#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dec s PRO 5 N 0.00 2.03 0.36 3.69 0.04 -1.26 -4.93 135.00 134.93 3dec s PRO 5 Ca 0.00 -0.00 0.11 0.00 0.04 0.00 0.00 61.00 61.15 3dec s PRO 5 Cb 0.00 -2.02 0.87 0.00 0.04 0.00 0.00 34.50 33.40 3dec s PRO 5 CO 0.00 -1.49 1.84 0.93 0.04 0.00 0.00 177.00 178.32 3dec h GLU 6 N -0.92 0.61 0.00 4.56 3.07 -1.98 -1.19 114.58 118.74 3dec h GLU 6 Ca -0.46 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3dec h GLU 6 Cb 1.33 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3dec h GLU 6 CO 0.64 0.41 0.00 -2.67 -1.40 0.00 0.00 179.01 175.99 3dec n TRP 7 N -4.60 0.00 -0.18 4.33 4.27 -1.26 -1.57 117.44 118.44 3dec n TRP 7 Ca 0.20 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.92 3dec n TRP 7 Cb 0.56 0.00 0.28 0.00 -1.36 0.00 0.00 31.31 30.79 3dec n TRP 7 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3dec n GLN 8 N -0.76 2.66 -5.10 -2.67 1.13 -0.45 -0.88 117.38 111.32 3dec n GLN 8 Ca 0.11 -2.51 -0.29 0.00 -1.94 0.00 0.00 57.00 52.37 3dec n GLN 8 Cb 0.05 -1.53 -0.16 0.00 0.11 0.00 0.00 30.24 28.72 3dec n GLN 8 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dec s SER 9 N -1.12 2.83 0.00 1.08 0.15 -0.61 -4.55 113.70 111.49 3dec s SER 9 Ca 0.44 -0.46 0.28 0.00 0.70 0.00 0.00 55.95 56.90 3dec s SER 9 Cb 0.24 -0.30 1.00 0.00 -1.71 0.00 0.00 66.02 65.24 3dec s SER 9 CO 0.31 0.28 1.73 0.00 1.20 0.00 0.00 173.24 176.77 3dec n GLN 10 N 2.33 0.32 0.01 5.44 0.00 -1.26 -3.33 117.38 120.88 3dec n GLN 10 Ca -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 57.00 56.68 3dec n GLN 10 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.15 3dec n GLN 10 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 3dec h TYR 11 N 0.29 0.00 0.00 2.61 0.05 -1.92 -3.40 116.97 114.61 3dec h TYR 11 Ca 0.00 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.40 3dec h TYR 11 Cb 0.44 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.21 3dec h TYR 11 CO 0.00 0.79 2.22 0.00 -1.05 0.00 0.00 178.16 180.12 3dec n ALA 12 N -2.46 3.61 0.54 3.88 0.00 -1.21 -4.56 120.51 120.30 3dec n ALA 12 Ca -0.12 -1.94 0.11 0.00 0.00 0.00 0.00 53.44 51.49 3dec n ALA 12 Cb 0.94 -3.07 0.07 0.00 0.00 0.00 0.00 19.45 17.39 3dec n ALA 12 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3dec n VAL 13 N 4.83 0.25 -3.58 0.00 0.24 -1.26 -4.38 118.33 114.43 3dec n VAL 13 Ca 0.38 -0.27 0.03 0.00 -2.04 0.00 0.00 64.34 62.43 3dec n VAL 13 Cb 0.18 0.06 -0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3dec n VAL 13 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dec s GLY 14 N -3.70 -0.46 -0.29 7.63 0.00 -1.26 -1.77 107.32 107.47 3dec s GLY 14 Ca 0.04 0.99 -0.12 0.00 0.00 0.00 0.00 44.72 45.63 3dec s GLY 14 CO 0.77 0.21 0.66 -2.27 0.00 0.00 0.00 173.10 172.48 3dec s LEU 15 N -2.91 -1.06 0.00 0.66 2.96 -1.13 -4.87 118.68 112.34 3dec s LEU 15 Ca 0.14 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 3dec s LEU 15 Cb 0.06 2.33 0.00 0.00 0.50 0.00 0.00 46.19 49.09 3dec s LEU 15 CO -0.06 -0.23 0.00 0.59 -1.32 0.00 0.00 176.35 175.33 3dec n ASN 16 N 4.97 -1.71 -4.74 3.68 3.02 -1.26 -3.95 115.26 115.27 3dec n ASN 16 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 3dec n ASN 16 Cb 0.53 -1.52 0.07 0.00 -0.61 0.00 0.00 39.78 38.25 3dec n ASN 16 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dec s LYS 17 N -0.68 2.43 0.66 3.52 1.02 -1.26 -4.64 119.74 120.79 3dec s LYS 17 Ca 0.00 1.70 -0.16 0.00 0.02 0.00 0.00 55.97 57.53 3dec s LYS 17 Cb 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3dec s LYS 17 CO 0.00 -1.60 1.18 -0.51 -0.92 0.00 0.00 175.35 173.50 3dec s LEU 18 N -4.88 3.46 0.31 3.17 1.02 0.51 -4.98 118.68 117.28 3dec s LEU 18 Ca 0.73 2.27 -0.30 0.00 0.02 0.00 0.00 54.13 56.86 3dec s LEU 18 Cb -0.28 -4.58 -0.12 0.00 0.02 0.00 0.00 46.19 41.23 3dec s LEU 18 CO 0.42 -1.86 1.55 0.47 0.02 0.00 0.00 176.35 176.95 3dec n ASP 19 N -2.24 3.73 -4.71 2.29 8.00 -1.26 -4.76 116.55 117.59 3dec n ASP 19 Ca 0.13 1.17 -0.40 0.00 0.71 0.00 0.00 54.79 56.39 3dec n ASP 19 Cb 0.50 -1.58 0.02 0.00 -0.02 0.00 0.00 41.12 40.04 3dec n ASP 19 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3dec n PRO 20 N 1.71 1.86 -2.10 -0.24 -0.04 -1.26 -4.97 135.00 129.96 3dec n PRO 20 Ca 0.07 0.67 -0.04 0.00 -0.04 0.00 0.00 63.50 64.16 3dec n PRO 20 Cb 0.37 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3dec n PRO 20 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3dec n HIS 21 N -0.50 -1.26 -2.54 0.54 1.44 -1.26 -4.91 115.22 106.72 3dec n HIS 21 Ca 0.08 -0.70 -0.30 0.00 -2.01 0.00 0.00 57.72 54.79 3dec n HIS 21 Cb 0.42 0.28 -0.01 0.00 0.12 0.00 0.00 29.99 30.79 3dec n HIS 21 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 3dec s THR 22 N -2.65 4.79 -0.02 0.61 -1.32 -1.19 -3.00 115.64 112.86 3dec s THR 22 Ca 0.07 0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 60.84 3dec s THR 22 Cb -0.01 -3.80 -0.06 0.00 -1.51 0.00 0.00 72.50 67.11 3dec s THR 22 CO 0.05 -0.77 1.61 -0.31 -2.21 0.00 0.00 174.62 172.99 3dec s TYR 23 N -2.68 2.23 -0.38 9.09 2.02 -1.26 -4.81 117.35 121.56 3dec s TYR 23 Ca 0.51 0.34 0.07 0.00 -0.37 0.00 0.00 57.07 57.62 3dec s TYR 23 Cb -0.10 -3.88 0.44 0.00 -0.40 0.00 0.00 41.96 38.02 3dec s TYR 23 CO 0.40 -3.59 1.12 1.33 -1.57 0.00 0.00 175.55 173.24 3dec n VAL 24 N 5.18 2.28 -1.64 0.71 0.24 -1.26 -4.94 118.33 118.89 3dec n VAL 24 Ca 0.16 -4.50 -0.47 0.00 -2.04 0.00 0.00 64.34 57.49 3dec n VAL 24 Cb 0.42 -0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 31.76 3dec n VAL 24 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3dec n TRP 25 N -0.53 2.00 -2.70 6.34 8.01 -1.26 -4.93 117.44 124.38 3dec n TRP 25 Ca 0.37 0.42 -0.42 0.00 -1.31 0.00 0.00 57.50 56.56 3dec n TRP 25 Cb 0.77 -2.46 -0.03 0.00 -2.01 0.00 0.00 31.31 27.59 3dec n TRP 25 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3dec s PRO 26 N 0.40 4.40 0.42 -0.99 0.04 -1.26 -4.55 135.00 133.46 3dec s PRO 26 Ca 0.77 1.37 0.08 0.00 0.04 0.00 0.00 61.00 63.26 3dec s PRO 26 Cb -0.74 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.25 3dec s PRO 26 CO 0.44 -0.35 0.55 0.71 0.04 0.00 0.00 177.00 178.39 3dec s TYR 27 N 2.13 2.76 -0.49 0.56 2.02 0.00 -4.58 117.35 119.76 3dec s TYR 27 Ca 0.47 -0.42 0.23 0.00 -0.37 0.00 0.00 57.07 56.98 3dec s TYR 27 Cb -0.18 -2.35 0.08 0.00 -0.40 0.00 0.00 41.96 39.12 3dec s TYR 27 CO 0.16 -0.39 1.06 0.00 -1.57 0.00 0.00 175.55 174.81 3dec n ALA 28 N -1.82 3.04 -3.61 3.71 0.00 -1.26 -4.24 120.51 116.34 3dec n ALA 28 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 3dec n ALA 28 Cb 0.59 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 3dec n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dec s ASP 29 N -4.37 -0.75 0.45 0.00 -1.08 -1.26 -5.00 116.67 104.67 3dec s ASP 29 Ca 0.03 1.14 0.25 0.00 -0.52 0.00 0.00 52.55 53.45 3dec s ASP 29 Cb 0.13 1.49 1.27 0.00 -1.46 0.00 0.00 42.92 44.35 3dec s ASP 29 CO 0.79 -0.17 1.79 0.00 0.52 0.00 0.00 175.17 178.10 3dec h ALA 30 N 6.86 2.55 -0.08 3.66 0.00 -1.96 0.17 119.26 130.47 3dec h ALA 30 Ca -0.25 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3dec h ALA 30 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dec h ALA 30 CO 0.15 -0.92 -0.38 1.03 0.00 0.00 0.00 179.25 179.13 3dec h SER 31 N 0.24 0.16 -0.64 0.00 0.87 -2.01 -1.54 113.55 110.63 3dec h SER 31 Ca 0.57 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.98 3dec h SER 31 Cb 1.75 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.64 3dec h SER 31 CO -0.18 0.54 0.07 -0.08 -0.53 0.00 0.00 176.83 176.65 3dec h GLU 32 N 0.14 1.07 -0.82 2.24 4.81 -1.09 -3.22 114.58 117.70 3dec h GLU 32 Ca 0.01 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3dec h GLU 32 Cb 0.75 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 3dec h GLU 32 CO 0.06 1.01 0.51 0.28 -0.73 0.00 0.00 179.01 180.14 3dec h VAL 33 N 0.99 1.22 -0.60 0.32 2.07 -0.51 -1.86 116.25 117.87 3dec h VAL 33 Ca 0.19 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3dec h VAL 33 Cb 0.48 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3dec h VAL 33 CO 0.02 0.23 0.10 -0.08 0.02 0.00 0.00 177.57 177.86 3dec h GLU 34 N 1.13 0.98 0.00 1.57 4.22 -1.52 -2.49 114.58 118.46 3dec h GLU 34 Ca 0.30 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.50 3dec h GLU 34 Cb -0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3dec h GLU 34 CO -0.06 0.90 0.00 1.63 -2.18 0.00 0.00 179.01 179.30 3dec n LYS 35 N -4.23 0.15 -1.45 1.92 4.01 -0.77 -4.90 118.16 112.90 3dec n LYS 35 Ca 0.04 0.18 -0.13 0.00 -0.51 0.00 0.00 58.31 57.89 3dec n LYS 35 Cb 0.27 -1.70 -0.05 0.00 -0.51 0.00 0.00 35.03 33.04 3dec n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dec n GLY 36 N 1.06 1.27 2.24 0.72 0.00 -0.80 -4.91 105.19 104.79 3dec n GLY 36 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3dec n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dec n THR 37 N -2.73 3.56 0.34 2.61 -1.04 -1.17 -4.71 114.28 111.15 3dec n THR 37 Ca -0.13 -2.42 0.14 0.00 -2.04 0.00 0.00 64.05 59.60 3dec n THR 37 Cb 0.45 -1.99 0.40 0.00 -1.82 0.00 0.00 70.33 67.36 3dec n THR 37 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 3dec h PHE 38 N 3.50 0.00 0.00 -1.42 -5.15 -1.91 -2.92 116.94 109.04 3dec h PHE 38 Ca 0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.19 3dec h PHE 38 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 3dec h PHE 38 CO 1.69 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 178.39 3dec n GLU 39 N -2.81 0.07 -0.21 6.09 1.02 -1.26 -2.37 120.64 121.16 3dec n GLU 39 Ca 0.03 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 3dec n GLU 39 Cb 0.41 -1.62 0.20 0.00 -0.02 0.00 0.00 31.44 30.41 3dec n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3dec n GLN 40 N -1.75 2.47 -2.19 3.49 1.13 -1.10 -4.93 117.38 114.50 3dec n GLN 40 Ca 0.03 -2.18 -0.37 0.00 -1.94 0.00 0.00 57.00 52.54 3dec n GLN 40 Cb 0.21 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 3dec n GLN 40 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dec s SER 41 N -1.12 6.08 0.22 1.08 0.15 -1.00 -4.93 113.70 114.18 3dec s SER 41 Ca 0.33 2.37 0.24 0.00 0.70 0.00 0.00 55.95 59.60 3dec s SER 41 Cb 0.18 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.80 3dec s SER 41 CO 0.25 -0.98 1.73 -0.81 1.20 0.00 0.00 173.24 174.62 3dec n PRO 42 N -0.51 0.20 -0.37 5.44 -0.04 -1.26 -2.65 135.00 135.81 3dec n PRO 42 Ca 0.07 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3dec n PRO 42 Cb 0.47 -1.81 0.30 0.00 -0.04 0.00 0.00 33.50 32.42 3dec n PRO 42 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dec n TYR 43 N -2.17 0.96 -4.36 0.54 4.01 -1.26 -4.99 117.16 109.88 3dec n TYR 43 Ca 0.03 -0.46 -0.16 0.00 -0.16 0.00 0.00 57.90 57.15 3dec n TYR 43 Cb 0.29 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 3dec n TYR 43 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3dec n TYR 44 N 1.41 0.50 -4.52 -0.72 9.36 -1.08 -0.23 117.16 121.89 3dec n TYR 44 Ca 0.23 -1.29 -0.24 0.00 3.32 0.00 0.00 57.90 59.91 3dec n TYR 44 Cb 0.60 -0.14 -0.14 0.00 -0.63 0.00 0.00 39.34 39.03 3dec n TYR 44 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dec s SER 46 N -2.40 2.33 -0.04 2.98 0.15 -1.26 -4.80 113.70 110.65 3dec s SER 46 Ca 0.02 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.28 3dec s SER 46 Cb 0.00 -0.17 0.46 0.00 -1.71 0.00 0.00 66.02 64.60 3dec s SER 46 CO 0.01 0.12 1.39 0.18 1.20 0.00 0.00 173.24 176.14 3dec n LEU 47 N 1.72 3.52 -4.80 3.45 4.77 -0.22 -4.87 117.00 120.58 3dec n LEU 47 Ca -0.18 -2.21 -0.32 0.00 -0.03 0.00 0.00 56.01 53.28 3dec n LEU 47 Cb 0.54 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3dec n LEU 47 CO 0.23 0.78 0.71 0.20 -1.33 0.00 0.00 177.39 177.98 3dec s ASN 48 N -1.12 5.23 0.00 -1.43 -0.87 -1.24 -4.88 114.94 110.64 3dec s ASN 48 Ca 0.35 1.75 0.00 0.00 -1.57 0.00 0.00 52.86 53.38 3dec s ASN 48 Cb 0.21 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 3dec s ASN 48 CO 0.19 -1.54 0.00 0.61 -2.57 0.00 0.00 177.10 173.79 3dec n GLY 49 N -1.44 0.87 3.74 0.66 0.00 -0.76 -5.01 105.19 103.24 3dec n GLY 49 Ca 0.08 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 3dec n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dec s GLN 50 N -1.54 4.47 0.13 1.61 -1.52 -1.26 -1.42 119.66 120.12 3dec s GLN 50 Ca 0.00 1.01 0.07 0.00 -1.95 0.00 0.00 55.36 54.49 3dec s GLN 50 Cb 0.00 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 3dec s GLN 50 CO 0.00 0.21 -0.17 -1.58 -0.25 0.00 0.00 175.29 173.50 3dec s TRP 51 N 0.22 1.64 0.32 0.91 0.52 -0.36 -4.92 118.94 117.26 3dec s TRP 51 Ca 0.38 -0.48 -0.29 0.00 0.02 0.00 0.00 56.10 55.74 3dec s TRP 51 Cb -0.20 -0.86 -0.10 0.00 -1.15 0.00 0.00 33.47 31.17 3dec s TRP 51 CO 0.21 0.22 1.19 0.15 0.02 0.00 0.00 176.95 178.75 3dec s LYS 52 N -2.45 4.45 0.01 4.98 -0.14 0.99 -0.70 119.74 126.88 3dec s LYS 52 Ca 0.10 1.97 -0.01 0.00 -1.36 0.00 0.00 55.97 56.67 3dec s LYS 52 