 341 Ca 0.06 0.04 0.25 0.00 -1.45 0.00 0.00 58.65 57.56 1sqq h GLN 341 Cb 0.72 0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 28.15 1sqq h GLN 341 CO 0.06 -0.39 0.41 -1.49 -0.95 0.00 0.00 178.83 176.47 1sqq h TRP 342 N -0.61 0.67 0.13 2.96 6.55 -0.80 -0.86 115.95 123.99 1sqq h TRP 342 Ca -0.01 0.04 -0.25 0.00 0.95 0.00 0.00 58.89 59.62 1sqq h TRP 342 Cb 0.56 -0.15 0.01 0.00 -0.86 0.00 0.00 29.16 28.72 1sqq h TRP 342 CO -0.17 -0.11 -1.22 0.52 -1.05 0.00 0.00 178.44 176.40 1sqq h MET 343 N 0.35 0.28 -0.92 0.49 2.86 -1.13 0.85 114.93 117.70 1sqq h MET 343 Ca 0.61 -0.48 0.24 0.00 -2.06 0.00 0.00 59.70 58.02 1sqq h MET 343 Cb 1.25 0.18 -0.13 0.00 0.06 0.00 0.00 31.60 32.95 1sqq h MET 343 CO -0.58 1.23 0.42 -0.09 1.06 0.00 0.00 176.91 178.94 1sqq h ARG 344 N -0.30 0.36 -0.11 1.72 2.43 -0.88 -0.89 114.38 116.70 1sqq h ARG 344 Ca -0.25 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.69 1sqq h ARG 344 Cb 1.74 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1sqq h ARG 344 CO 0.10 0.24 -0.78 -0.07 -1.51 0.00 0.00 179.97 177.96 1sqq h LEU 345 N 0.37 0.74 -1.36 3.80 3.38 -0.97 0.59 115.31 121.86 1sqq h LEU 345 Ca 0.60 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1sqq h LEU 345 Cb 1.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1sqq h LEU 345 CO -0.56 1.27 0.44 0.00 0.09 0.00 0.00 178.44 179.69 1sqq n THR 347 N -4.45 1.06 -2.24 0.00 -2.24 -0.53 -4.56 114.28 101.32 1sqq n THR 347 Ca 0.08 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1sqq n THR 347 Cb 0.08 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1sqq n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sqq n SER 348 N -2.97 0.39 -4.51 3.42 3.41 0.20 -5.05 113.62 108.51 1sqq n SER 348 Ca -0.32 -1.93 -0.58 0.00 -0.26 0.00 0.00 58.87 55.78 1sqq n SER 348 Cb 0.87 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.55 1sqq n SER 348 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq n ALA 349 N 0.24 -3.35 -2.64 7.33 0.00 -0.97 -4.88 120.51 116.24 1sqq n ALA 349 Ca 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 53.44 53.79 1sqq n ALA 349 Cb 0.91 -1.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 1sqq n ALA 349 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sqq s THR 350 N 0.03 3.47 0.25 0.00 -4.23 -1.26 -4.87 115.64 109.02 1sqq s THR 350 Ca 0.90 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1sqq s THR 350 Cb -1.23 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 70.02 1sqq s THR 350 CO 0.56 -0.32 1.89 -0.08 -0.54 0.00 0.00 174.62 176.12 1sqq h GLU 351 N 2.06 1.12 0.39 3.99 4.57 -1.96 -2.92 114.58 121.83 1sqq h GLU 351 Ca -0.45 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1sqq h GLU 351 Cb 1.24 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1sqq h GLU 351 CO 0.60 0.74 -0.19 1.03 -1.18 0.00 0.00 179.01 180.01 1sqq h SER 352 N 1.15 -0.44 -0.70 1.04 0.87 -2.00 -2.35 113.55 111.13 1sqq h SER 352 Ca 0.38 -0.12 0.18 0.00 -1.23 0.00 0.00 61.79 61.00 1sqq h SER 352 Cb 0.05 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1sqq h SER 352 CO -0.14 -0.09 0.49 1.05 -0.53 0.00 0.00 176.83 177.61 1sqq h GLU 353 N -0.84 0.15 -0.15 2.24 4.11 -1.99 0.52 114.58 118.62 1sqq h GLU 353 Ca -0.05 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1sqq h GLU 353 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1sqq h GLU 353 CO 0.09 0.10 -0.48 0.28 0.07 0.00 0.00 179.01 179.07 1sqq h VAL 354 N 0.16 1.33 -0.20 -1.06 2.07 -1.27 -1.58 116.25 115.69 1sqq h VAL 354 Ca 0.34 -1.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.06 1sqq h VAL 354 Cb 1.12 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1sqq h VAL 354 CO -0.05 0.51 -0.35 0.25 0.02 0.00 0.00 177.57 177.95 1sqq h LEU 355 N 0.30 0.44 0.30 2.57 5.85 -0.40 0.52 115.31 124.90 1sqq h LEU 355 Ca 0.02 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1sqq h LEU 355 Cb 0.95 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1sqq h LEU 355 CO 0.08 0.76 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.71 1sqq h ARG 356 N 0.36 -0.39 0.00 1.25 2.43 -0.66 -0.21 114.38 117.16 1sqq h ARG 356 Ca 0.04 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1sqq h ARG 356 Cb 0.79 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1sqq h ARG 356 CO 0.06 -0.26 0.00 0.41 -1.51 0.00 0.00 179.97 178.67 1sqq n GLY 357 N -0.32 0.00 0.34 2.80 0.00 -0.66 -0.32 105.19 107.04 1sqq n GLY 357 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1sqq n GLY 357 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqq h LYS 358 N 0.00 0.86 -0.10 1.61 1.57 -0.44 -2.11 116.57 117.96 1sqq h LYS 358 Ca 0.00 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1sqq h LYS 358 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1sqq h LYS 358 CO 0.00 0.57 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.29 1sqq h ASN 359 N 0.88 0.38 -0.99 0.86 -0.26 0.96 -1.55 115.58 115.86 1sqq h ASN 359 Ca 0.26 -0.59 0.19 0.00 -0.56 0.00 0.00 56.30 55.60 1sqq h ASN 359 Cb -0.03 -0.11 -0.11 0.00 -1.06 0.00 0.00 38.32 37.01 1sqq h ASN 359 CO -0.07 0.90 0.59 -0.07 -1.06 0.00 0.00 177.43 177.73 1sqq h LEU 360 N -0.11 0.76 0.38 1.61 3.38 -0.23 0.26 115.31 121.35 1sqq h LEU 360 Ca -0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1sqq h LEU 360 Cb 0.85 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1sqq h LEU 360 CO 0.05 0.27 -0.18 0.25 0.09 0.00 0.00 178.44 178.92 1sqq h LEU 361 N 0.75 -0.43 -0.94 1.67 5.85 -1.22 0.33 115.31 121.33 1sqq h LEU 361 Ca 0.57 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.31 1sqq h LEU 361 Cb 0.87 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 1sqq h LEU 361 CO -0.38 -0.14 0.57 0.03 -0.34 0.00 0.00 178.44 178.17 1sqq h ARG 362 N -0.73 0.86 -0.49 1.25 3.08 -0.87 0.22 114.38 117.71 1sqq h ARG 362 Ca -0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1sqq h ARG 362 Cb 0.50 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1sqq h ARG 362 CO 0.09 0.57 0.11 -0.91 -1.07 0.00 0.00 179.97 178.75 1sqq h ASN 363 N 0.89 0.75 -0.46 7.04 2.35 -0.27 -2.43 115.58 123.46 1sqq h ASN 363 Ca 0.47 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 1sqq h ASN 363 Cb 0.49 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1sqq h ASN 363 CO -0.28 0.80 0.28 0.00 -1.65 0.00 0.00 177.43 176.59 1sqq h ALA 364 N 0.98 0.58 -0.18 -0.83 0.00 0.74 -1.52 119.26 119.02 1sqq h ALA 364 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 364 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sqq h ALA 364 CO 0.00 -0.02 -0.12 1.25 0.00 0.00 0.00 179.25 180.36 1sqq h LEU 365 N 0.57 0.42 -0.53 0.00 5.85 -0.46 -0.59 115.31 120.58 1sqq h LEU 365 Ca 0.18 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.30 1sqq h LEU 365 Cb -0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1sqq h LEU 365 CO -0.07 0.77 -0.51 0.58 -0.34 0.00 0.00 178.44 178.88 1sqq h VAL 366 N 0.08 1.31 -0.37 1.05 2.07 -1.48 -2.18 116.25 116.72 1sqq h VAL 366 Ca 0.04 -1.73 -0.15 0.00 0.82 0.00 0.00 66.70 65.67 1sqq h VAL 366 Cb 0.63 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1sqq h VAL 366 CO 0.03 0.54 -0.38 0.28 0.02 0.00 0.00 177.57 178.07 1sqq h SER 367 N 0.47 0.95 -0.56 0.57 0.02 -1.08 -3.07 113.55 110.86 1sqq h SER 367 Ca 0.02 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1sqq h SER 367 Cb 1.