Cb -0.07 -3.07 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 3dec s LYS 52 CO 0.05 -0.01 0.01 0.12 -0.76 0.00 0.00 175.35 174.75 3dec s PHE 53 N -1.19 0.19 -0.10 3.18 5.36 -0.41 -1.30 117.98 123.71 3dec s PHE 53 Ca 0.48 -0.40 -0.12 0.00 -0.96 0.00 0.00 56.93 55.93 3dec s PHE 53 Cb -0.35 -0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.22 3dec s PHE 53 CO 0.45 -0.19 0.32 -1.58 -1.46 0.00 0.00 175.22 172.77 3dec s HIS 54 N -1.31 -0.32 -0.05 10.12 5.65 -0.38 -3.91 115.29 125.10 3dec s HIS 54 Ca -0.14 0.74 0.01 0.00 0.25 0.00 0.00 55.06 55.92 3dec s HIS 54 Cb -0.09 0.12 0.02 0.00 -1.18 0.00 0.00 32.58 31.45 3dec s HIS 54 CO -0.00 -0.22 -0.07 -0.46 -0.65 0.00 0.00 174.74 173.34 3dec s TRP 55 N -0.16 0.92 0.07 3.88 -0.00 -1.26 0.66 118.94 123.06 3dec s TRP 55 Ca -0.03 -0.28 0.03 0.00 -0.00 0.00 0.00 56.10 55.82 3dec s TRP 55 Cb -0.03 -0.75 -0.03 0.00 -0.00 0.00 0.00 33.47 32.66 3dec s TRP 55 CO 0.01 -0.20 -0.09 0.14 -0.00 0.00 0.00 176.95 176.81 3dec s VAL 56 N 0.76 0.76 -0.25 5.86 -7.23 -0.14 -4.99 120.40 115.17 3dec s VAL 56 Ca -0.12 -1.43 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 3dec s VAL 56 Cb -0.14 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 3dec s VAL 56 CO 0.01 -0.50 0.55 -0.75 -0.31 0.00 0.00 175.10 174.10 3dec s LYS 57 N -2.37 4.10 0.00 4.82 2.20 -1.26 -0.80 119.74 126.43 3dec s LYS 57 Ca -0.00 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 3dec s LYS 57 Cb -0.05 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 3dec s LYS 57 CO -0.00 -0.35 0.00 -1.71 -0.36 0.00 0.00 175.35 172.93 3dec n ASN 58 N 5.50 -0.18 0.27 1.43 2.85 0.68 -4.81 115.26 121.01 3dec n ASN 58 Ca -0.03 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.54 3dec n ASN 58 Cb 0.50 -0.09 0.53 0.00 1.24 0.00 0.00 39.78 41.95 3dec n ASN 58 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3dec h PRO 59 N 0.00 0.00 0.00 1.20 0.11 -1.76 0.21 132.00 131.76 3dec h PRO 59 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3dec h PRO 59 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3dec h PRO 59 CO 0.00 0.00 -0.45 -0.44 -0.21 0.00 0.00 178.00 176.90 3dec h ASP 60 N 0.00 0.00 -0.50 -2.05 3.32 -1.92 -3.22 116.42 112.05 3dec h ASP 60 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dec h ASP 60 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3dec h ASP 60 CO 0.00 0.45 0.00 0.35 -1.72 0.00 0.00 179.24 178.32 3dec n THR 61 N -3.49 0.89 -2.41 0.35 -2.24 0.74 -4.94 114.28 103.18 3dec n THR 61 Ca 0.00 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.74 3dec n THR 61 Cb 0.58 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3dec n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dec s ARG 62 N -1.46 3.74 -1.09 -0.78 1.70 -1.22 -4.97 118.95 114.88 3dec s ARG 62 Ca 0.35 0.64 -0.23 0.00 -0.47 0.00 0.00 55.73 56.03 3dec s ARG 62 Cb 0.20 -2.23 -0.05 0.00 -0.57 0.00 0.00 34.95 32.30 3dec s ARG 62 CO 0.21 -0.28 1.89 -1.25 -1.08 0.00 0.00 175.30 174.79 3dec s PRO 63 N -4.43 2.73 0.57 3.89 0.04 -1.26 -4.84 135.00 131.70 3dec s PRO 63 Ca 0.54 -0.94 0.28 0.00 0.04 0.00 0.00 61.00 60.92 3dec s PRO 63 Cb -0.10 -5.22 1.52 0.00 0.04 0.00 0.00 34.50 30.74 3dec s PRO 63 CO 0.40 -3.50 1.99 0.87 0.04 0.00 0.00 177.00 176.80 3dec h LYS 64 N 10.07 0.00 -0.53 4.56 1.57 -1.94 -2.23 116.57 128.07 3dec h LYS 64 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3dec h LYS 64 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3dec h LYS 64 CO 1.26 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.89 3dec n ASP 65 N -3.93 3.49 0.30 0.86 8.00 -1.26 -4.51 116.55 119.51 3dec n ASP 65 Ca 0.06 -1.98 0.12 0.00 0.71 0.00 0.00 54.79 53.71 3dec n ASP 65 Cb 0.54 -0.35 0.66 0.00 -0.02 0.00 0.00 41.12 41.95 3dec n ASP 65 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3dec h PHE 66 N 3.57 0.00 -0.00 1.24 -5.15 -1.78 -0.88 116.94 113.94 3dec h PHE 66 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3dec h PHE 66 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.06 3dec h PHE 66 CO 0.35 0.00 -0.13 2.48 -2.00 0.00 0.00 178.31 179.01 3dec n TYR 67 N -2.69 0.00 -2.88 6.09 0.18 -1.26 -4.79 117.16 111.82 3dec n TYR 67 Ca -0.02 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.36 3dec n TYR 67 Cb 0.41 -0.41 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 3dec n TYR 67 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3dec s LYS 68 N -2.95 4.59 0.36 -3.48 1.02 -0.34 -3.29 119.74 115.65 3dec s LYS 68 Ca 0.15 1.23 0.12 0.00 0.02 0.00 0.00 55.97 57.49 3dec s LYS 68 Cb 0.19 -3.36 0.93 0.00 -0.52 0.00 0.00 37.83 35.07 3dec s LYS 68 CO 0.57 0.29 1.80 -1.35 -0.92 0.00 0.00 175.35 175.74 3dec h PRO 69 N 5.48 0.56 0.00 -1.68 0.11 -1.87 0.22 132.00 134.81 3dec h PRO 69 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dec h PRO 69 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dec h PRO 69 CO 0.71 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.53 3dec h SER 70 N 0.57 0.00 -3.14 -2.05 4.64 -1.94 -3.44 113.55 108.19 3dec h SER 70 Ca 0.54 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.32 3dec h SER 70 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3dec h SER 70 CO -0.29 0.00 0.62 -0.47 -0.87 0.00 0.00 176.83 175.82 3dec s TYR 71 N -3.61 3.32 -0.20 4.77 5.04 0.76 -4.97 117.35 122.45 3dec s TYR 71 Ca -0.00 1.25 -0.19 0.00 -2.44 0.00 0.00 57.07 55.68 3dec s TYR 71 Cb 0.09 -3.43 -0.03 0.00 0.35 0.00 0.00 41.96 38.94 3dec s TYR 71 CO 0.35 -1.34 0.57 -0.47 -1.34 0.00 0.00 175.55 173.32 3dec s TYR 72 N 1.54 3.37 -0.22 4.97 5.04 -1.26 -4.92 117.35 125.86 3dec s TYR 72 Ca 0.58 0.83 0.12 0.00 -2.44 0.00 0.00 57.07 56.17 3dec s TYR 72 Cb -0.28 -2.73 0.43 0.00 0.35 0.00 0.00 41.96 39.74 3dec s TYR 72 CO 0.27 -0.14 1.29 0.25 -1.34 0.00 0.00 175.55 175.88 3dec n THR 73 N 4.62 2.25 0.19 4.34 -2.24 -1.26 -4.75 114.28 117.44 3dec n THR 73 Ca -0.03 -2.81 0.07 0.00 -2.27 0.00 0.00 64.05 59.01 3dec n THR 73 Cb 0.50 -0.26 0.29 0.00 -2.10 0.00 0.00 70.33 68.75 3dec n THR 73 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dec h GLY 74 N 0.87 0.00 -3.13 3.38 0.00 -2.01 -2.87 103.07 99.32 3dec h GLY 74 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3dec h GLY 74 CO 0.13 0.00 0.04 0.61 0.00 0.00 0.00 176.54 177.32 3dec n GLY 75 N 0.58 2.81 3.94 4.60 0.00 -1.26 -4.89 105.19 110.97 3dec n GLY 75 Ca 0.01 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3dec n GLY 75 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dec s TRP 76 N -2.46 3.48 0.84 1.61 0.52 -1.09 -5.12 118.94 116.72 3dec s TRP 76 Ca 0.45 0.29 -0.12 0.00 0.02 0.00 0.00 56.10 56.74 3dec s TRP 76 Cb 0.34 -1.83 0.09 0.00 -1.15 0.00 0.00 33.47 30.93 3dec s TRP 76 CO 0.13 0.29 1.15 0.00 0.02 0.00 0.00 176.95 178.54 3dec s ALA 77 N -2.06 2.35 0.29 0.98 0.00 -1.25 -4.85 121.76 117.22 3dec s ALA 77 Ca 0.38 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3dec s ALA 77 Cb -0.10 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3dec s ALA 77 CO 0.32 -1.84 0.43 -0.51 0.00 0.00 0.00 175.76 174.15 3dec s ASP 78 N -4.34 6.21 0.01 0.00 1.01 -1.26 -1.29 116.67 117.00 3dec s ASP 78 Ca 0.62 0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.95 3dec s ASP 78 Cb -0.12 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 3dec s ASP 78 CO 0.51 -0.22 0.04 -0.51 0.21 0.00 0.00 175.17 175.20 3dec s ILE 79 N -2.11 0.08 0.14 0.77 2.07 0.13 -4.80 121.20 117.47 3dec s ILE 79 Ca 0.38 -0.65 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 3dec s ILE 79 Cb -0.09 -0.28 -0.07 0.00 0.13 0.00 0.00 42.46 42.15 3dec s ILE 79 CO 0.31 -0.36 1.00 -0.75 -1.91 0.00 0.00 174.94 173.23 3dec s LYS 80 N -1.13 4.69 -0.08 3.50 2.20 -1.26 -1.23 119.74 126.43 3dec s LYS 80 Ca -0.12 1.52 0.03 0.00 -0.36 0.00 0.00 55.97 57.04 3dec s LYS 80 Cb -0.07 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3dec s LYS 80 CO 0.00 0.20 -0.17 0.08 -0.36 0.00 0.00 175.35 175.11 3dec s VAL 81 N -0.16 1.50 0.55 4.02 1.01 -0.51 -4.15 120.40 122.66 3dec s VAL 81 Ca 0.47 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3dec s VAL 81 Cb -0.25 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3dec s VAL 81 CO 0.31 0.44 0.85 -2.16 0.00 0.00 0.00 175.10 174.54 3dec s PRO 82 N 0.55 3.14 0.00 2.72 0.04 -1.26 -1.83 135.00 138.36 3dec s PRO 82 Ca -0.16 0.04 0.00 0.00 0.04 0.00 0.00 61.00 60.92 3dec s PRO 82 Cb -0.17 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3dec s PRO 82 CO 0.06 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3dec n GLY 83 N -2.45 3.44 3.67 0.56 0.00 0.32 -4.96 105.19 105.76 3dec n GLY 83 Ca 0.03 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3dec n GLY 83 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dec n ASN 84 N 0.00 2.32 0.25 1.61 4.13 -1.18 -4.48 115.26 117.91 3dec n ASN 84 Ca 0.00 1.19 0.14 0.00 1.68 0.00 0.00 54.58 57.59 3dec n ASN 84 Cb 0.00 -1.43 0.47 0.00 -1.54 0.00 0.00 39.78 37.29 3dec n ASN 84 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 3dec h TRP 85 N 2.35 0.00 -0.05 3.10 0.09 -1.52 -2.27 115.95 117.65 3dec h TRP 85 Ca -0.44 0.00 0.01 0.00 0.09 0.00 0.00 58.89 58.55 3dec h TRP 85 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.54 3dec h TRP 85 CO 0.49 0.06 0.06 0.93 0.09 0.00 0.00 178.44 180.07 3dec h GLU 86 N 0.00 0.00 -0.62 0.12 3.07 -1.79 -0.25 114.58 115.11 3dec h GLU 86 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dec h GLU 86 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3dec h GLU 86 CO 0.01 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.16 3dec n ARG 87 N -3.76 4.42 -1.43 2.33 5.12 -0.85 -3.91 116.66 118.58 3dec n ARG 87 Ca -0.02 -3.06 0.02 0.00 -1.93 0.00 0.00 57.85 52.86 3dec n ARG 87 Cb 0.15 -2.11 0.08 0.00 -1.16 0.00 0.00 32.46 29.41 3dec n ARG 87 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3dec n GLN 88 N 0.87 0.88 -0.30 5.56 6.02 -0.14 -4.95 117.38 125.33 3dec n GLN 88 Ca 0.27 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.57 3dec n GLN 88 Cb 1.07 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 31.54 3dec n GLN 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dec n GLY 89 N -0.17 0.68 3.68 1.08 0.00 -1.18 -5.05 105.19 104.23 3dec n GLY 89 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3dec n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dec s TYR 90 N -2.51 3.20 0.00 1.61 1.51 -0.99 -5.05 117.35 115.12 3dec s TYR 90 Ca 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 3dec s TYR 90 Cb 0.00 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 3dec s TYR 90 CO 0.00 0.42 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 3dec n GLY 91 N 2.39 0.58 2.85 0.71 0.00 -1.26 -3.52 105.19 106.93 3dec n GLY 91 Ca -0.18 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3dec n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dec s THR 92 N 0.00 0.77 0.06 2.61 2.01 -1.26 -4.94 115.64 114.89 3dec s THR 92 Ca 0.00 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 3dec s THR 92 Cb 0.00 -0.