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1sqq h SER 367 CO 0.10 1.21 0.24 -0.74 -1.14 0.00 0.00 176.83 176.50 1sqq h HIS 368 N 0.73 0.83 0.00 3.45 6.17 -0.96 -3.28 115.15 122.10 1sqq h HIS 368 Ca 0.06 -0.05 -0.50 0.00 0.71 0.00 0.00 60.37 60.59 1sqq h HIS 368 Cb 0.96 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1sqq h HIS 368 CO 0.06 0.66 2.50 1.28 0.71 0.00 0.00 177.93 183.14 1sqq n LEU 369 N -4.53 7.31 -3.55 0.26 4.77 -0.83 -4.80 117.00 115.63 1sqq n LEU 369 Ca 0.03 -3.84 -0.25 0.00 -0.03 0.00 0.00 56.01 51.91 1sqq n LEU 369 Cb 0.14 -1.46 -0.15 0.00 -2.33 0.00 0.00 43.42 39.63 1sqq n LEU 369 CO 0.38 1.81 -0.30 -0.62 -1.33 0.00 0.00 177.39 177.33 1sqq s ASP 370 N 2.24 2.51 0.00 -1.43 3.68 -1.24 -4.87 116.67 117.56 1sqq s ASP 370 Ca 0.65 -0.77 0.00 0.00 2.13 0.00 0.00 52.55 54.56 1sqq s ASP 370 Cb 0.21 -0.11 0.00 0.00 -1.45 0.00 0.00 42.92 41.57 1sqq s ASP 370 CO -0.04 -0.38 0.00 0.61 0.13 0.00 0.00 175.17 175.49 1sqq n GLY 371 N 5.28 3.33 0.19 2.66 0.00 -1.26 -4.78 105.19 110.61 1sqq n GLY 371 Ca -0.06 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 1sqq n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sqq h THR 372 N 0.00 0.94 0.00 2.61 1.35 -1.92 -2.14 112.91 113.75 1sqq h THR 372 Ca 0.00 -0.15 0.03 0.00 -0.55 0.00 0.00 66.41 65.74 1sqq h THR 372 Cb 0.00 0.48 -0.05 0.00 -1.73 0.00 0.00 68.15 66.84 1sqq h THR 372 CO 0.00 0.08 -0.39 0.74 -0.25 0.00 0.00 175.52 175.70 1sqq h THR 373 N 0.43 0.19 -1.01 6.82 2.02 -1.88 0.42 112.91 119.91 1sqq h THR 373 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1sqq h THR 373 Cb 0.13 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1sqq h THR 373 CO -0.15 0.00 0.65 -0.65 0.37 0.00 0.00 175.52 175.73 1sqq h PRO 374 N -0.55 1.09 -0.13 6.66 0.11 -1.84 -1.42 132.00 135.92 1sqq h PRO 374 Ca 0.05 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1sqq h PRO 374 Cb 0.63 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 31.50 1sqq h PRO 374 CO -0.30 0.72 -0.55 0.28 -0.21 0.00 0.00 178.00 177.94 1sqq h VAL 375 N 1.13 1.34 -0.39 3.15 2.07 -0.90 -1.08 116.25 121.57 1sqq h VAL 375 Ca 0.45 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 66.15 1sqq h VAL 375 Cb 0.26 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1sqq h VAL 375 CO -0.20 0.56 0.24 0.00 0.02 0.00 0.00 177.57 178.19 1sqq h GLU 377 N 0.49 0.95 -0.05 0.00 4.81 -1.19 -1.86 114.58 117.73 1sqq h GLU 377 Ca 0.15 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1sqq h GLU 377 Cb -0.02 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1sqq h GLU 377 CO -0.06 0.63 -0.30 0.22 -0.73 0.00 0.00 179.01 178.77 1sqq h ASP 378 N 0.98 0.08 0.00 1.04 3.58 0.03 0.28 116.42 122.42 1sqq h ASP 378 Ca 0.43 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1sqq h ASP 378 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1sqq h ASP 378 CO -0.22 0.39 0.00 -0.38 -2.88 0.00 0.00 179.24 176.15 1sqq n ILE 379 N -4.15 0.00 0.00 2.25 5.41 -0.40 -2.32 119.36 120.16 1sqq n ILE 379 Ca -0.02 0.74 0.00 0.00 1.00 0.00 0.00 62.75 64.47 1sqq n ILE 379 Cb 0.37 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 1sqq n ILE 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sqq n GLY 380 N 0.30 0.86 0.27 7.39 0.00 -1.09 -1.33 105.19 111.59 1sqq n GLY 380 Ca 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 1sqq n GLY 380 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sqq