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 3dec s THR 92 CO 0.00 0.29 1.58 0.00 -0.69 0.00 0.00 174.62 175.80 3dec s ALA 93 N 1.81 3.66 -0.07 7.40 0.00 -1.26 -4.95 121.76 128.36 3dec s ALA 93 Ca 0.04 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3dec s ALA 93 Cb -0.13 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.34 3dec s ALA 93 CO -0.07 -1.01 -0.14 0.42 0.00 0.00 0.00 175.76 174.95 3dec s ILE 94 N 2.41 1.30 -0.26 0.00 1.01 -1.23 -4.55 121.20 119.87 3dec s ILE 94 Ca 0.71 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 3dec s ILE 94 Cb -0.38 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 3dec s ILE 94 CO 0.31 0.39 0.03 -0.47 0.00 0.00 0.00 174.94 175.19 3dec s TYR 95 N 0.52 3.07 0.34 3.97 5.04 -1.26 0.43 117.35 129.46 3dec s TYR 95 Ca -0.14 -0.89 0.04 0.00 -2.44 0.00 0.00 57.07 53.64 3dec s TYR 95 Cb -0.15 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 39.93 3dec s TYR 95 CO 0.04 -0.53 0.16 0.14 -1.34 0.00 0.00 175.55 174.02 3dec s VAL 96 N 1.50 0.39 0.00 3.14 -7.23 -1.26 -1.56 120.40 115.38 3dec s VAL 96 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3dec s VAL 96 Cb -0.16 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3dec s VAL 96 CO 0.00 0.00 0.00 -3.20 -0.31 0.00 0.00 175.10 171.59 3dec n ASN 97 N -1.10 0.00 -1.36 4.85 5.15 -1.26 -4.80 115.26 116.74 3dec n ASN 97 Ca -0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 3dec n ASN 97 Cb 0.65 0.00 0.32 0.00 -0.53 0.00 0.00 39.78 40.21 3dec n ASN 97 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dec n GLU 98 N -1.72 3.69 -4.43 1.20 1.02 -1.26 -4.43 120.64 114.71 3dec n GLU 98 Ca 0.00 -2.84 -0.21 0.00 -0.02 0.00 0.00 57.16 54.09 3dec n GLU 98 Cb 0.00 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.43 3dec n GLU 98 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dec s THR 99 N -2.19 1.64 -0.17 2.62 -4.23 -1.26 -3.69 115.64 108.35 3dec s THR 99 Ca 0.46 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 3dec s THR 99 Cb 0.33 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 3dec s THR 99 CO 0.18 -0.30 0.21 -0.31 -0.54 0.00 0.00 174.62 173.86 3dec s TYR 100 N -3.02 3.45 0.48 3.99 1.51 -1.26 -4.85 117.35 117.65 3dec s TYR 100 Ca 0.29 0.47 0.16 0.00 -1.01 0.00 0.00 57.07 56.99 3dec s TYR 100 Cb 0.04 -2.24 1.17 0.00 -0.11 0.00 0.00 41.96 40.82 3dec s TYR 100 CO 0.12 0.29 2.08 1.05 -1.11 0.00 0.00 175.55 177.98 3dec h GLU 101 N 6.56 0.00 0.00 -0.62 9.09 -1.98 -0.82 114.58 126.80 3dec h GLU 101 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 3dec h GLU 101 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3dec h GLU 101 CO 0.75 0.09 0.00 0.27 0.05 0.00 0.00 179.01 180.17 3dec h PHE 102 N 0.00 0.00 -0.06 2.06 -5.15 -1.96 -3.36 116.94 108.47 3dec h PHE 102 Ca -0.00 0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.07 3dec h PHE 102 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.32 3dec h PHE 102 CO 0.00 0.00 3.40 -3.47 -2.00 0.00 0.00 178.31 176.24 3dec n ASP 103 N -2.41 6.03 -3.72 -0.68 2.03 -0.32 -4.52 116.55 112.96 3dec n ASP 103 Ca 0.05 -2.74 -0.12 0.00 0.52 0.00 0.00 54.79 52.49 3dec n ASP 103 Cb 0.42 -1.61 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 3dec n ASP 103 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dec s ASP 104 N 2.65 -0.19 0.00 1.67 2.15 -0.74 -4.80 116.67 117.41 3dec s ASP 104 Ca 0.56 -0.09 -0.02 0.00 0.43 0.00 0.00 52.55 53.43 3dec s ASP 104 Cb 0.16 0.38 -0.08 0.00 -0.30 0.00 0.00 42.92 43.08 3dec s ASP 104 CO -0.08 -0.62 1.42 2.29 -0.17 0.00 0.00 175.17 178.01 3dec n LYS 105 N 0.60 0.62 0.00 4.34 2.85 -1.26 -3.06 118.16 122.25 3dec n LYS 105 Ca -0.19 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 3dec n LYS 105 Cb 0.59 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 3dec n LYS 105 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3dec n PHE 107 N 2.67 0.00 -3.88 5.58 3.01 -1.26 -4.69 117.46 118.89 3dec n PHE 107 Ca 0.12 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.33 3dec n PHE 107 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3dec n PHE 107 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3dec n ASN 108 N 0.00 -1.46 -3.71 4.37 3.02 -1.17 -4.75 115.26 111.56 3dec n ASN 108 Ca 0.00 -0.91 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 3dec n ASN 108 Cb 0.00 -3.50 -0.10 0.00 -0.61 0.00 0.00 39.78 35.57 3dec n ASN 108 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dec s PHE 109 N -3.71 -0.57 0.01 3.10 5.36 -1.19 -5.03 117.98 115.94 3dec s PHE 109 Ca 0.15 1.31 0.03 0.00 -0.96 0.00 0.00 56.93 57.47 3dec s PHE 109 Cb -0.08 0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.79 3dec s PHE 109 CO 0.86 -0.29 -0.07 0.15 -1.46 0.00 0.00 175.22 174.41 3dec s LYS 110 N 0.63 2.54 0.40 10.12 1.02 -1.26 -1.80 119.74 131.39 3dec s LYS 110 Ca -0.03 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 3dec s LYS 110 Cb -0.05 -2.50 -0.10 0.00 -0.52 0.00 0.00 37.83 34.67 3dec s LYS 110 CO -0.04 0.60 1.43 -1.59 -0.92 0.00 0.00 175.35 174.83 3dec s LYS 111 N -1.43 3.99 -0.43 1.68 -2.85 -1.26 -4.95 119.74 114.48 3dec s LYS 111 Ca 0.17 2.45 0.04 0.00 -1.00 0.00 0.00 55.97 57.63 3dec s LYS 111 Cb -0.11 -2.86 0.26 0.00 -2.06 0.00 0.00 37.83 33.06 3dec s LYS 111 CO 0.08 -0.59 1.04 -1.71 0.10 0.00 0.00 175.35 174.27 3dec n ASN 112 N 0.26 -2.32 -4.66 0.03 5.15 -1.26 -5.10 115.26 107.36 3dec n ASN 112 Ca 0.02 -2.87 -0.39 0.00 -0.60 0.00 0.00 54.58 50.74 3dec n ASN 112 Cb 0.41 1.51 0.04 0.00 -0.53 0.00 0.00 39.78 41.21 3dec n ASN 112 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dec n PRO 113 N 1.39 1.31 -0.18 1.20 -0.04 -1.26 -0.82 135.00 136.59 3dec n PRO 113 Ca 0.06 0.48 0.03 0.00 -0.04 0.00 0.00 63.50 64.03 3dec n PRO 113 Cb 0.67 -2.28 0.11 0.00 -0.04 0.00 0.00 33.50 31.95 3dec n PRO 113 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3dec n PRO 114 N -0.70 1.80 -3.11 0.54 -0.04 -1.26 -5.10 135.00 127.13 3dec n PRO 114 Ca 0.11 -0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 62.34 3dec n PRO 114 Cb 0.44 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 3dec n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dec s LEU 115 N -0.91 4.48 0.41 1.53 1.43 -0.00 -4.11 118.68 121.50 3dec s LEU 115 Ca 0.15 1.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.68 3dec s LEU 115 Cb 0.10 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 3dec s LEU 115 CO 0.07 0.12 0.19 0.68 0.23 0.00 0.00 176.35 177.65 3dec s VAL 116 N -0.48 2.41 0.65 -1.59 -7.23 -1.26 -4.24 120.40 108.66 3dec s VAL 116 Ca 0.34 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.66 3dec s VAL 116 Cb -0.20 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 3dec s VAL 116 CO 0.21 -0.02 1.24 -2.65 -0.31 0.00 0.00 175.10 173.57 3dec n PRO 117 N -1.26 1.04 -0.04 4.82 -0.02 -1.26 -4.98 135.00 133.30 3dec n PRO 117 Ca -0.01 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.84 3dec n PRO 117 Cb 0.64 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3dec n PRO 117 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3dec n TYR 118 N -1.96 0.00 0.25 6.00 9.36 -1.26 -4.18 117.16 125.36 3dec n TYR 118 Ca 0.16 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.51 3dec n TYR 118 Cb 0.48 -0.24 0.62 0.00 -0.63 0.00 0.00 39.34 39.57 3dec n TYR 118 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 3dec h LYS 119 N -0.48 0.00 -0.02 2.98 1.57 -1.94 -1.51 116.57 117.18 3dec h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dec h LYS 119 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3dec h LYS 119 CO 0.00 0.13 -0.19 0.39 -0.57 0.00 0.00 179.45 179.21 3dec n GLU 120 N -3.36 1.42 -1.76 3.15 4.71 -1.26 -3.04 120.64 120.50 3dec n GLU 120 Ca -0.00 -1.00 -0.33 0.00 -0.01 0.00 0.00 57.16 55.82 3dec n GLU 120 Cb 0.33 -1.48 0.05 0.00 -1.01 0.00 0.00 31.44 29.33 3dec n GLU 120 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3dec s ASN 121 N -2.27 5.15 -0.06 1.62 3.84 -0.57 -4.66 114.94 117.99 3dec s ASN 121 Ca 0.27 1.96 0.04 0.00 0.21 0.00 0.00 52.86 55.35 3dec s ASN 121 Cb 0.20 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.33 3dec s ASN 121 CO 0.44 -1.60 -0.17 -1.61 -2.79 0.00 0.00 177.10 171.37 3dec s GLU 122 N -4.16 2.58 -0.14 0.43 2.02 -1.26 -0.23 118.70 117.95 3dec s GLU 122 Ca 0.66 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.92 3dec s GLU 122 Cb -0.20 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.69 3dec s GLU 122 CO 0.42 0.53 -0.20 0.08 0.02 0.00 0.00 175.26 176.11 3dec s VAL 123 N -0.50 2.32 -0.28 2.63 1.01 0.02 -1.48 120.40 124.13 3dec s VAL 123 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3dec s VAL 123 Cb -0.12 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3dec s VAL 123 CO 0.01 0.54 -0.02 -0.83 0.00 0.00 0.00 175.10 174.80 3dec s GLY 124 N 0.68 1.70 -0.21 4.51 0.00 -0.27 -0.97 107.32 112.76 3dec s GLY 124 Ca -0.09 -1.61 -0.13 0.00 0.00 0.00 0.00 44.72 42.89 3dec s GLY 124 CO 0.01 0.61 0.26 -0.56 0.00 0.00 0.00 173.10 173.43 3dec s SER 125 N 1.30 6.28 -0.06 1.64 0.01 0.21 -1.55 113.70 121.52 3dec s SER 125 Ca -0.02 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.59 3dec s SER 125 Cb -0.18 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 3dec s SER 125 CO -0.02 0.02 -0.16 -0.31 0.41 0.00 0.00 173.24 173.18 3dec s TYR 126 N 1.03 2.68 -0.10 2.43 2.02 -0.36 -1.25 117.35 123.80 3dec s TYR 126 Ca 0.13 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 3dec s TYR 126 Cb -0.14 -1.66 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3dec s TYR 126 CO 0.05 0.07 0.44 0.50 -1.57 0.00 0.00 175.55 175.04 3dec s ARG 127 N -0.48 0.65 0.21 -0.62 3.52 -0.42 -1.90 118.95 119.91 3dec s ARG 127 Ca 0.06 0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.87 3dec s ARG 127 Cb -0.12 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 3dec s ARG 127 CO 0.02 -0.14 0.38 -0.98 -0.81 0.00 0.00 175.30 173.76 3dec s ARG 128 N -0.47 1.38 0.47 5.12 1.70 -1.06 -0.01 118.95 126.07 3dec s ARG 128 Ca -0.06 -1.26 0.07 0.00 -0.47 0.00 0.00 55.73 54.00 3dec s ARG 128 Cb -0.03 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 3dec s ARG 128 CO 0.03 -0.54 0.33 0.95 -1.08 0.00 0.00 175.30 174.99 3dec s THR 129 N -4.02 2.13 -0.12 4.99 -4.23 -1.26 -1.40 115.64 111.73 3dec s THR 129 Ca 0.23 -1.51 -0.31 0.00 -1.18 0.00 0.00 61.69 58.91 3dec s THR 129 Cb 0.02 -2.64 0.13 0.00 1.34 0.00 0.00 72.50 71.34 3dec s THR 129 CO 0.06 0.00 1.03 0.72 -0.54 0.00 0.00 174.62 175.90 3dec s PHE 130 N -2.64 -0.28 -0.12 3.99 -0.12 0.49 -4.94 117.98 114.36 3dec s PHE 130 Ca 0.40 0.32 -0.02 0.00 -0.05 0.00 0.00 56.93 57.57 3dec s PHE 130 Cb -0.01 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 3dec s PHE 130 CO 0.23 -0.36 -0.04 0.15 -0.05 0.00 0.00 175.22 175.16 3dec s LYS 131 N -2.11 3.35 0.10 1.99 1.02 -1.26 -0.06 119.74 122.77 3dec s LYS 131 Ca 0.04 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.22 3dec s LYS 131 Cb -0.01 -2.82 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 3dec s LYS 131 CO -0.04 0.42 1.63 0.08 -0.92 0.00 0.00 175.35 176.52 3dec s VAL 132 N -0.13 2.88 0.37 3.17 1.01 -1.26 -4.96 120.40 121.48 3dec s VAL 132 Ca 0.03 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 3dec s VAL 132 Cb -0.13 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 3dec s VAL 132 CO 0.02 0.01 0.99 -2.65 0.00 0.00 0.00 175.10 173.47 3dec n PRO 133 N 5.07 1.33 -0.26 2.72 -0.02 -1.26 -4.88 135.00 137.70 3dec n PRO 133 Ca 0.15 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 62.08 3dec n PRO 133 Cb 0.40 -1.95 0.08 0.00 -0.02 0.00 0.00 33.50 32.01 3dec n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dec h ALA 134 N 1.68 0.95 0.00 3.55 0.00 -2.00 -2.67 119.26 120.76 3dec h ALA 134 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dec h ALA 134 Cb 1.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dec h ALA 134 CO 0.58 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.48 3dec n GLY 135 N -1.30 -0.40 1.54 0.00 0.00 -1.26 -2.83 105.19 100.95 3dec n GLY 135 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3dec n GLY 135 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dec n TRP 136 N -1.36 1.55 -1.97 1.61 7.02 -1.01 -4.95 117.44 118.33 3dec n TRP 136 Ca 0.00 -0.54 -0.42 0.00 -1.02 0.00 0.00 57.50 55.52 3dec n TRP 136 Cb 0.01 -0.39 -0.03 0.00 -2.42 0.00 0.00 31.31 28.48 3dec n TRP 136 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3dec s GLU 137 N -2.27 4.18 0.00 -0.99 2.56 -1.13 -1.86 118.70 119.20 3dec s GLU 137 Ca 0.42 2.24 0.00 0.00 0.00 0.00 0.00 54.97 57.63 3dec s GLU 137 Cb 0.31 -3.96 0.00 0.00 2.00 0.00 0.00 34.13 32.48 3dec s GLU 137 CO 0.13 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.40 3dec n GLY 138 N 4.15 1.74 3.84 -1.50 0.00 -1.26 -5.03 105.19 107.13 3dec n GLY 138 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3dec n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dec s ARG 139 N -0.29 3.33 0.16 1.61 0.52 -0.78 -4.73 118.95 118.78 3dec s ARG 139 Ca 0.00 0.87 -0.24 0.00 -0.52 0.00 0.00 55.73 55.84 3dec s ARG 139 Cb 0.00 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.35 3dec s ARG 139 CO 0.00 -0.79 0.75 0.50 0.02 0.00 0.00 175.30 175.79 3dec s ARG 140 N -5.01 4.51 -0.05 3.54 3.52 0.13 -4.93 118.95 120.65 3dec s ARG 140 Ca 0.57 1.10 0.04 0.00 -0.13 0.00 0.00 55.73 57.31 3dec s ARG 140 Cb -0.12 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3dec s ARG 140 CO 0.52 0.56 -0.18 0.08 -0.81 0.00 0.00 175.30 175.47 3dec s VAL 141 N -1.18 1.54 -0.10 7.11 1.01 -1.26 -1.23 120.40 126.29 3dec s VAL 141 Ca 0.36 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3dec s VAL 141 Cb -0.22 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3dec s VAL 141 CO 0.25 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.94 3dec s VAL 142 N 0.14 2.84 -0.13 2.92 1.01 0.11 -1.75 120.40 125.54 3dec s VAL 142 Ca -0.07 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 3dec s VAL 142 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3dec s VAL 142 CO 0.03 0.55 0.58 -0.22 0.00 0.00 0.00 175.10 176.04 3dec s LEU 143 N -0.02 4.24 -0.17 3.92 2.96 -0.29 -1.41 118.68 127.91 3dec s LEU 143 Ca -0.04 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 3dec s LEU 143 Cb -0.14 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.73 3dec s LEU 143 CO 0.04 -0.11 -0.15 0.00 -1.32 0.00 0.00 176.35 174.81 3dec h GLU 146 N 8.37 0.00 0.00 0.00 4.39 -0.71 -1.28 114.58 125.35 3dec h GLU 146 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3dec h GLU 146 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3dec h GLU 146 CO 0.66 0.15 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 3dec n GLY 147 N -0.51 1.63 3.14 -3.84 0.00 -1.26 -3.01 105.19 101.34 3dec n GLY 147 Ca -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3dec n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dec s VAL 148 N -0.89 -0.01 -0.09 1.61 1.01 -1.20 -1.39 120.40 119.44 3dec s VAL 148 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3dec s VAL 148 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3dec s VAL 148 CO 0.00 0.01 -0.19 -0.51 0.00 0.00 0.00 175.10 174.41 3dec s ILE 149 N 0.31 1.65 -0.08 2.22 2.07 -0.47 -4.11 121.20 122.78 3dec s ILE 149 Ca -0.01 -0.77 -0.04 0.00 -1.41 0.00 0.00 60.65 58.42 3dec s ILE 149 Cb -0.03 -1.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 3dec s ILE 149 CO -0.01 0.47 -0.10 -0.24 -1.91 0.00 0.00 174.94 173.15 3dec n SER 150 N 3.72 0.96 -4.08 4.50 2.88 0.22 -0.50 113.62 121.33 3dec n SER 150 Ca -0.21 0.08 -0.21 0.00 -1.33 0.00 0.00 58.87 57.20 3dec n SER 150 Cb 0.52 -0.23 -0.15 0.00 -0.75 0.00 0.00 64.21 63.60 3dec n SER 150 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3dec s PHE 151 N -2.15 1.13 0.04 0.66 5.36 -1.13 -4.13 117.98 117.75 3dec s PHE 151 Ca -0.11 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.63 3dec s PHE 151 Cb 0.04 -0.73 -0.03 0.00 -0.34 0.00 0.00 43.02 41.96 3dec s PHE 151 CO 0.15 -0.03 -0.04 1.52 -1.46 0.00 0.00 175.22 175.35 3dec s TYR 152 N -0.23 0.48 0.16 10.12 -0.85 -1.12 -0.10 117.35 125.81 3dec s TYR 152 Ca 0.04 -0.70 -0.12 0.00 -0.52 0.00 0.00 57.07 55.76 3dec s TYR 152 Cb -0.05 -0.32 -0.07 0.00 0.38 0.00 0.00 41.96 41.90 3dec s TYR 152 CO -0.00 -0.21 0.53 0.71 -1.52 0.00 0.00 175.55 175.05 3dec s TYR 153 N -2.30 3.55 -0.03 -3.49 1.51 -0.93 -2.08 117.35 113.58 3dec s TYR 153 Ca -0.06 0.96 0.03 0.00 -1.01 0.00 0.00 57.07 56.99 3dec s TYR 153 Cb -0.04 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 3dec s TYR 153 CO -0.03 0.40 -0.12 0.54 -1.11 0.00 0.00 175.55 175.22 3dec s VAL 154 N -1.56 1.04 0.11 0.71 0.11 -0.84 -1.02 120.40 118.95 3dec s VAL 154 Ca 0.40 -0.49 0.11 0.00 -2.93 0.00 0.00 61.98 59.06 3dec s VAL 154 Cb -0.14 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3dec s VAL 154 CO 0.20 0.31 -0.27 0.26 -3.33 0.00 0.00 175.10 172.27 3dec s TRP 155 N 0.18 2.31 -0.13 1.54 0.51 0.13 -1.16 118.94 122.33 3dec s TRP 155 Ca -0.04 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.57 3dec s TRP 155 Cb -0.10 -1.28 0.02 0.00 -0.81 0.00 0.00 33.47 31.29 3dec s TRP 155 CO 0.01 0.29 -0.17 0.08 -0.51 0.00 0.00 176.95 176.66 3dec s VAL 156 N -1.01 1.65 -1.83 4.03 1.01 -0.45 -1.05 120.40 122.75 3dec s VAL 156 Ca 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3dec s VAL 156 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3dec s VAL 156 CO 0.05 0.47 0.00 0.59 0.00 0.00 0.00 175.10 176.21 3dec n ASN 157 N 4.30 -5.68 0.00 3.32 3.02 -0.53 -1.26 115.26 118.43 3dec n ASN 157 Ca -0.19 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3dec n ASN 157 Cb 0.51 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 3dec n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dec n GLY 158 N -0.88 1.88 3.66 7.41 0.00 -1.21 -4.65 105.19 111.41 3dec n GLY 158 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3dec n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dec s GLU 159 N -0.24 4.26 0.01 1.61 0.41 -0.39 -4.92 118.70 119.44 3dec s GLU 159 Ca 0.00 0.89 -0.37 0.00 -0.41 0.00 0.00 54.97 55.08 3dec s GLU 159 Cb 0.00 -3.58 -0.16 0.00 -1.78 0.00 0.00 34.13 28.61 3dec s GLU 159 CO 0.00 -0.33 1.50 0.34 -0.49 0.00 0.00 175.26 176.28 3dec n PHE 160 N 5.28 1.80 -0.06 1.61 7.35 -1.26 -1.35 117.46 130.83 3dec n PHE 160 Ca 0.03 0.52 -0.22 0.00 -0.76 0.00 0.00 57.45 57.02 3dec n PHE 160 Cb 0.49 -2.41 -0.13 0.00 0.35 0.00 0.00 39.48 37.78 3dec n PHE 160 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3dec n LEU 161 N 3.54 2.43 0.00 -2.13 4.77 -0.31 -4.87 117.00 120.44 3dec n LEU 161 Ca 0.20 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3dec n LEU 161 Cb 0.20 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3dec n LEU 161 CO 0.67 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 3dec n GLY 162 N 1.83 0.02 3.58 -0.72 0.00 -1.22 -4.60 105.19 104.08 3dec n GLY 162 Ca -0.36 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 3dec n GLY 162 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dec s TYR 163 N -3.88 0.49 -0.10 1.61 -0.85 -1.25 -1.98 117.35 111.39 3dec s TYR 163 Ca 0.00 -0.85 -0.18 0.00 -0.52 0.00 0.00 57.07 55.52 3dec s TYR 163 Cb 0.00 0.18 0.04 0.00 0.38 0.00 0.00 41.96 42.56 3dec s TYR 163 CO 0.00 -1.07 0.43 1.21 -1.52 0.00 0.00 175.55 174.61 3dec s ASN 164 N -3.07 -0.40 0.18 -0.18 2.47 -0.88 -2.85 114.94 110.21 3dec s ASN 164 Ca 0.24 0.59 0.10 0.00 0.42 0.00 0.00 52.86 54.21 3dec s ASN 164 Cb -0.01 0.65 -0.04 0.00 -1.45 0.00 0.00 41.25 40.40 3dec s ASN 164 CO 0.11 -0.32 -0.22 -1.10 -3.72 0.00 0.00 177.10 171.86 3dec s GLN 165 N -0.51 1.40 0.00 0.43 -0.21 -0.73 -2.78 119.66 117.27 3dec s GLN 165 Ca -0.06 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.85 3dec s GLN 165 Cb -0.03 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.36 3dec s GLN 165 CO 0.03 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 3dec n GLY 166 N 0.30 0.15 0.22 3.09 0.00 -1.26 -4.85 105.19 102.84 3dec n GLY 166 Ca -0.13 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.28 3dec n GLY 166 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dec n SER 167 N 0.00 0.72 0.00 1.61 3.41 -1.26 -4.15 113.62 113.95 3dec n SER 167 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3dec n SER 167 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3dec n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dec n LYS 168 N -0.51 -0.08 -4.30 4.33 4.76 -1.26 -3.21 118.16 117.89 3dec n LYS 168 Ca 0.20 -0.54 -0.16 0.00 -2.87 0.00 0.00 58.31 54.94 3dec n LYS 168 Cb 0.25 -0.85 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 3dec n LYS 168 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dec s THR 169 N -0.15 1.25 0.61 -0.18 -4.23 -1.26 -4.57 115.64 107.11 3dec s THR 169 Ca 0.00 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 3dec s THR 169 Cb 0.00 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 3dec s THR 169 CO 0.00 -0.58 1.21 0.00 -0.54 0.00 0.00 174.62 174.71 3dec s ALA 170 N -3.28 2.49 0.01 3.99 0.00 -1.16 -4.44 121.76 119.37 3dec s ALA 170 Ca 0.22 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.22 3dec s ALA 170 Cb 0.03 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3dec s ALA 170 CO 0.04 -1.26 -0.14 0.00 0.00 0.00 0.00 175.76 174.41 3dec s ALA 171 N -1.65 2.74 -0.00 0.00 0.00 -0.48 -4.99 121.76 117.37 3dec s ALA 171 Ca 0.77 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3dec s ALA 171 Cb -0.30 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3dec s ALA 171 CO 0.35 0.58 -0.08 -1.21 0.00 0.00 0.00 175.76 175.40 3dec s GLU 172 N -1.31 0.64 -0.00 0.00 2.02 -1.26 -2.08 118.70 116.71 3dec s GLU 172 Ca 0.15 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 54.90 3dec s GLU 172 Cb -0.11 -0.61 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 3dec s GLU 172 CO 0.05 0.17 -0.16 -1.58 0.02 0.00 0.00 175.26 173.76 3dec s TRP 173 N -0.22 1.45 -0.44 1.61 0.51 -0.68 -0.36 118.94 120.81 3dec s TRP 173 Ca 0.03 -0.29 -0.29 0.00 -2.12 0.00 0.00 56.10 53.43 3dec s TRP 173 Cb -0.03 -0.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.74 3dec s TRP 173 CO -0.00 -0.01 1.17 0.34 -0.51 0.00 0.00 176.95 177.94 3dec s ASP 174 N -0.54 6.65 -0.00 2.95 -1.08 -1.26 -1.14 116.67 122.24 3dec s ASP 174 Ca 0.06 0.62 0.17 0.00 -0.52 0.00 0.00 52.55 52.88 3dec s ASP 174 Cb -0.07 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.33 3dec s ASP 174 CO -0.00 -1.21 1.40 2.30 0.52 0.00 0.00 175.17 178.18 3dec n ILE 175 N 6.70 1.02 -0.27 4.11 -5.35 -0.72 -4.73 119.36 120.12 3dec n ILE 175 Ca 0.13 -1.01 -0.01 0.00 -0.27 0.00 0.00 62.75 61.59 3dec n ILE 175 Cb 0.48 0.49 0.05 0.00 -1.74 0.00 0.00 39.64 38.93 3dec n ILE 175 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3dec h THR 176 N 3.18 0.15 -0.00 7.28 2.02 -1.90 0.12 112.91 123.77 3dec h THR 176 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dec h THR 176 Cb 0.87 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3dec h THR 176 CO 0.00 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 174.99 3dec n ASP 177 N -5.48 0.04 -0.40 4.18 3.85 -1.26 -3.08 116.55 114.40 3dec n ASP 177 Ca 0.08 -1.20 0.09 0.00 -0.71 0.00 0.00 54.79 53.06 3dec n ASP 177 Cb 0.39 -0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.14 3dec n ASP 177 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dec n LYS 178 N -0.87 1.40 -2.39 0.11 5.02 0.42 -4.97 118.16 116.88 3dec n LYS 178 Ca 0.19 -0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 55.34 3dec n LYS 178 Cb 0.10 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3dec n LYS 178 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dec s LEU 179 N -2.31 3.55 0.00 -0.35 1.43 -1.17 -4.66 118.68 115.16 3dec s LEU 179 Ca 0.15 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 3dec s LEU 179 Cb 0.15 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 3dec s LEU 179 CO 0.51 -0.63 0.07 0.35 0.23 0.00 0.00 176.35 176.88 3dec n THR 180 N -2.05 0.00 -2.15 5.49 -2.24 -1.26 -5.10 114.28 106.97 3dec n THR 180 Ca 0.04 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 3dec n THR 180 Cb 0.54 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3dec n THR 180 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dec s ASP 181 N -1.73 6.18 0.46 3.42 1.01 -1.26 -4.85 116.67 119.90 3dec s ASP 181 Ca 0.09 1.65 0.00 0.00 0.71 0.00 0.00 52.55 55.01 3dec s ASP 181 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3dec s ASP 181 CO 0.07 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.16 3dec n GLY 182 N -1.49 0.87 3.64 0.21 0.00 -1.26 -4.69 105.19 102.48 3dec n GLY 182 Ca 0.07 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3dec n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dec s GLU 183 N 0.00 3.95 0.25 1.61 2.02 -1.26 -4.47 118.70 120.80 3dec s GLU 183 Ca 0.00 2.10 -0.00 0.00 0.02 0.00 0.00 54.97 57.09 3dec s GLU 183 Cb 0.00 -4.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 3dec s GLU 183 CO 0.00 -1.13 0.44 -0.80 0.02 0.00 0.00 175.26 173.79 3dec s ASN 184 N 4.32 6.36 0.21 -0.19 0.01 0.92 -4.91 114.94 121.66 3dec s ASN 184 Ca 0.78 0.40 0.10 0.00 -0.71 0.00 0.00 52.86 53.43 3dec s ASN 184 Cb -0.33 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 3dec s ASN 184 CO 0.32 -0.13 -0.19 0.42 -1.51 0.00 0.00 177.10 176.01 3dec s THR 185 N -2.02 2.11 -0.01 1.60 -4.23 -1.26 -0.38 115.64 111.45 3dec s THR 185 Ca 0.39 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 3dec s THR 185 Cb -0.10 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3dec s THR 185 CO 0.31 -0.35 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.49 3dec s ILE 186 N -2.27 0.39 -0.05 2.99 2.07 -0.49 -1.45 121.20 122.39 3dec s ILE 186 Ca 0.22 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 3dec s ILE 186 Cb -0.05 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.19 3dec s ILE 186 CO 0.10 0.13 -0.09 0.00 -1.91 0.00 0.00 174.94 173.17 3dec s ALA 187 N 0.18 0.98 -0.09 1.50 0.00 -0.21 -2.57 121.76 121.55 3dec s ALA 187 Ca -0.02 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3dec s ALA 187 Cb -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3dec s ALA 187 CO -0.00 0.07 -0.22 -0.51 0.00 0.00 0.00 175.76 175.10 3dec s LEU 188 N 0.70 2.22 -0.35 0.00 1.43 -0.80 0.22 118.68 122.11 3dec s LEU 188 Ca -0.12 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.40 3dec s LEU 188 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.66 3dec s LEU 188 CO 0.02 0.20 0.16 -0.70 0.23 0.00 0.00 176.35 176.26 3dec s GLU 189 N 0.13 2.89 -0.17 1.70 2.12 -0.19 -1.22 118.70 123.96 3dec s GLU 189 Ca -0.11 -1.02 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 3dec s GLU 189 Cb -0.16 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 3dec s GLU 189 CO 0.06 -0.62 -0.02 0.08 -0.54 0.00 0.00 175.26 174.23 3dec s VAL 190 N 1.52 3.94 -0.13 3.70 1.01 -0.60 -2.19 120.40 127.66 3dec s VAL 190 Ca 0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3dec s VAL 190 Cb -0.19 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3dec s VAL 190 CO 0.05 0.47 0.10 -0.31 0.00 0.00 0.00 175.10 175.41 3dec s TYR 191 N 0.60 3.44 0.20 5.22 2.02 0.85 -1.11 117.35 128.58 3dec s TYR 191 Ca -0.02 0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.98 3dec s TYR 191 Cb -0.14 -1.95 0.14 0.00 -0.40 0.00 0.00 41.96 39.60 3dec s TYR 191 CO 0.02 0.55 1.72 -0.09 -1.57 0.00 0.00 175.55 176.18 3dec h ARG 192 N 5.46 1.11 -5.33 -0.62 2.43 -1.55 0.70 114.38 116.58 3dec h ARG 192 Ca -0.50 -0.28 -0.53 0.00 -0.81 0.00 0.00 59.98 57.86 3dec h ARG 192 Cb 1.20 -0.14 -0.30 0.00 -0.42 0.00 0.00 29.97 30.31 3dec h ARG 192 CO 0.61 0.99 -0.83 -1.58 -1.51 0.00 0.00 179.97 177.66 3dec s TRP 193 N -5.26 1.53 0.21 2.20 0.51 -1.26 -4.24 118.94 112.63 3dec s TRP 193 Ca -0.12 -0.37 0.04 0.00 -2.12 0.00 0.00 56.10 53.53 3dec s TRP 193 Cb 0.15 -1.02 -0.02 0.00 -0.81 0.00 0.00 33.47 31.77 3dec s TRP 193 CO 0.85 -0.10 0.16 -1.13 -0.51 0.00 0.00 176.95 176.22 3dec n SER 194 N 2.97 -0.19 0.14 2.95 3.41 -1.26 -4.82 113.62 116.81 3dec n SER 194 Ca -0.17 -2.35 0.12 0.00 -0.26 0.00 0.00 58.87 56.21 3dec n SER 194 Cb 0.54 0.97 0.64 0.00 -0.26 0.00 0.00 64.21 66.09 3dec n SER 194 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dec h SER 195 N 1.22 0.05 0.18 4.04 0.02 -1.16 0.05 113.55 117.96 3dec h SER 195 Ca -0.