h ARG 381 N 0.00 0.91 -0.07 1.61 2.43 -0.53 -3.18 114.38 115.55 1sqq h ARG 381 Ca 0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1sqq h ARG 381 Cb 0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1sqq h ARG 381 CO 0.00 0.83 -0.00 0.77 -1.51 0.00 0.00 179.97 180.06 1sqq h SER 382 N 0.81 0.12 -0.93 -3.80 0.02 -0.89 -1.02 113.55 107.86 1sqq h SER 382 Ca 0.18 -0.33 0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1sqq h SER 382 Cb 0.32 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.73 1sqq h SER 382 CO -0.00 0.42 0.53 -0.07 -1.14 0.00 0.00 176.83 176.56 1sqq h LEU 383 N -0.19 0.66 -0.61 5.07 4.07 -1.23 1.07 115.31 124.17 1sqq h LEU 383 Ca 0.02 0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 1sqq h LEU 383 Cb 0.36 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1sqq h LEU 383 CO 0.00 0.26 0.03 -0.07 -1.08 0.00 0.00 178.44 177.58 1sqq h LEU 384 N 0.71 1.02 0.02 1.67 3.38 -1.24 -2.74 115.31 118.13 1sqq h LEU 384 Ca 0.52 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 1sqq h LEU 384 Cb 0.76 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1sqq h LEU 384 CO -0.37 1.06 -1.04 0.71 0.09 0.00 0.00 178.44 178.89 1sqq h THR 385 N 0.95 1.10 0.02 0.22 1.35 -0.35 -3.43 112.91 112.77 1sqq h THR 385 Ca 0.18 -2.25 -0.37 0.00 -0.55 0.00 0.00 66.41 63.42 1sqq h THR 385 Cb 0.52 2.54 -0.06 0.00 -1.73 0.00 0.00 68.15 69.42 1sqq h THR 385 CO 0.03 0.44 -2.31 -1.22 -0.25 0.00 0.00 175.52 172.21 1sqq n TYR 386 N -4.37 0.26 0.00 4.73 0.53 0.36 -4.90 117.16 113.77 1sqq n TYR 386 Ca -0.27 0.07 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 1sqq n TYR 386 Cb 0.68 -1.04 0.00 0.00 -1.03 0.00 0.00 39.34 37.95 1sqq n TYR 386 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1sqq n GLY 387 N 1.98 2.93 3.92 2.72 0.00 -1.03 -5.01 105.19 110.70 1sqq n GLY 387 Ca -0.37 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1sqq n GLY 387 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqq s ARG 388 N 0.00 2.65 -0.25 1.61 3.00 -1.26 -4.83 118.95 119.87 1sqq s ARG 388 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 55.73 54.02 1sqq s ARG 388 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 34.95 32.44 1sqq s ARG 388 CO 0.00 -0.19 1.29 0.50 0.00 0.00 0.00 175.30 176.91 1sqq s ARG 389 N -4.18 4.03 -0.40 3.54 6.06 -1.26 -3.43 118.95 123.31 1sqq s ARG 389 Ca 0.49 1.41 -0.29 0.00 -2.50 0.00 0.00 55.73 54.84 1sqq s ARG 389 Cb -0.06 -3.84 0.01 0.00 0.06 0.00 0.00 34.95 31.13 1sqq s ARG 389 CO 0.29 -0.97 1.29 0.42 -2.50 0.00 0.00 175.30 173.83 1sqq s ILE 390 N 4.08 4.09 0.78 4.11 1.01 -1.26 -5.01 121.20 129.00 1sqq s ILE 390 Ca 0.56 1.15 -0.12 0.00 0.00 0.00 0.00 60.65 62.25 1sqq s ILE 390 Cb -0.19 -4.32 0.06 0.00 0.01 0.00 0.00 42.46 38.03 1sqq s ILE 390 CO 0.20 -0.74 1.10 -2.84 0.00 0.00 0.00 174.94 172.66 1sqq s PRO 391 N 4.52 2.22 0.22 2.79 0.02 -1.26 -4.82 135.00 138.70 1sqq s PRO 391 Ca 0.55 0.57 -0.03 0.00 0.02 0.00 0.00 61.00 62.11 1sqq s PRO 391 Cb -0.12 -1.94 0.22 0.00 0.02 0.00 0.00 34.50 32.68 1sqq s PRO 391 CO 0.29 -1.51 1.64 -0.07 -0.33 0.00 0.00 177.00 177.02 1sqq h LEU 392 N -1.01 0.73 -1.32 -5.54 3.38 -1.95 -2.05 115.31 107.57 1sqq h LEU 392 Ca -0.47 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1sqq h LEU 392 Cb 1.