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3dec h SER 195 Cb 0.74 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 3dec h SER 195 CO 0.23 0.03 -0.03 1.23 -1.14 0.00 0.00 176.83 177.15 3dec h GLY 196 N 0.06 0.00 2.00 -3.77 0.00 -1.85 -2.60 103.07 96.90 3dec h GLY 196 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3dec h GLY 196 CO -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.39 3dec h ALA 197 N 1.97 1.32 0.00 3.60 0.00 -1.35 -0.67 119.26 124.14 3dec h ALA 197 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dec h ALA 197 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dec h ALA 197 CO 0.00 0.18 -0.04 1.88 0.00 0.00 0.00 179.25 181.27 3dec h TYR 198 N 0.00 0.00 -0.52 0.00 -1.99 -1.63 0.92 116.97 113.75 3dec h TYR 198 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3dec h TYR 198 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 3dec h TYR 198 CO 0.00 0.04 0.00 1.28 -0.00 0.00 0.00 178.16 179.48 3dec n LEU 199 N -3.34 3.55 -2.46 3.88 4.77 -0.27 -3.96 117.00 119.16 3dec n LEU 199 Ca -0.02 -1.78 -0.23 0.00 -0.03 0.00 0.00 56.01 53.96 3dec n LEU 199 Cb 0.19 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3dec n LEU 199 CO 0.26 0.84 0.13 -0.62 -1.33 0.00 0.00 177.39 176.67 3dec n GLU 200 N 1.38 3.03 -1.55 3.23 1.02 0.32 -0.51 120.64 127.56 3dec n GLU 200 Ca 0.20 -4.23 -0.37 0.00 -0.02 0.00 0.00 57.16 52.75 3dec n GLU 200 Cb 0.57 -2.07 0.06 0.00 -0.02 0.00 0.00 31.44 29.99 3dec n GLU 200 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dec s GLN 202 N -3.90 2.53 -0.82 0.00 1.11 -1.26 -4.57 119.66 112.74 3dec s GLN 202 Ca 0.60 1.65 -0.25 0.00 0.01 0.00 0.00 55.36 57.37 3dec s GLN 202 Cb 0.48 -1.89 -0.02 0.00 -1.01 0.00 0.00 33.01 30.57 3dec s GLN 202 CO -0.16 -1.51 1.79 0.34 0.01 0.00 0.00 175.29 175.76 3dec s ASP 203 N -2.12 5.47 0.18 5.90 -1.08 -1.26 -4.86 116.67 118.89 3dec s ASP 203 Ca 0.72 -0.49 -0.32 0.00 -0.52 0.00 0.00 52.55 51.95 3dec s ASP 203 Cb -0.26 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.54 3dec s ASP 203 CO 0.41 -2.38 1.64 0.26 0.52 0.00 0.00 175.17 175.62 3dec s TRP 205 N 8.67 2.96 -0.60 -5.34 0.52 -1.26 -4.97 118.94 118.92 3dec s TRP 205 Ca 0.63 0.48 -0.23 0.00 0.02 0.00 0.00 56.10 56.99 3dec s TRP 205 Cb -0.07 -4.03 0.05 0.00 -1.15 0.00 0.00 33.47 28.27 3dec s TRP 205 CO 0.05 -3.85 0.95 1.03 0.02 0.00 0.00 176.95 175.15 3dec s ARG 206 N 1.24 3.22 0.26 4.98 1.81 0.17 -4.99 118.95 125.64 3dec s ARG 206 Ca 0.72 -0.53 0.05 0.00 -1.72 0.00 0.00 55.73 54.26 3dec s ARG 206 Cb -0.46 -4.13 -0.06 0.00 -0.45 0.00 0.00 34.95 29.85 3dec s ARG 206 CO 0.32 -1.64 -0.04 -0.51 -0.68 0.00 0.00 175.30 172.75 3dec s LEU 207 N 4.02 2.36 0.15 2.53 1.43 -1.26 -3.57 118.68 124.35 3dec s LEU 207 Ca 0.26 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.22 3dec s LEU 207 Cb -0.14 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 3dec s LEU 207 CO 0.15 -0.41 -0.12 -0.44 0.23 0.00 0.00 176.35 175.76 3dec s SER 208 N -3.38 1.99 0.00 2.29 0.01 -1.26 -4.82 113.70 108.53 3dec s SER 208 Ca 0.29 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.58 3dec s SER 208 Cb 0.05 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3dec s SER 208 CO 0.10 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.10 3dec n GLY 209 N -0.08 -0.57 3.60 3.44 0.00 0.35 -1.25 105.19 110.68 3dec n GLY 209 Ca -0.11 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 3dec n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dec s ILE 210 N 0.00 5.05 -0.14 -0.61 1.01 -1.26 -1.37 121.20 123.89 3dec s ILE 210 Ca 0.00 0.68 0.16 0.00 0.00 0.00 0.00 60.65 61.48 3dec s ILE 210 Cb 0.00 -3.87 -0.22 0.00 0.01 0.00 0.00 42.46 38.38 3dec s ILE 210 CO 0.00 -0.02 0.13 -0.62 0.00 0.00 0.00 174.94 174.43 3dec n GLU 211 N 5.61 1.09 -4.59 2.79 1.02 -0.49 0.12 120.64 126.19 3dec n GLU 211 Ca -0.05 -0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.78 3dec n GLU 211 Cb 0.50 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 3dec n GLU 211 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3dec s ARG 212 N -2.59 1.99 0.49 3.49 0.52 -0.92 -4.32 118.95 117.61 3dec s ARG 212 Ca -0.08 -2.22 -0.22 0.00 -0.52 0.00 0.00 55.73 52.69 3dec s ARG 212 Cb 0.06 -0.97 -0.09 0.00 0.52 0.00 0.00 34.95 34.48 3dec s ARG 212 CO 0.71 -0.39 0.94 -0.25 0.02 0.00 0.00 175.30 176.32 3dec n ASP 213 N -1.22 0.84 -4.33 0.23 8.00 -1.26 -4.52 116.55 114.29 3dec n ASP 213 Ca -0.10 0.93 -0.32 0.00 0.71 0.00 0.00 54.79 56.01 3dec n ASP 213 Cb 0.66 -1.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.26 3dec n ASP 213 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dec s VAL 214 N -1.40 2.64 0.23 2.53 1.01 -1.26 -0.05 120.40 124.10 3dec s VAL 214 Ca 0.68 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 3dec s VAL 214 Cb -0.50 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3dec s VAL 214 CO 0.54 0.55 0.56 -0.72 0.00 0.00 0.00 175.10 176.03 3dec s TYR 215 N 0.16 0.00 -0.06 5.22 -0.85 0.11 -1.05 117.35 120.87 3dec s TYR 215 Ca -0.10 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 3dec s TYR 215 Cb -0.16 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 3dec s TYR 215 CO 0.06 -1.03 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.38 3dec s LEU 216 N -2.93 2.53 0.18 -3.49 1.02 -1.26 -0.30 118.68 114.43 3dec s LEU 216 Ca 0.14 -0.30 0.06 0.00 0.02 0.00 0.00 54.13 54.05 3dec s LEU 216 Cb -0.02 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.64 3dec s LEU 216 CO 0.03 0.30 -0.12 -0.72 0.02 0.00 0.00 176.35 175.86 3dec s TYR 217 N -0.49 1.50 -0.03 0.29 -0.85 -0.50 -4.46 117.35 112.81 3dec s TYR 217 Ca 0.06 -0.66 0.01 0.00 -0.52 0.00 0.00 57.07 55.96 3dec s TYR 217 Cb -0.12 -0.72 0.01 0.00 0.38 0.00 0.00 41.96 41.52 3dec s TYR 217 CO 0.01 0.23 -0.05 0.45 -1.52 0.00 0.00 175.55 174.67 3dec s SER 218 N -3.25 0.90 0.25 -0.18 0.15 0.69 -0.72 113.70 111.55 3dec s SER 218 Ca 0.20 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.76 3dec s SER 218 Cb 0.01 -0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 3dec s SER 218 CO 0.04 -0.01 -0.02 0.42 1.20 0.00 0.00 173.24 174.87 3dec s THR 219 N 0.57 1.26 0.98 6.45 -4.23 -0.36 -4.78 115.64 115.52 3dec s THR 219 Ca -0.08 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 3dec s THR 219 Cb -0.11 -2.41 0.18 0.00 1.34 0.00 0.00 72.50 71.50 3dec s THR 219 CO 0.00 -0.30 1.08 -2.84 -0.54 0.00 0.00 174.62 172.03 3dec s PRO 220 N -3.82 0.58 0.58 3.99 0.02 -1.26 0.21 135.00 135.30 3dec s PRO 220 Ca 0.29 0.82 0.28 0.00 0.02 0.00 0.00 61.00 62.41 3dec s PRO 220 Cb 0.05 -1.73 1.59 0.00 0.02 0.00 0.00 34.50 34.43 3dec s PRO 220 CO 0.10 -2.70 2.06 0.93 -0.33 0.00 0.00 177.00 177.06 3dec h GLU 221 N -1.89 0.00 -5.03 5.54 4.39 -1.94 -3.33 114.58 112.32 3dec h GLU 221 Ca -0.53 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.52 3dec h GLU 221 Cb 1.30 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.67 3dec h GLU 221 CO 0.53 0.00 -0.74 -1.14 -1.16 0.00 0.00 179.01 176.50 3dec s GLN 222 N -4.69 3.34 0.20 2.33 0.74 -1.26 -2.98 119.66 117.33 3dec s GLN 222 Ca -0.05 -0.65 -0.00 0.00 0.05 0.00 0.00 55.36 54.71 3dec s GLN 222 Cb 0.16 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 3dec s GLN 222 CO 0.57 -0.17 0.09 1.52 -0.55 0.00 0.00 175.29 176.76 3dec s TYR 223 N 1.37 1.19 -0.39 1.67 -0.85 -0.11 -4.93 117.35 115.31 3dec s TYR 223 Ca 0.05 -1.27 -0.29 0.00 -0.52 0.00 0.00 57.07 55.04 3dec s TYR 223 Cb -0.14 -0.64 0.02 0.00 0.38 0.00 0.00 41.96 41.58 3dec s TYR 223 CO -0.04 -0.50 1.15 0.42 -1.52 0.00 0.00 175.55 175.06 3dec s ILE 224 N -3.99 4.30 -0.01 -3.49 1.01 -1.26 0.24 121.20 118.00 3dec s ILE 224 Ca 0.34 1.42 0.12 0.00 0.00 0.00 0.00 60.65 62.52 3dec s ILE 224 Cb 0.07 -4.45 -0.21 0.00 0.01 0.00 0.00 42.46 37.87 3dec s ILE 224 CO 0.09 -0.72 0.84 0.00 0.00 0.00 0.00 174.94 175.15 3dec h ALA 225 N 8.88 0.67 -1.60 9.38 0.00 -0.79 -3.46 119.26 132.33 3dec h ALA 225 Ca -0.23 -1.27 0.28 0.00 0.00 0.00 0.00 54.91 53.69 3dec h ALA 225 Cb 1.07 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 3dec h ALA 225 CO 1.08 1.44 0.77 0.34 0.00 0.00 0.00 179.25 182.88 3dec s ASP 226 N -6.22 -0.11 -0.18 0.00 2.15 -1.07 -4.69 116.67 106.55 3dec s ASP 226 Ca -0.03 -0.12 -0.29 0.00 0.43 0.00 0.00 52.55 52.54 3dec s ASP 226 Cb 0.08 0.20 0.12 0.00 -0.30 0.00 0.00 42.92 43.03 3dec s ASP 226 CO 0.82 -0.36 0.99 -0.72 -0.17 0.00 0.00 175.17 175.73 3dec s TYR 227 N -2.56 -0.40 -0.19 -5.34 -0.85 -1.26 -0.54 117.35 106.21 3dec s TYR 227 Ca 0.12 0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 57.42 3dec s TYR 227 Cb 0.02 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3dec s TYR 227 CO -0.04 -0.33 -0.11 0.21 -1.52 0.00 0.00 175.55 173.77 3dec s LYS 228 N -0.82 3.24 -0.16 -3.49 2.20 0.33 -4.82 119.74 116.22 3dec s LYS 228 Ca -0.01 -0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 54.83 3dec s LYS 228 Cb -0.01 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 3dec s LYS 228 CO 0.00 -0.14 0.07 0.08 -0.36 0.00 0.00 175.35 175.00 3dec s VAL 229 N 1.24 4.85 -0.21 4.02 1.01 -1.26 -1.91 120.40 128.13 3dec s VAL 229 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dec s VAL 229 Cb -0.14 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.12 3dec s VAL 229 CO -0.05 0.51 -0.16 -0.89 0.00 0.00 0.00 175.10 174.51 3dec s THR 230 N -0.04 2.12 -0.35 3.92 2.01 0.38 -4.79 115.64 118.89 3dec s THR 230 Ca 0.07 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 3dec s THR 230 Cb -0.12 -2.04 0.11 0.00 0.01 0.00 0.00 72.50 70.47 3dec s THR 230 CO 0.01 0.31 0.15 -0.94 -0.69 0.00 0.00 174.62 173.46 3dec s SER 231 N 1.22 3.76 0.00 3.53 1.04 -1.25 -0.76 113.70 121.24 3dec s SER 231 Ca -0.01 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 54.49 3dec s SER 231 Cb -0.16 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.16 3dec s SER 231 CO -0.10 -0.37 0.00 0.18 0.98 0.00 0.00 173.24 173.94 3dec n LEU 232 N 4.44 0.00 -4.21 2.42 4.77 0.49 -2.47 117.00 122.45 3dec n LEU 232 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 3dec n LEU 232 Cb 0.39 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3dec n LEU 232 CO 0.14 -0.17 -0.45 -0.76 -1.33 0.00 0.00 177.39 174.82 3dec s LEU 233 N 0.00 2.34 0.39 2.23 1.43 -1.26 -1.33 118.68 122.48 3dec s LEU 233 Ca 0.00 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 3dec s LEU 233 Cb 0.00 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 3dec s LEU 233 CO 0.00 -0.11 1.38 -1.83 0.23 0.00 0.00 176.35 176.01 3dec s GLU 234 N -2.21 4.02 -0.02 1.70 1.03 -0.60 -4.84 118.70 117.77 3dec s GLU 234 Ca 0.03 2.33 0.03 0.00 0.03 0.00 0.00 54.97 57.39 3dec s GLU 234 Cb -0.07 -2.85 0.10 0.00 -0.80 0.00 0.00 34.13 30.51 3dec s GLU 234 CO 0.02 -0.51 0.88 1.63 -1.33 0.00 0.00 175.26 175.95 3dec n LYS 235 N 0.27 1.39 -0.11 -4.83 4.76 -1.26 -1.08 118.16 117.29 3dec n LYS 235 Ca 0.03 -0.40 -0.20 0.00 -2.87 0.00 0.00 58.31 54.87 3dec n LYS 235 Cb 0.42 -1.34 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 3dec n LYS 235 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dec n GLU 236 N -0.06 0.55 -0.00 1.97 4.71 -1.26 -4.76 120.64 121.79 3dec n GLU 236 Ca 0.04 0.31 0.02 0.00 -0.01 0.00 0.00 57.16 57.51 3dec n GLU 236 Cb 0.23 -1.52 -0.02 0.00 -1.01 0.00 0.00 31.44 29.12 3dec n GLU 236 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3dec n HIS 237 N -4.37 0.00 -3.65 -0.32 8.25 -1.25 -5.02 115.22 108.85 3dec n HIS 237 Ca -0.35 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.91 3dec n HIS 237 Cb 0.69 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.83 3dec n HIS 237 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3dec n TYR 238 N -1.16 -1.96 0.00 4.41 4.01 -0.24 -4.90 117.16 117.31 3dec n TYR 238 Ca 0.01 0.86 0.00 0.00 -0.16 0.00 0.00 57.90 58.60 3dec n TYR 238 Cb 0.06 -4.51 0.00 0.00 -0.31 0.00 0.00 39.34 34.58 3dec n TYR 238 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3dec n LYS 239 N -4.24 2.15 -3.56 -0.72 4.76 -1.26 -4.89 118.16 110.39 3dec n LYS 239 Ca -0.30 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.78 3dec n LYS 239 Cb 0.68 -0.75 -0.07 0.00 -1.84 0.00 0.00 35.03 33.05 3dec n LYS 239 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3dec s GLU 240 N -1.43 4.23 0.30 1.97 2.12 -1.26 -2.29 118.70 122.35 3dec s GLU 240 Ca 0.00 0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.11 3dec s GLU 240 Cb 0.00 -3.42 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 3dec s GLU 240 CO 0.00 0.26 0.99 0.20 -0.54 0.00 0.00 175.26 176.17 3dec s GLY 241 N 0.42 2.95 -0.22 -1.50 0.00 0.56 -1.56 107.32 107.97 3dec s GLY 241 Ca 0.16 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.49 3dec s GLY 241 CO 0.03 1.18 -0.01 -0.42 0.00 0.00 0.00 173.10 173.88 3dec s ILE 242 N -1.38 3.70 -0.21 0.90 1.01 -0.44 -0.11 121.20 124.67 3dec s ILE 242 Ca 0.47 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 3dec s ILE 242 Cb -0.24 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.56 3dec s ILE 242 CO 0.31 0.41 -0.13 0.12 0.00 0.00 0.00 174.94 175.65 3dec s PHE 243 N 1.33 2.91 0.04 3.97 5.36 0.50 -0.38 117.98 131.71 3dec s PHE 243 Ca 0.04 -1.50 0.04 0.00 -0.96 0.00 0.00 56.93 54.56 3dec s PHE 243 Cb -0.15 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.52 3dec s PHE 243 CO -0.00 -0.73 -0.13 -2.00 -1.46 0.00 0.00 175.22 170.89 3dec s GLU 244 N 1.33 0.87 -0.05 10.12 2.12 0.06 -1.54 118.70 131.61 3dec s GLU 244 Ca 0.03 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 3dec s GLU 244 Cb -0.14 -0.85 0.04 0.00 0.26 0.00 0.00 34.13 33.43 3dec s GLU 244 CO -0.08 0.21 0.11 -1.17 -0.54 0.00 0.00 175.26 173.78 3dec s LEU 245 N -1.11 0.66 -0.09 2.70 2.96 -1.26 -0.47 118.68 122.07 3dec s LEU 245 Ca 0.01 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3dec s LEU 245 Cb -0.08 0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.78 3dec s LEU 245 CO 0.01 -0.17 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.09 3dec s GLU 246 N 1.39 2.98 -0.18 1.98 2.02 -0.80 -1.65 118.70 124.44 3dec s GLU 246 Ca -0.06 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3dec s GLU 246 Cb -0.12 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.69 3dec s GLU 246 CO -0.05 0.34 -0.19 0.08 0.02 0.00 0.00 175.26 175.45 3dec s VAL 247 N 0.00 2.15 -0.29 2.63 1.01 -0.09 -0.52 120.40 125.29 3dec s VAL 247 Ca -0.06 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 3dec s VAL 247 Cb -0.15 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3dec s VAL 247 CO 0.05 0.53 0.78 0.00 0.00 0.00 0.00 175.10 176.46 3dec s ALA 248 N 1.21 3.56 -0.24 5.51 0.00 0.30 -1.38 121.76 130.72 3dec s ALA 248 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3dec s ALA 248 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3dec s ALA 248 CO -0.10 -1.12 0.13 0.08 0.00 0.00 0.00 175.76 174.74 3dec s VAL 249 N 2.90 5.00 0.27 0.00 1.01 -1.23 -0.05 120.40 128.31 3dec s VAL 249 Ca 0.32 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.42 3dec s VAL 249 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3dec s VAL 249 CO 0.11 0.34 0.38 -0.83 0.00 0.00 0.00 175.10 175.10 3dec s GLY 250 N 1.23 1.37 0.00 4.51 0.00 0.14 -4.38 107.32 110.19 3dec s GLY 250 Ca 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.45 3dec s GLY 250 CO 0.05 -1.32 0.00 0.61 0.00 0.00 0.00 173.10 172.45 3dec n GLY 251 N -1.46 -0.58 3.62 0.20 0.00 -1.26 -0.93 105.19 104.77 3dec n GLY 251 Ca -0.06 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 3dec n GLY 251 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dec s THR 252 N 0.00 0.00 0.42 2.61 -1.32 -1.16 -4.88 115.64 111.31 3dec s THR 252 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 3dec s THR 252 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 3dec s THR 252 CO 0.00 0.00 1.20 1.07 -2.21 0.00 0.00 174.62 174.68 3dec n THR 256 N 1.07 2.52 -3.56 5.08 5.66 -1.26 -4.62 114.28 119.18 3dec n THR 256 Ca -0.08 -0.50 -0.12 0.00 -3.05 0.00 0.00 64.05 60.30 3dec n THR 256 Cb 0.58 -1.46 -0.05 0.00 -1.55 0.00 0.00 70.33 67.85 3dec n THR 256 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dec s SER 257 N -0.58 -0.45 0.13 1.09 1.04 -1.26 -1.93 113.70 111.74 3dec s SER 257 Ca 0.61 0.46 0.09 0.00 0.48 0.00 0.00 55.95 57.60 3dec s SER 257 Cb -0.53 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3dec s SER 257 CO 0.58 -0.44 -0.19 -0.94 0.98 0.00 0.00 173.24 173.23 3dec s SER 258 N -1.24 3.82 -0.13 7.02 1.04 -1.06 -4.63 113.70 118.53 3dec s SER 258 Ca -0.04 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 3dec s SER 258 Cb -0.00 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 3dec s SER 258 CO 0.03 0.17 -0.11 -0.51 0.98 0.00 0.00 173.24 173.80 3dec s ILE 259 N -1.23 3.28 0.00 -1.02 1.10 -0.93 -0.41 121.20 122.00 3dec s ILE 259 Ca 0.18 -0.58 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 3dec s ILE 259 Cb -0.10 -2.39 -0.01 0.00 0.15 0.00 0.00 42.46 40.11 3dec s ILE 259 CO 0.10 0.52 -0.05 0.00 -2.11 0.00 0.00 174.94 173.40 3dec s ALA 260 N 0.30 0.39 0.18 1.50 0.00 -0.18 -1.77 121.76 122.18 3dec s ALA 260 Ca -0.08 -0.28 0.10 0.00 0.00 0.00 0.00 51.96 51.70 3dec s ALA 260 Cb -0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 3dec s ALA 260 CO 0.05 0.07 -0.22 1.52 0.00 0.00 0.00 175.76 177.18 3dec s TYR 261 N -0.32 2.11 -0.05 0.00 -0.85 -1.01 -0.51 117.35 116.73 3dec s TYR 261 Ca -0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 3dec s TYR 261 Cb -0.03 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.29 3dec s TYR 261 CO -0.00 0.43 0.02 0.99 -1.52 0.00 0.00 175.55 175.48 3dec s THR 262 N -1.80 0.15 -0.20 -3.49 2.01 -0.18 -2.04 115.64 110.09 3dec s THR 262 Ca 0.19 0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 3dec s THR 262 Cb -0.07 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3dec s THR 262 CO 0.09 0.20 0.35 -0.22 -0.69 0.00 0.00 174.62 174.35 3dec s LEU 263 N 1.75 4.15 0.09 4.42 2.96 -0.57 -0.85 118.68 130.63 3dec s LEU 263 Ca 0.01 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.45 3dec s LEU 263 Cb -0.13 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 3dec s LEU 263 CO -0.03 -0.04 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.18 3dec s LYS 264 N 1.21 1.38 0.77 1.98 1.02 0.00 -1.06 119.74 125.04 3dec s LYS 264 Ca 0.17 -1.16 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 3dec s LYS 264 Cb -0.14 -1.66 0.16 0.00 -0.52 0.00 0.00 37.83 35.67 3dec s LYS 264 CO 0.07 0.40 1.05 -0.40 -0.92 0.00 0.00 175.35 175.56 3dec n ASP 265 N 1.33 1.01 0.29 2.83 5.68 -0.44 -1.07 116.55 126.18 3dec n ASP 265 Ca -0.18 -1.95 0.18 0.00 -0.50 0.00 0.00 54.79 52.34 3dec n ASP 265 Cb 0.53 -0.72 0.98 0.00 -1.14 0.00 0.00 41.12 40.77 3dec n ASP 265 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dec h ALA 266 N -0.90 1.06 -0.99 2.12 0.00 -1.91 0.59 119.26 119.24 3dec h ALA 266 Ca -0.35 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.05 3dec h ALA 266 Cb 1.18 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 3dec h ALA 266 CO 0.33 -0.06 0.65 0.43 0.00 0.00 0.00 179.25 180.60 3dec n SER 267 N -2.81 3.86 0.00 0.00 7.64 -1.26 -4.89 113.62 116.15 3dec n SER 267 Ca -0.02 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.24 3dec n SER 267 Cb 0.12 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3dec n SER 267 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dec n ASP 268 N -1.14 -2.88 -4.72 6.43 2.03 0.20 -4.92 116.55 111.55 3dec n ASP 268 Ca 0.59 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.49 3dec n ASP 268 Cb 1.63 -2.04 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 3dec n ASP 268 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3dec s LYS 269 N -1.02 4.60 0.12 -0.67 2.20 -1.26 -4.73 119.74 118.98 3dec s LYS 269 Ca 0.00 1.44 -0.31 0.00 -0.36 0.00 0.00 55.97 56.74 3dec s LYS 269 Cb 0.00 -3.43 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 3dec s LYS 269 CO 0.00 0.03 1.48 0.99 -0.36 0.00 0.00 175.35 177.49 3dec s THR 270 N 0.67 3.06 0.00 3.43 2.01 -1.26 -1.33 115.64 122.22 3dec s THR 270 Ca 0.50 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.23 3dec s THR 270 Cb -0.22 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.83 3dec s THR 270 CO 0.29 0.05 0.00 1.33 -0.69 0.00 0.00 174.62 175.59 3dec n VAL 271 N 4.09 0.00 -3.94 3.82 0.24 -0.23 -4.94 118.33 117.37 3dec n VAL 271 Ca 0.13 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.34 3dec n VAL 271 Cb 0.41 -0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.66 3dec n VAL 271 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dec s LEU 272 N -3.12 1.83 -0.29 1.34 1.43 -1.18 -5.01 118.68 113.68 3dec s LEU 272 Ca 0.00 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 3dec s LEU 272 Cb 0.00 0.66 0.16 0.00 0.03 0.00 0.00 46.19 47.04 3dec s LEU 272 CO 0.00 -0.61 1.26 -1.83 0.23 0.00 0.00 176.35 175.40 3dec s GLU 273 N -3.39 0.25 0.35 1.70 -1.05 -1.26 -1.51 118.70 113.79 3dec s GLU 273 Ca 0.02 0.30 0.06 0.00 -0.15 0.00 0.00 54.97 55.20 3dec s GLU 273 Cb 0.03 0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 3dec s GLU 273 CO -0.08 -0.03 0.23 0.20 0.95 0.00 0.00 175.26 176.53 3dec s GLY 274 N 0.15 2.42 -0.29 -3.83 0.00 -0.86 -5.00 107.32 99.91 3dec s GLY 274 Ca 0.05 -1.78 -0.19 0.00 0.00 0.00 0.00 44.72 42.80 3dec s GLY 274 CO -0.12 -1.59 0.94 -0.45 0.00 0.00 0.00 173.10 171.89 3dec s SER 275 N -3.45 -0.57 0.03 1.64 0.15 -1.26 -2.40 113.70 107.85 3dec s SER 275 Ca 0.35 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.97 3dec s SER 275 Cb 0.02 1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 3dec s SER 275 CO 0.23 -0.15 -0.06 -0.60 1.20 0.00 0.00 173.24 173.86 3dec s ARG 276 N 1.07 0.44 -0.47 5.44 6.06 -0.73 -5.01 118.95 125.75 3dec s ARG 276 Ca -0.06 -0.70 0.02 0.00 -2.50 0.00 0.00 55.73 52.49 3dec s ARG 276 Cb -0.04 -0.11 0.54 0.00 0.06 0.00 0.00 34.95 35.39 3dec s ARG 276 CO -0.13 0.01 1.90 0.36 -2.50 0.00 0.00 175.30 174.93 3dec n LYS 277 N 1.50 2.26 -3.40 5.12 2.85 -1.26 -2.20 118.16 123.03 3dec n LYS 277 Ca -0.23 -2.79 0.02 0.00 -1.05 0.00 0.00 58.31 54.25 3dec n LYS 277 Cb 0.55 -2.09 -0.03 0.00 -0.65 0.00 0.00 35.03 32.81 3dec n LYS 277 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3dec s ASN 285 N -1.19 -1.04 -0.47 -5.58 -0.87 -1.26 -4.86 114.94 99.66 3dec s ASN 285 Ca 0.54 1.08 0.06 0.00 -1.57 0.00 0.00 52.86 52.97 3dec s ASN 285 Cb 0.44 2.05 0.19 0.00 -0.02 0.00 0.00 41.25 43.91 3dec s ASN 285 CO 0.06 -0.20 0.58 -0.11 -2.57 0.00 0.00 177.10 174.86 3dec n LEU 286 N 5.35 -2.08 -4.67 0.60 7.94 -1.26 -3.47 117.00 119.42 3dec n LEU 286 Ca -0.08 -3.61 -0.43 0.00 -1.11 0.00 0.00 56.01 50.79 3dec n LEU 286 Cb 0.51 0.68 -0.02 0.00 0.53 0.00 0.00 43.42 45.11 3dec n LEU 286 CO -0.03 1.92 1.17 -0.63 -1.11 0.00 0.00 177.39 178.71 3dec s ILE 287 N 0.43 3.99 -0.38 1.96 -1.09 -0.48 -4.88 121.20 120.76 3dec s ILE 287 Ca 0.32 1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 59.85 3dec s ILE 287 Cb 0.04 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 3dec s ILE 287 CO -0.13 -0.09 0.24 -0.69 -1.23 0.00 0.00 174.94 173.04 3dec s VAL 288 N 3.45 4.85 0.92 2.92 1.01 -1.26 -0.91 120.40 131.37 3dec s VAL 288 Ca 0.62 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3dec s VAL 288 Cb -0.27 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.58 3dec s VAL 288 CO 0.21 -0.23 1.18 -0.36 0.00 0.00 0.00 175.10 175.90 3dec s PHE 289 N 1.61 2.26 0.12 5.22 0.08 -0.66 -5.01 117.98 121.60 3dec s PHE 289 Ca 0.03 0.69 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 3dec s PHE 289 Cb -0.19 -3.56 -0.07 0.00 -0.57 0.00 0.00 43.02 38.63 3dec s PHE 289 CO 0.08 -2.42 1.25 -0.51 -0.10 0.00 0.00 175.22 173.53 3dec s ASP 290 N -4.31 7.00 0.22 1.36 1.01 -1.26 -4.70 116.67 115.99 3dec s ASP 290 Ca 0.66 2.19 -0.31 0.00 0.71 0.00 0.00 52.55 55.80 3dec s ASP 290 Cb -0.11 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.08 3dec s ASP 290 CO 0.52 -0.49 1.17 1.21 0.21 0.00 0.00 175.17 177.80 3dec n GLU 291 N 3.39 1.40 -4.09 8.23 0.00 -1.26 -4.78 120.64 123.53 3dec n GLU 291 Ca 0.08 0.50 -0.08 0.00 0.00 0.00 0.00 57.16 57.65 3dec n GLU 291 Cb 0.45 -1.99 -0.10 0.00 0.00 0.00 0.00 31.44 29.80 3dec n GLU 291 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3dec s GLN 292 N -0.71 0.80 -0.04 5.31 -1.52 -0.59 -5.00 119.66 117.92 3dec s GLN 292 Ca 0.68 -1.29 -0.00 0.00 -1.95 0.00 0.00 55.36 52.80 3dec s GLN 292 Cb -0.77 0.25 0.03 0.00 -0.22 0.00 0.00 33.01 32.29 3dec s GLN 292 CO 0.54 -0.21 0.01 1.03 -0.25 0.00 0.00 175.29 176.41 3dec s ARG 293 N -3.97 0.31 -0.34 2.91 1.81 -1.26 -0.37 118.95 118.03 3dec s ARG 293 Ca 0.15 0.12 -0.07 0.00 -1.72 0.00 0.00 55.73 54.22 3dec s ARG 293 Cb 0.07 -0.59 0.04 0.00 -0.45 0.00 0.00 34.95 34.03 3dec s ARG 293 CO -0.04 -0.19 0.12 -0.51 -0.68 0.00 0.00 175.30 173.99 3dec s LEU 294 N 1.37 4.37 0.38 2.53 1.43 0.85 -4.91 118.68 124.70 3dec s LEU 294 Ca -0.05 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 51.66 3dec s LEU 294 Cb -0.13 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 3dec s LEU 294 CO -0.02 -0.34 1.01 -2.16 0.23 0.00 0.00 176.35 175.07 3dec s PRO 295 N 1.41 4.29 -1.52 1.29 0.04 -1.26 0.21 135.00 