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1sqq h LEU 392 CO 0.61 0.94 0.12 0.00 0.09 0.00 0.00 178.44 180.20 1sqq h ALA 393 N 1.11 1.46 0.61 1.53 0.00 -1.92 -1.19 119.26 120.86 1sqq h ALA 393 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1sqq h ALA 393 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sqq h ALA 393 CO 0.06 0.40 -0.49 1.49 0.00 0.00 0.00 179.25 180.72 1sqq h GLU 394 N 0.58 -1.03 -0.99 0.00 4.81 -1.74 -2.12 114.58 114.10 1sqq h GLU 394 Ca 0.14 0.07 0.19 0.00 -0.13 0.00 0.00 59.36 59.62 1sqq h GLU 394 Cb 0.19 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 29.70 1sqq h GLU 394 CO -0.01 -0.69 0.61 -1.49 -0.73 0.00 0.00 179.01 176.71 1sqq h TRP 395 N -1.07 0.97 0.06 0.92 -0.00 -1.21 0.13 115.95 115.75 1sqq h TRP 395 Ca -0.08 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.85 1sqq h TRP 395 Cb 0.90 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.75 1sqq h TRP 395 CO -0.19 0.24 -0.10 1.49 -0.00 0.00 0.00 178.44 179.88 1sqq h GLU 396 N 0.71 -0.20 -0.52 0.49 4.57 -1.16 0.50 114.58 118.98 1sqq h GLU 396 Ca 0.55 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.80 1sqq h GLU 396 Cb 0.92 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 1sqq h GLU 396 CO -0.33 -0.13 0.23 1.03 -1.18 0.00 0.00 179.01 178.62 1sqq h SER 397 N -0.21 0.28 -0.16 1.04 0.87 -0.56 0.84 113.55 115.66 1sqq h SER 397 Ca 0.02 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 1sqq h SER 397 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1sqq h SER 397 CO -0.06 0.19 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.19 1sqq h ARG 398 N 0.44 0.55 0.37 2.24 2.43 -0.37 -1.75 114.38 118.28 1sqq h ARG 398 Ca 0.24 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1sqq h ARG 398 Cb 0.21 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sqq h ARG 398 CO -0.21 0.69 -0.18 0.82 -1.51 0.00 0.00 179.97 179.58 1sqq h ILE 399 N 0.50 0.59 -1.10 1.20 2.04 0.79 -3.26 117.51 118.27 1sqq h ILE 399 Ca 0.09 -0.53 0.34 0.00 1.00 0.00 0.00 64.86 65.76 1sqq h ILE 399 Cb 0.56 0.83 -0.13 0.00 -0.74 0.00 0.00 36.82 37.34 1sqq h ILE 399 CO 0.04 0.09 0.67 0.00 0.00 0.00 0.00 178.15 178.95 1sqq h ALA 400 N -0.35 2.24 0.00 1.87 0.00 0.81 -1.51 119.26 122.32 1sqq h ALA 400 Ca -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 400 Cb 0.53 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sqq h ALA 400 CO 0.08 -0.81 -0.12 0.93 0.00 0.00 0.00 179.25 179.33 1sqq h GLU 401 N 0.27 0.00 -6.27 0.00 5.08 -1.35 -3.42 114.58 108.88 1sqq h GLU 401 Ca 0.73 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.54 1sqq h GLU 401 Cb 1.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1sqq h GLU 401 CO -0.49 0.12 0.94 0.08 -1.00 0.00 0.00 179.01 178.66 1sqq s VAL 402 N -4.44 3.85 0.24 3.13 1.01 -0.57 -4.95 120.40 118.68 1sqq s VAL 402 Ca -0.04 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1sqq s VAL 402 Cb 0.14 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1sqq s VAL 402 CO 0.62 -0.06 0.11 -0.90 0.00 0.00 0.00 175.10 174.87 1sqq n ASP 403 N 6.33 2.15 -0.27 3.32 5.75 -1.26 -4.97 116.55 127.59 1sqq n ASP 403 Ca 0.15 -1.93 0.09 0.00 -0.01 0.00 0.00 54.79 53.08 1sqq n ASP 403 Cb 0.44 0.06 0.23 0.00 -1.03 0.00 0.00 41.12 40.81 1sqq n ASP 403 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sqq h ALA 404 N 0.88 1.13 -0.49 2.12 0.00 -1.87 -1.43 119.26 119.61 1sqq h ALA 404 Ca -0.17 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sqq h ALA 404 Cb 0.58 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sqq h ALA 404 CO 0.28 -0.35 0.26 -0.09 0.00 0.00 0.00 179.25 179.34 1sqq h ARG 405 N 0.30 0.69 -0.66 0.00 2.43 -1.97 0.15 114.38 115.31 1sqq h ARG 405 Ca 0.48 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.61 1sqq h ARG 405 Cb 0.86 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1sqq h ARG 405 CO -0.54 0.55 0.38 0.28 -1.51 0.00 0.00 179.97 179.13 1sqq h VAL 406 N 0.65 1.00 0.64 0.20 2.07 -1.80 0.69 116.25 119.70 1sqq h VAL 406 Ca 0.17 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1sqq h VAL 406 Cb 0.07 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1sqq h VAL 406 CO -0.03 0.13 -0.31 0.58 0.02 0.00 0.00 177.57 177.97 1sqq h VAL 407 N 0.71 0.29 0.00 2.57 2.07 -0.52 0.60 116.25 121.97 1sqq h VAL 407 Ca 0.29 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1sqq h VAL 407 Cb 0.15 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1sqq h VAL 407 CO -0.16 0.02 -0.26 0.08 0.02 0.00 0.00 177.57 177.27 1sqq h ARG 408 N -1.01 0.00 0.46 1.57 0.11 -0.69 0.50 114.38 115.31 1sqq h ARG 408 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1sqq h ARG 408 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1sqq h ARG 408 CO 0.14 0.26 -0.22 0.93 0.10 0.00 0.00 179.97 181.19 1sqq h GLU 409 N 0.00 -0.59 -0.01 0.08 5.08 -0.81 -2.21 114.58 116.13 1sqq h GLU 409 Ca -0.00 0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 1sqq h GLU 409 Cb 0.70 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1sqq h GLU 409 CO 0.03 -0.33 -0.81 0.28 -1.00 0.00 0.00 179.01 177.18 1sqq h VAL 410 N -0.74 1.50 -0.34 3.13 2.07 0.60 -1.12 116.25 121.36 1sqq h VAL 410 Ca -0.06 -2.54 -0.05 0.00 0.82 0.00 0.00 66.70 64.86 1sqq h VAL 410 Cb 0.53 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1sqq h VAL 410 CO 0.10 0.74 0.02 0.00 0.02 0.00 0.00 177.57 178.45 1sqq h SER 412 N 0.41 0.61 -0.99 0.00 0.02 -1.06 0.35 113.55 112.89 1sqq h SER 412 Ca 0.10 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.14 1sqq h SER 412 Cb 0.42 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 1sqq h SER 412 CO 0.01 0.42 0.63 0.50 -1.14 0.00 0.00 176.83 177.25 1sqq h LYS 413 N 0.74 1.05 0.01 3.45 3.64 -1.16 -1.79 116.57 122.50 1sqq h LYS 413 Ca 0.26 -0.06 -0.37 0.00 -1.27 0.00 0.00 60.65 59.21 1sqq h LYS 413 Cb 0.05 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 31.57 1sqq h LYS 413 CO -0.12 0.69 -2.35 0.66 -2.27 0.00 0.00 179.45 176.07 1sqq n TYR 414 N -4.57 0.15 -0.10 1.91 4.02 -0.88 -4.70 117.16 112.99 1sqq n TYR 414 Ca 0.16 0.04 -0.18 0.00 -0.01 0.00 0.00 57.90 57.91 1sqq n TYR 414 Cb 0.25 -1.02 -0.08 0.00 -0.02 0.00 0.00 39.34 38.46 1sqq n TYR 414 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1sqq n PHE 415 N -2.99 0.00 -1.79 -0.72 0.99 0.12 -4.75 117.46 108.31 1sqq n PHE 415 Ca -0.36 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.67 1sqq n PHE 415 Cb 1.09 -0.76 -0.03 0.00 -1.00 0.00 0.00 39.48 38.77 1sqq n PHE 415 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 1sqq s TYR 416 N -2.39 1.77 -1.19 1.38 5.04 -0.68 -3.17 117.35 118.11 1sqq s TYR 416 Ca -0.28 -0.12 -0.04 0.00 -2.44 0.00 0.00 57.07 54.19 1sqq s TYR 416 Cb 0.09 -4.12 -0.02 0.00 0.35 0.00 0.00 41.96 38.26 1sqq s TYR 416 CO 0.42 -4.82 0.87 -3.47 -1.34 0.00 0.00 175.55 167.20 1sqq n ASP 417 N 6.78 -3.29 -4.19 4.32 2.03 0.27 -4.91 116.55 117.55 1sqq n ASP 417 Ca 0.18 -0.75 -0.24 0.00 0.52 0.00 0.00 54.79 54.50 1sqq n ASP 417 Cb 0.41 -4.64 -0.15 0.00 -0.72 0.00 0.00 41.12 36.02 1sqq n ASP 417 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1sqq s GLN 418 N -5.36 1.32 -0.12 -0.67 -1.52 -1.19 -5.06 119.66 107.05 1sqq s GLN 418 Ca 0.17 -0.76 -0.29 0.00 -1.95 0.00 0.00 55.36 52.53 1sqq s GLN 418 Cb -0.03 -1.34 -0.02 0.00 -0.22 0.00 0.00 33.01 31.40 1sqq s GLN 418 CO 0.77 0.35 1.18 0.00 -0.25 0.00 0.00 175.29 177.34 1sqq s PRO 420 N 2.76 3.81 -0.05 0.00 0.04 -1.26 -4.73 135.00 135.57 1sqq s PRO 