139.45 3dec s PRO 295 Ca -0.01 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 3dec s PRO 295 Cb -0.20 -2.59 0.08 0.00 0.04 0.00 0.00 34.50 31.84 3dec s PRO 295 CO 0.03 -0.02 0.98 -0.25 0.04 0.00 0.00 177.00 177.78 3dec n ASP 296 N 0.06 -4.67 -4.77 6.66 8.00 -0.97 -4.86 116.55 116.01 3dec n ASP 296 Ca 0.04 -0.78 -0.33 0.00 0.71 0.00 0.00 54.79 54.44 3dec n ASP 296 Cb 0.50 -3.92 0.06 0.00 -0.02 0.00 0.00 41.12 37.75 3dec n ASP 296 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dec s VAL 297 N -3.32 3.19 -0.15 2.53 0.11 -1.18 -5.00 120.40 116.57 3dec s VAL 297 Ca 0.63 0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 59.90 3dec s VAL 297 Cb -0.31 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 3dec s VAL 297 CO 0.83 -0.38 1.09 -0.13 -3.33 0.00 0.00 175.10 173.17 3dec s ARG 298 N -4.27 4.32 0.15 1.54 0.52 -1.26 -4.95 118.95 114.99 3dec s ARG 298 Ca 0.66 1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 57.32 3dec s ARG 298 Cb -0.20 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3dec s ARG 298 CO 0.45 -0.52 0.34 1.03 0.02 0.00 0.00 175.30 176.62 3dec s ARG 299 N 2.72 3.52 -0.14 3.54 0.52 -1.26 -4.43 118.95 123.42 3dec s ARG 299 Ca 0.49 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 55.30 3dec s ARG 299 Cb -0.18 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 3dec s ARG 299 CO 0.13 0.48 0.13 -0.46 0.02 0.00 0.00 175.30 175.60 3dec s TRP 300 N -1.72 3.54 0.31 -0.53 -0.00 0.16 -3.97 118.94 116.72 3dec s TRP 300 Ca 0.38 0.47 -0.18 0.00 -0.00 0.00 0.00 56.10 56.76 3dec s TRP 300 Cb -0.12 -1.99 0.06 0.00 -0.00 0.00 0.00 33.47 31.43 3dec s TRP 300 CO 0.28 0.62 0.88 0.54 -0.00 0.00 0.00 176.95 179.27 3dec s ASN 301 N -0.69 -0.00 0.57 5.86 2.20 -1.16 -4.69 114.94 117.03 3dec s ASN 301 Ca 0.13 -0.96 0.26 0.00 -0.94 0.00 0.00 52.86 51.35 3dec s ASN 301 Cb -0.12 0.72 1.67 0.00 -2.00 0.00 0.00 41.25 41.53 3dec s ASN 301 CO 0.03 -1.43 2.23 0.00 -2.94 0.00 0.00 177.10 174.98 3dec h ALA 302 N 2.00 1.64 0.01 3.54 0.00 -1.91 -1.99 119.26 122.54 3dec h ALA 302 Ca -0.30 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 3dec h ALA 302 Cb 1.24 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3dec h ALA 302 CO 0.38 0.00 -1.97 0.39 0.00 0.00 0.00 179.25 178.06 3dec n GLU 303 N -4.02 0.66 -3.59 0.00 1.02 -1.26 -4.46 120.64 108.99 3dec n GLU 303 Ca -0.03 0.19 -0.27 0.00 -0.02 0.00 0.00 57.16 57.03 3dec n GLU 303 Cb 0.09 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 3dec n GLU 303 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3dec n HIS 304 N -2.98 0.74 -0.89 -0.32 8.25 -1.10 -5.03 115.22 113.88 3dec n HIS 304 Ca -0.24 -3.71 -0.29 0.00 -0.26 0.00 0.00 57.72 53.22 3dec n HIS 304 Cb 1.08 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 3dec n HIS 304 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3dec n PRO 305 N 2.46 1.91 -2.02 -0.41 -0.04 -0.77 -2.99 135.00 133.13 3dec n PRO 305 Ca 0.26 -1.61 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 3dec n PRO 305 Cb 0.43 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 3dec n PRO 305 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dec s GLU 306 N 3.92 4.24 0.19 0.54 0.41 -1.25 -4.86 118.70 121.89 3dec s GLU 306 Ca 0.45 2.23 0.10 0.00 -0.41 0.00 0.00 54.97 57.33 3dec s GLU 306 Cb 0.12 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.98 3dec s GLU 306 CO 0.01 -0.63 -0.19 -0.51 -0.49 0.00 0.00 175.26 173.45 3dec s LEU 307 N 2.01 2.47 0.29 1.80 1.43 -1.26 -4.36 118.68 121.06 3dec s LEU 307 Ca 0.70 -0.91 0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3dec s LEU 307 Cb -0.39 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 3dec s LEU 307 CO 0.31 -0.01 -0.18 -0.31 0.23 0.00 0.00 176.35 176.39 3dec s TYR 308 N -2.14 2.33 -0.18 0.29 2.02 0.10 -4.26 117.35 115.51 3dec s TYR 308 Ca 0.20 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3dec s TYR 308 Cb -0.05 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 3dec s TYR 308 CO 0.08 0.70 -0.08 0.99 -1.57 0.00 0.00 175.55 175.68 3dec s THR 309 N -2.51 3.27 -0.27 -0.71 2.01 -0.23 0.62 115.64 117.81 3dec s THR 309 Ca 0.30 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 3dec s THR 309 Cb -0.04 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 3dec s THR 309 CO 0.15 0.47 0.17 -0.22 -0.69 0.00 0.00 174.62 174.50 3dec s LEU 310 N 1.01 3.93 -0.17 4.42 2.96 -0.07 -0.82 118.68 129.95 3dec s LEU 310 Ca -0.00 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3dec s LEU 310 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3dec s LEU 310 CO -0.00 -0.04 0.06 -0.76 -1.32 0.00 0.00 176.35 174.28 3dec s LEU 311 N 1.70 3.83 -0.14 -0.68 1.43 -0.03 -2.24 118.68 122.55 3dec s LEU 311 Ca 0.07 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3dec s LEU 311 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3dec s LEU 311 CO 0.10 0.21 -0.19 -0.76 0.23 0.00 0.00 176.35 175.93 3dec s LEU 312 N 0.15 2.28 -0.06 1.79 1.43 0.11 -1.01 118.68 123.36 3dec s LEU 312 Ca 0.05 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3dec s LEU 312 Cb -0.12 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3dec s LEU 312 CO 0.01 0.10 -0.15 -1.61 0.23 0.00 0.00 176.35 174.92 3dec s GLU 313 N 0.74 1.94 0.21 1.70 2.02 0.33 -1.10 118.70 124.53 3dec s GLU 313 Ca -0.08 -0.54 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 3dec s GLU 313 Cb -0.16 -1.58 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 3dec s GLU 313 CO 0.00 0.11 0.65 -0.51 0.02 0.00 0.00 175.26 175.53 3dec s LEU 314 N 0.44 4.29 0.01 1.80 1.43 -0.80 -1.02 118.68 124.83 3dec s LEU 314 Ca -0.12 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 3dec s LEU 314 Cb -0.15 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3dec s LEU 314 CO 0.04 0.01 -0.14 -0.54 0.23 0.00 0.00 176.35 175.96 3dec s LYS 315 N -2.19 0.99 0.88 1.70 1.02 0.45 -1.32 119.74 121.27 3dec s LYS 315 Ca 0.43 -0.61 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 3dec s LYS 315 Cb -0.15 -0.98 -0.06 0.00 -0.52 0.00 0.00 37.83 36.13 3dec s LYS 315 CO 0.20 0.26 0.00 -0.25 -0.92 0.00 0.00 175.35 174.63 3dec n ASP 316 N 2.32 -3.29 0.30 2.83 8.00 0.25 -2.56 116.55 124.40 3dec n ASP 316 Ca -0.16 0.37 0.18 0.00 0.71 0.00 0.00 54.79 55.89 3dec n ASP 316 Cb 0.55 -1.04 1.01 0.00 -0.02 0.00 0.00 41.12 41.62 3dec n ASP 316 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dec h ALA 317 N -0.99 1.37 -0.49 2.24 0.00 -1.72 0.13 119.26 119.80 3dec h ALA 317 Ca -0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3dec h ALA 317 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3dec h ALA 317 CO 0.33 -0.09 0.06 0.41 0.00 0.00 0.00 179.25 179.96 3dec n GLY 318 N -1.24 2.80 2.51 0.00 0.00 -1.26 -4.93 105.19 103.08 3dec n GLY 318 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 3dec n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dec n GLY 319 N 0.35 0.32 3.82 -0.02 0.00 0.45 -5.02 105.19 105.09 3dec n GLY 319 Ca 0.24 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3dec n GLY 319 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dec s LYS 320 N -1.23 4.23 -0.25 1.61 2.20 -1.26 -4.70 119.74 120.35 3dec s LYS 320 Ca 0.00 0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 56.28 3dec s LYS 320 Cb 0.00 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 3dec s LYS 320 CO 0.00 0.19 1.40 0.08 -0.36 0.00 0.00 175.35 176.66 3dec s VAL 321 N -1.85 4.01 -0.14 4.02 1.01 -1.26 0.86 120.40 127.06 3dec s VAL 321 Ca 0.53 1.15 0.13 0.00 0.00 0.00 0.00 61.98 63.78 3dec s VAL 321 Cb -0.13 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 3dec s VAL 321 CO 0.18 -0.36 0.31 0.35 0.00 0.00 0.00 175.10 175.58 3dec n THR 322 N 6.13 1.52 -3.74 3.92 -2.24 -0.43 -4.90 114.28 114.53 3dec n THR 322 Ca 0.16 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 3dec n THR 322 Cb 0.46 -0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 67.70 3dec n THR 322 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dec s GLU 323 N -2.54 0.32 -0.11 -0.78 2.12 -1.22 -4.80 118.70 111.68 3dec s GLU 323 Ca -0.11 0.52 0.03 0.00 0.36 0.00 0.00 54.97 55.77 3dec s GLU 323 Cb 0.07 0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.53 3dec s GLU 323 CO 0.80 -0.10 -0.20 -1.50 -0.54 0.00 0.00 175.26 173.73 3dec s ILE 324 N 0.68 1.84 0.28 -3.70 2.07 -1.26 -1.91 121.20 119.20 3dec s ILE 324 Ca -0.04 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 3dec s ILE 324 Cb -0.06 -1.62 -0.05 0.00 0.13 0.00 0.00 42.46 40.86 3dec s ILE 324 CO -0.04 0.51 0.11 0.28 -1.91 0.00 0.00 174.94 173.89 3dec s THR 325 N 0.68 0.54 -0.03 4.00 -1.32 -0.26 -0.82 115.64 118.43 3dec s THR 325 Ca -0.12 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.06 3dec s THR 325 Cb -0.16 -2.60 0.12 0.00 -1.51 0.00 0.00 72.50 68.35 3dec s THR 325 CO 0.02 0.00 1.31 -0.83 -2.21 0.00 0.00 174.62 172.92 3dec s GLY 326 N -3.36 -0.35 0.17 6.08 0.00 -1.26 0.10 107.32 108.70 3dec s GLY 326 Ca 0.36 0.55 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 3dec s GLY 326 CO 0.15 1.72 0.56 -1.08 0.00 0.00 0.00 173.10 174.45 3dec s THR 327 N -2.24 0.02 0.44 0.90 -1.32 -0.95 -4.99 115.64 107.50 3dec s THR 327 Ca 0.19 -0.32 -0.21 0.00 -1.21 0.00 0.00 61.69 60.14 3dec s THR 327 Cb 0.04 -1.22 -0.10 0.00 -1.51 0.00 0.00 72.50 69.71 3dec s THR 327 CO -0.03 -0.07 0.97 -0.54 -2.21 0.00 0.00 174.62 172.73 3dec s LYS 328 N -3.80 4.12 -0.05 7.08 -0.14 -1.26 -0.89 119.74 124.80 3dec s LYS 328 Ca 0.04 1.18 0.04 0.00 -1.36 0.00 0.00 55.97 55.86 3dec s LYS 328 Cb -0.01 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 3dec s LYS 328 CO -0.09 -0.13 -0.15 0.08 -0.76 0.00 0.00 175.35 174.29 3dec s VAL 329 N -2.13 1.31 -0.14 3.17 1.01 0.20 -4.86 120.40 118.96 3dec s VAL 329 Ca 0.63 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3dec s VAL 329 Cb -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3dec s VAL 329 CO 0.15 0.39 -0.13 -0.83 0.00 0.00 0.00 175.10 174.67 3dec s GLY 330 N 0.24 1.07 -0.27 4.51 0.00 -1.26 0.01 107.32 111.62 3dec s GLY 330 Ca -0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 44.72 43.53 3dec s GLY 330 CO 0.03 0.56 0.98 -1.36 0.00 0.00 0.00 173.10 173.31 3dec s PHE 331 N 1.49 3.26 -0.12 1.90 0.08 -1.26 -4.74 117.98 118.58 3dec s PHE 331 Ca 0.04 1.24 -0.31 0.00 0.12 0.00 0.00 56.93 58.03 3dec s PHE 331 Cb -0.13 -3.36 0.12 0.00 -0.57 0.00 0.00 43.02 39.08 3dec s PHE 331 CO -0.10 -0.57 1.02 -0.98 -0.10 0.00 0.00 175.22 174.49 3dec s ARG 332 N 3.26 0.58 0.15 0.44 3.03 -1.03 0.36 118.95 125.74 3dec s ARG 332 Ca 0.41 -0.06 0.09 0.00 2.03 0.00 0.00 55.73 58.20 3dec s ARG 332 Cb -0.14 0.27 -0.04 0.00 -1.03 0.00 0.00 34.95 34.01 3dec s ARG 332 CO 0.10 -0.22 -0.21 0.95 -1.13 0.00 0.00 175.30 174.79 3dec s THR 333 N -2.03 1.95 -0.04 4.99 -4.23 -1.26 -4.30 115.64 110.70 3dec s THR 333 Ca 0.03 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3dec s THR 333 Cb -0.01 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.02 3dec s THR 333 CO -0.04 -0.17 0.01 -0.55 -0.54 0.00 0.00 174.62 173.34 3dec s SER 334 N -2.40 0.91 0.25 3.99 0.15 -1.26 -1.87 113.70 113.46 3dec s SER 334 Ca 0.14 -0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.55 3dec s SER 334 Cb -0.08 -0.27 0.03 0.00 -1.71 0.00 0.00 66.02 63.99 3dec s SER 334 CO 0.07 -0.15 0.70 -1.83 1.20 0.00 0.00 173.24 173.22 3dec s GLU 335 N 1.51 1.66 -0.59 5.44 -1.05 -0.65 -4.26 118.70 120.76 3dec s GLU 335 Ca -0.03 -0.87 -0.14 0.00 -0.15 0.00 0.00 54.97 53.78 3dec s GLU 335 Cb -0.13 0.60 0.15 0.00 -0.44 0.00 0.00 34.13 34.31 3dec s GLU 335 CO -0.03 -0.76 0.53 0.42 0.95 0.00 0.00 175.26 176.38 3dec s ILE 336 N -3.87 5.12 -0.21 1.83 -1.09 -1.26 -0.29 121.20 121.44 3dec s ILE 336 Ca 0.09 -1.79 -0.08 0.00 -2.23 0.00 0.00 60.65 56.64 3dec s ILE 336 Cb -0.05 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3dec s ILE 336 CO 0.02 -0.89 0.09 -0.75 -1.23 0.00 0.00 174.94 172.18 3dec s LYS 337 N 1.22 3.94 -1.55 2.79 2.20 0.56 -4.44 119.74 124.47 3dec s LYS 337 Ca 0.07 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3dec s LYS 337 Cb -0.25 -3.31 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3dec s LYS 337 CO -0.00 0.14 0.35 0.09 -0.36 0.00 0.00 175.35 175.57 3dec n ASN 338 N 3.95 -0.52 0.00 1.43 3.02 -1.26 -0.50 115.26 121.39 3dec n ASN 338 Ca -0.16 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 3dec n ASN 338 Cb 0.52 -2.