420 Ca 0.53 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1sqq s PRO 420 Cb -0.22 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1sqq s PRO 420 CO 0.17 0.01 1.04 0.00 0.04 0.00 0.00 177.00 178.26 1sqq s ALA 421 N -2.29 3.34 0.03 8.56 0.00 0.55 -2.96 121.76 128.98 1sqq s ALA 421 Ca 0.51 0.51 0.08 0.00 0.00 0.00 0.00 51.96 53.06 1sqq s ALA 421 Cb -0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1sqq s ALA 421 CO 0.29 -0.49 -0.22 0.08 0.00 0.00 0.00 175.76 175.42 1sqq s VAL 422 N 1.63 2.49 -0.04 0.00 1.01 -0.53 -0.60 120.40 124.37 1sqq s VAL 422 Ca 0.52 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1sqq s VAL 422 Cb -0.21 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1sqq s VAL 422 CO 0.23 0.39 0.07 0.00 0.00 0.00 0.00 175.10 175.79 1sqq s ALA 423 N -0.83 -0.04 0.18 5.51 0.00 0.11 -1.67 121.76 125.02 1sqq s ALA 423 Ca 0.13 0.43 0.09 0.00 0.00 0.00 0.00 51.96 52.61 1sqq s ALA 423 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1sqq s ALA 423 CO 0.03 -0.12 -0.18 0.20 0.00 0.00 0.00 175.76 175.69 1sqq s GLY 424 N 1.08 1.45 -0.28 0.00 0.00 0.28 -1.19 107.32 108.65 1sqq s GLY 424 Ca -0.09 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1sqq s GLY 424 CO -0.04 -1.63 0.80 -0.12 0.00 0.00 0.00 173.10 172.11 1sqq s PHE 425 N -2.29 -0.86 0.00 1.90 5.99 -0.93 -1.55 117.98 120.25 1sqq s PHE 425 Ca 0.19 1.77 0.00 0.00 0.00 0.00 0.00 56.93 58.89 1sqq s PHE 425 Cb -0.05 0.49 0.00 0.00 0.00 0.00 0.00 43.02 43.47 1sqq s PHE 425 CO 0.07 -0.42 0.00 0.41 -0.00 0.00 0.00 175.22 175.28 1sqq n GLY 426 N 3.80 -0.02 3.54 13.12 0.00 -0.99 -0.88 105.19 123.76 1sqq n GLY 426 Ca -0.18 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 1sqq n GLY 426 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqq s PRO 427 N 0.00 3.99 -0.14 1.61 0.05 -1.22 -0.94 135.00 138.34 1sqq s PRO 427 Ca 0.00 -2.12 0.16 0.00 0.05 0.00 0.00 61.00 59.08 1sqq s PRO 427 Cb 0.00 -5.36 0.43 0.00 0.05 0.00 0.00 34.50 29.62 1sqq s PRO 427 CO 0.00 -2.09 1.33 0.44 0.05 0.00 0.00 177.00 176.73 1sqq n ILE 428 N 5.84 1.98 -0.32 0.56 -5.35 -1.26 -4.44 119.36 116.37 1sqq n ILE 428 Ca 0.43 -1.80 0.27 0.00 -0.27 0.00 0.00 62.75 61.39 1sqq n ILE 428 Cb 0.45 -0.12 0.51 0.00 -1.74 0.00 0.00 39.64 38.75 1sqq n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1sqq h GLU 429 N 1.41 0.07 -0.06 6.28 4.81 -1.91 -0.79 114.58 124.39 1sqq h GLU 429 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sqq h GLU 429 Cb 1.22 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sqq h GLU 429 CO 0.14 0.04 0.00 0.94 -0.73 0.00 0.00 179.01 179.40 1sqq n GLN 430 N -5.26 2.33 -1.69 1.92 7.27 -1.26 -4.88 117.38 115.81 1sqq n GLN 430 Ca 0.34 -1.94 -0.43 0.00 0.07 0.00 0.00 57.00 55.04 1sqq n GLN 430 Cb 1.14 -1.46 -0.03 0.00 2.41 0.00 0.00 30.24 32.29 1sqq n GLN 430 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sqq n LEU 431 N 1.34 3.83 -4.60 1.69 7.94 -0.31 -4.19 117.00 122.70 1sqq n LEU 431 Ca 0.15 1.01 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 1sqq n LEU 431 Cb 0.60 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1sqq n LEU 431 CO 0.15 0.08 0.56 -2.65 -1.11 0.00 0.00 177.39 174.42 1sqq n PRO 432 N 5.09 1.34 -1.54 1.96 -0.02 -1.26 -4.98 135.00 135.59 1sqq n PRO 432 Ca 0.18 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 1sqq n PRO 432 Cb 0.35 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1sqq n PRO 432 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sqq n ASP 433 N 0.79 -0.09 -0.36 2.55 -0.08 -1.26 -4.75 116.55 113.35 1sqq n ASP 433 Ca 0.09 0.81 -0.02 0.00 -1.51 0.00 0.00 54.79 54.16 1sqq n ASP 433 Cb 0.37 -1.27 0.11 0.00 2.34 0.00 0.00 41.12 42.67 1sqq n ASP 433 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1sqq h TYR 434 N 0.54 1.22 -0.96 -0.67 3.20 -1.99 0.94 116.97 119.26 1sqq h TYR 434 Ca -0.46 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.58 1sqq h TYR 434 Cb 1.38 -0.41 -0.09 0.00 1.54 0.00 0.00 36.73 39.15 1sqq h TYR 434 CO 0.35 0.76 0.58 -0.91 -1.64 0.00 0.00 178.16 177.31 1sqq h ASN 435 N 1.31 0.81 0.46 -2.11 2.35 -1.98 0.35 115.58 116.77 1sqq h ASN 435 Ca 0.36 0.07 -0.30 0.00 -0.55 0.00 0.00 56.30 55.87 1sqq h ASN 435 Cb -0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1sqq h ASN 435 CO -0.08 0.39 -1.53 0.03 -1.65 0.00 0.00 177.43 174.58 1sqq h ARG 436 N 0.86 0.24 -0.55 0.81 3.08 -1.26 0.34 114.38 117.89 1sqq h ARG 436 Ca 0.50 -0.41 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1sqq h ARG 436 Cb 0.60 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 1sqq h ARG 436 CO -0.31 1.10 -0.01 0.82 -1.07 0.00 0.00 179.97 180.50 1sqq h ILE 437 N 0.07 0.54 -0.08 2.04 2.04 -0.88 -1.65 117.51 119.60 1sqq h ILE 437 Ca -0.24 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1sqq h ILE 437 Cb 2.01 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1sqq h ILE 437 CO 0.16 0.02 -0.37 -0.09 0.00 0.00 0.00 178.15 177.86 1sqq h ARG 438 N 0.10 0.16 0.00 2.37 9.65 0.16 -1.11 114.38 125.70 1sqq h ARG 438 Ca 0.28 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1sqq h ARG 438 Cb 0.44 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1sqq h ARG 438 CO -0.48 0.51 -0.20 1.03 2.80 0.00 0.00 179.97 183.63 1sqq h SER 439 N 0.13 0.00 0.00 -3.80 0.87 0.16 -2.28 113.55 108.63 1sqq h SER 439 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sqq h SER 439 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1sqq h SER 439 CO 0.05 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.17 1sqq n GLY 440 N 1.10 -0.90 0.96 5.77 0.00 -0.42 -3.34 105.19 108.36 1sqq n GLY 440 Ca 0.03 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1sqq n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sqq n MET 441 N -0.82 2.23 -3.84 1.61 2.00 -0.86 -4.78 117.12 112.67 1sqq n MET 441 Ca 0.14 -1.89 -0.10 0.00 0.00 0.00 0.00 57.70 55.85 1sqq n MET 441 Cb 0.06 -1.45 -0.08 0.00 0.00 0.00 0.00 33.22 31.76 1sqq n MET 441 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1sqq s PHE 442 N -1.45 0.08 -0.18 2.03 -0.71 -1.21 -0.57 117.98 115.98 1sqq s PHE 442 Ca 0.37 -0.39 -0.05 0.00 -1.04 0.00 0.00 56.93 55.82 1sqq s PHE 442 Cb 0.20 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1sqq s PHE 442 CO 0.27 -0.49 -0.01 -1.58 -1.34 0.00 0.00 175.22 172.07 1sqq s TRP 443 N -3.16 3.05 0.40 3.49 0.51 -1.26 -4.99 118.94 116.98 1sqq s TRP 443 Ca -0.00 -0.33 0.14 0.00 -2.12 0.00 0.00 56.10 53.79 1sqq s TRP 443 Cb 0.02 -2.02 0.99 0.00 -0.81 0.00 0.00 33.47 31.64 1sqq s TRP 443 CO -0.07 -0.10 1.89 -0.07 -0.51 0.00 0.00 176.95 178.08 1sqq h LEU 444 N 7.03 0.48 -1.32 2.99 3.38 -2.01 -2.48 115.31 123.37 1sqq h LEU 444 Ca -0.34 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1sqq h LEU 444 Cb 1.18 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1sqq h LEU 444 CO 0.63 0.23 -0.03 0.08 0.09 0.00 0.00 178.44 179.44 1sqq h ARG 445 N 0.50 0.42 -0.01 1.13 0.11 -2.05 -3.58 114.38 110.91 1sqq h ARG 445 Ca 0.42 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1sqq h ARG 445 Cb 0.90 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1sqq h ARG 445 CO -0.16 0.47 0.00 0.34 0.10 0.00 0.00 179.97 180.72