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 3dec n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dec n GLY 339 N -2.01 0.95 3.42 7.41 0.00 -1.26 -5.01 105.19 108.69 3dec n GLY 339 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3dec n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dec s ARG 340 N -0.25 2.15 -0.11 1.61 0.52 0.35 -2.18 118.95 121.04 3dec s ARG 340 Ca 0.00 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 3dec s ARG 340 Cb 0.00 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3dec s ARG 340 CO 0.00 0.56 1.32 0.12 0.02 0.00 0.00 175.30 177.32 3dec s PHE 341 N -0.80 2.79 -0.00 -0.53 5.36 -1.26 -0.32 117.98 123.21 3dec s PHE 341 Ca 0.13 0.91 0.05 0.00 -0.96 0.00 0.00 56.93 57.05 3dec s PHE 341 Cb -0.10 -3.56 -0.01 0.00 -0.34 0.00 0.00 43.02 39.00 3dec s PHE 341 CO 0.02 -2.01 -0.16 0.00 -1.46 0.00 0.00 175.22 171.61 3dec s ILE 343 N -0.44 3.78 -1.44 0.00 -1.09 -0.11 -1.64 121.20 120.26 3dec s ILE 343 Ca 0.06 -0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 58.04 3dec s ILE 343 Cb -0.06 -2.73 0.05 0.00 -1.58 0.00 0.00 42.46 38.14 3dec s ILE 343 CO -0.00 0.41 0.87 0.59 -1.23 0.00 0.00 174.94 175.58 3dec n ASN 344 N 4.63 -3.38 0.00 3.58 3.02 -0.78 -1.33 115.26 121.00 3dec n ASN 344 Ca -0.17 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3dec n ASN 344 Cb 0.51 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 3dec n ASN 344 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dec n GLY 345 N -1.66 1.56 3.40 7.41 0.00 -1.26 -4.94 105.19 109.70 3dec n GLY 345 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3dec n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dec s VAL 346 N -3.43 3.83 0.09 1.61 1.01 -0.44 -5.05 120.40 118.02 3dec s VAL 346 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 3dec s VAL 346 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 3dec s VAL 346 CO 0.00 0.41 1.37 -2.16 0.00 0.00 0.00 175.10 174.72 3dec s PRO 347 N 1.24 4.33 0.23 2.72 0.04 -1.26 -0.94 135.00 141.36 3dec s PRO 347 Ca 0.03 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.20 3dec s PRO 347 Cb -0.15 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 3dec s PRO 347 CO 0.01 -0.44 -0.08 0.14 0.04 0.00 0.00 177.00 176.67 3dec s VAL 348 N 1.27 3.14 -0.09 -0.36 -7.23 -1.04 -4.94 120.40 111.16 3dec s VAL 348 Ca 0.64 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.70 3dec s VAL 348 Cb -0.35 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 3dec s VAL 348 CO 0.30 -0.26 0.64 -0.76 -0.31 0.00 0.00 175.10 174.71 3dec s LEU 349 N -3.26 4.30 -0.73 1.32 1.43 -1.26 -4.89 118.68 115.59 3dec s LEU 349 Ca 0.28 1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.24 3dec s LEU 349 Cb -0.07 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.26 3dec s LEU 349 CO 0.17 -0.09 1.02 -0.69 0.23 0.00 0.00 176.35 176.98 3dec s VAL 350 N 0.81 4.39 -0.71 -1.59 1.01 0.13 -4.96 120.40 119.47 3dec s VAL 350 Ca 0.34 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 3dec s VAL 350 Cb -0.17 -4.72 0.18 0.00 0.00 0.00 0.00 36.38 31.67 3dec s VAL 350 CO 0.16 -1.49 0.66 -0.54 0.00 0.00 0.00 175.10 173.89 3dec s LYS 351 N 3.83 3.36 0.10 2.72 1.02 -1.26 -1.54 119.74 127.96 3dec s LYS 351 Ca 0.25 -2.16 0.02 0.00 0.02 0.00 0.00 55.97 54.10 3dec s LYS 351 Cb -0.14 -4.38 -0.01 0.00 -0.52 0.00 0.00 37.83 32.79 3dec s LYS 351 CO 0.05 -1.31 0.07 0.41 -0.92 0.00 0.00 175.35 173.65 3dec n GLY 352 N 4.49 3.76 3.11 -3.33 0.00 -0.67 0.48 105.19 113.01 3dec n GLY 352 Ca 0.03 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 3dec n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dec s VAL 353 N -2.28 0.08 0.09 1.61 0.11 -0.64 -0.55 120.40 118.83 3dec s VAL 353 Ca 0.10 -0.70 -0.27 0.00 -2.93 0.00 0.00 61.98 58.17 3dec s VAL 353 Cb 0.00 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.35 3dec s VAL 353 CO 0.07 -0.39 0.86 0.20 -3.33 0.00 0.00 175.10 172.52 3dec s ASN 354 N -1.41 7.37 -0.14 3.54 0.01 0.45 -0.33 114.94 124.43 3dec s ASN 354 Ca -0.15 1.64 0.02 0.00 -0.71 0.00 0.00 52.86 53.67 3dec s ASN 354 Cb -0.07 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3dec s ASN 354 CO 0.01 -0.00 -0.22 -0.60 -1.51 0.00 0.00 177.10 174.78 3dec s ARG 355 N -0.15 3.03 0.30 -0.60 3.52 0.32 -0.53 118.95 124.85 3dec s ARG 355 Ca 0.42 -0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 55.15 3dec s ARG 355 Cb -0.22 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 3dec s ARG 355 CO 0.27 -0.00 0.53 -1.01 -0.81 0.00 0.00 175.30 174.27 3dec s HIS 356 N 0.79 3.49 -0.18 5.12 3.76 -1.26 -1.66 115.29 125.35 3dec s HIS 356 Ca -0.07 0.48 -0.16 0.00 -0.15 0.00 0.00 55.06 55.15 3dec s HIS 356 Cb -0.16 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 3dec s HIS 356 CO -0.01 0.17 0.41 -1.21 -0.85 0.00 0.00 174.74 173.24 3dec s GLU 357 N -3.87 4.23 -0.28 1.40 2.02 -1.26 -4.88 118.70 116.06 3dec s GLU 357 Ca 0.41 0.26 -0.17 0.00 0.02 0.00 0.00 54.97 55.49 3dec s GLU 357 Cb -0.10 -3.50 0.09 0.00 0.10 0.00 0.00 34.13 30.72 3dec s GLU 357 CO 0.33 0.05 0.76 -1.58 0.02 0.00 0.00 175.26 174.83 3dec s HIS 358 N 1.03 -0.93 0.09 1.61 2.46 -1.26 -4.56 115.29 113.74 3dec s HIS 358 Ca 0.21 1.90 -0.01 0.00 0.47 0.00 0.00 55.06 57.62 3dec s HIS 358 Cb -0.15 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 3dec s HIS 358 CO 0.08 -0.46 0.14 -1.13 -2.47 0.00 0.00 174.74 170.89 3dec n SER 359 N 3.99 -0.38 0.06 9.88 3.41 0.14 -4.92 113.62 125.79 3dec n SER 359 Ca -0.19 -1.47 0.09 0.00 -0.26 0.00 0.00 58.87 57.04 3dec n SER 359 Cb 0.58 0.70 0.37 0.00 -0.26 0.00 0.00 64.21 65.60 3dec n SER 359 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dec n GLN 360 N -0.14 0.08 0.00 4.33 1.13 -1.26 -1.25 117.38 120.27 3dec n GLN 360 Ca -0.00 0.35 0.13 0.00 -1.94 0.00 0.00 57.00 55.53 3dec n GLN 360 Cb 0.15 -1.66 0.34 0.00 0.11 0.00 0.00 30.24 29.18 3dec n GLN 360 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3dec n LEU 361 N -1.81 0.80 0.00 1.08 4.77 -1.26 -4.92 117.00 115.66 3dec n LEU 361 Ca 0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3dec n LEU 361 Cb 0.17 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dec n LEU 361 CO 0.15 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3dec n GLY 362 N 1.40 0.38 0.00 -0.72 0.00 -0.38 -3.09 105.19 102.77 3dec n GLY 362 Ca 0.10 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.82 3dec n GLY 362 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dec n ARG 363 N 0.00 0.76 -3.43 1.61 3.00 -1.26 -0.69 116.66 116.65 3dec n ARG 363 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 3dec n ARG 363 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.89 3dec n ARG 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3dec s THR 364 N -2.24 5.24 -0.09 5.15 2.01 -1.26 -4.50 115.64 119.95 3dec s THR 364 Ca 0.40 0.68 0.02 0.00 0.31 0.00 0.00 61.69 63.09 3dec s THR 364 Cb 0.21 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3dec s THR 364 CO 0.40 0.31 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 3dec s VAL 365 N 0.90 1.29 0.95 3.82 1.01 -1.26 -4.10 120.40 123.00 3dec s VAL 365 Ca 0.19 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 3dec s VAL 365 Cb -0.14 -1.19 0.16 0.00 0.00 0.00 0.00 36.38 35.21 3dec s VAL 365 CO 0.07 0.40 1.17 -0.94 0.00 0.00 0.00 175.10 175.80 3dec s SER 366 N 0.94 3.19 0.25 3.32 1.04 -1.26 -4.96 113.70 116.23 3dec s SER 366 Ca -0.09 0.77 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 3dec s SER 366 Cb -0.15 -1.20 0.31 0.00 0.10 0.00 0.00 66.02 65.08 3dec s SER 366 CO -0.00 -2.73 1.79 0.11 0.98 0.00 0.00 173.24 173.39 3dec h LYS 367 N -1.63 0.92 -0.35 4.02 1.57 -2.03 -3.18 116.57 115.90 3dec h LYS 367 Ca -0.48 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 57.95 3dec h LYS 367 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3dec h LYS 367 CO 0.54 0.83 -0.35 0.93 -0.57 0.00 0.00 179.45 180.83 3dec h GLU 368 N 0.88 0.80 -1.53 3.15 3.07 -2.05 -0.69 114.58 118.21 3dec h GLU 368 Ca 0.19 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3dec h GLU 368 Cb 0.33 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3dec h GLU 368 CO 0.00 1.02 0.00 1.28 -1.40 0.00 0.00 179.01 179.91 3dec n LEU 369 N -4.06 1.22 0.00 1.33 4.77 -1.20 -0.60 117.00 118.45 3dec n LEU 369 Ca -0.01 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3dec n LEU 369 Cb 0.51 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3dec n LEU 369 CO 0.47 0.20 0.00 -0.62 -1.33 0.00 0.00 177.39 176.11 3dec n GLU 371 N 0.77 0.00 -0.16 3.23 1.02 -0.27 -1.37 120.64 123.86 3dec n GLU 371 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3dec n GLU 371 Cb 0.20 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.69 3dec n GLU 371 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3dec h GLN 372 N 0.00 0.37 0.63 3.49 4.15 -1.10 0.24 115.11 122.89 3dec h GLN 372 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3dec h GLN 372 Cb 0.00 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3dec h GLN 372 CO 0.00 0.25 -0.50 -0.44 -1.93 0.00 0.00 178.83 176.21 3dec h ASP 373 N 0.38 -1.33 0.21 -0.69 3.32 -1.48 -1.41 116.42 115.42 3dec h ASP 373 Ca 0.24 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 3dec h ASP 373 Cb 0.24 0.42 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3dec h ASP 373 CO -0.23 -0.71 -0.13 -0.29 -1.72 0.00 0.00 179.24 176.16 3dec h ILE 374 N -1.10 0.87 0.42 0.35 2.10 -1.84 -2.80 117.51 115.51 3dec h ILE 374 Ca -0.08 -0.49 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 3dec h ILE 374 Cb 0.92 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 3dec h ILE 374 CO 0.01 0.13 -0.20 -0.09 -1.08 0.00 0.00 178.15 176.92 3dec h ARG 375 N 0.00 -0.54 -1.71 2.19 2.43 -0.38 -2.32 114.38 114.05 3dec h ARG 375 Ca -0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dec h ARG 375 Cb 0.27 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3dec h ARG 375 CO 0.02 -0.30 0.00 1.28 -1.51 0.00 0.00 179.97 179.46 3dec n LEU 376 N -5.28 0.59 0.00 3.80 4.77 -0.58 -1.70 117.00 118.59 3dec n LEU 376 Ca -0.11 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3dec n LEU 376 Cb 0.26 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3dec n LEU 376 CO 0.35 0.10 0.00 0.29 -1.33 0.00 0.00 177.39 176.79 3dec n LYS 378 N 0.87 0.00 0.05 3.23 4.76 -0.87 -1.99 118.16 124.22 3dec n LYS 378 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 3dec n LYS 378 Cb 0.10 0.00 0.28 0.00 -1.84 0.00 0.00 35.03 33.57 3dec n LYS 378 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dec n GLN 379 N 0.00 0.06 -0.45 1.97 6.02 -0.69 -2.17 117.38 122.12 3dec n GLN 379 Ca 0.00 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.50 3dec n GLN 379 Cb 0.00 -1.65 0.13 0.00 1.02 0.00 0.00 30.24 29.74 3dec n GLN 379 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dec n HIS 380 N -1.77 0.00 -1.98 1.08 8.25 -0.84 -4.98 115.22 114.98 3dec n HIS 380 Ca 0.01 -0.98 -0.15 0.00 -0.26 0.00 0.00 57.72 56.34 3dec n HIS 380 Cb 0.09 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.01 3dec n HIS 380 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3dec n ASN 381 N -0.94 -4.56 -4.74 0.41 3.02 -0.92 -3.91 115.26 103.61 3dec n ASN 381 Ca 0.14 0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.40 3dec n ASN 381 Cb 0.72 -3.59 -0.05 0.00 -0.61 0.00 0.00 39.78 36.25 3dec n ASN 381 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dec s ILE 382 N -2.67 4.43 -0.07 2.41 1.01 -1.26 -4.75 121.20 120.30 3dec s ILE 382 Ca 0.00 1.96 0.01 0.00 0.00 0.00 0.00 60.65 62.62 3dec s ILE 382 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3dec s ILE 382 CO 0.00 0.39 0.32 -0.46 0.00 0.00 0.00 174.94 175.19 3dec n ASN 383 N 2.37 0.64 -3.90 3.58 6.94 0.18 -4.51 115.26 120.56 3dec n ASN 383 Ca -0.00 -0.82 -0.11 0.00 -0.02 0.00 0.00 54.58 53.63 3dec n ASN 383 Cb 0.49 0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 38.23 3dec n ASN 383 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3dec s THR 384 N -0.49 0.09 -0.05 5.53 -4.23 -0.90 -0.87 115.64 114.72 3dec s THR 384 Ca 0.01 -0.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.79 3dec s THR 384 Cb 0.01 -0.43 -0.00 0.00 1.34 0.00 0.00 72.50 73.42 3dec s THR 384 CO 0.02 -0.42 -0.17 0.54 -0.54 0.00 0.00 174.62 174.04 3dec s VAL 385 N -1.50 1.43 -0.16 2.29 0.11 0.57 -1.63 120.40 121.53 3dec s VAL 385 Ca -0.14 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 3dec s VAL 385 Cb -0.08 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 3dec s VAL 385 CO 0.01 0.41 0.04 -0.60 -3.33 0.00 0.00 175.10 171.63 3dec s ARG 386 N 0.09 3.72 -0.87 1.54 3.52 0.55 -0.84 118.95 126.65 3dec s ARG 386 Ca -0.05 -0.36 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 3dec s ARG 386 Cb -0.12 -3.09 0.04 0.00 -1.56 0.00 0.00 34.95 30.22 3dec s ARG 386 CO 0.03 0.38 1.37 -0.80 -0.81 0.00 0.00 175.30 175.47 3dec s ASN 387 N 0.04 6.31 -0.11 -2.12 0.01 -0.05 -0.52 114.94 118.50 3dec s ASN 387 Ca 0.05 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.23 3dec s ASN 387 Cb -0.12 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.92 3dec s ASN 387 CO 0.01 -1.69 0.98 -1.20 -1.51 0.00 0.00 177.10 173.68 3dec n SER 388 N 9.21 -1.10 -0.25 -1.22 7.64 -0.67 -2.92 113.62 124.32 3dec n SER 388 Ca 0.18 -1.28 -0.03 0.00 1.01 0.00 0.00 58.87 58.75 3dec n SER 388 Cb 0.50 -0.49 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 3dec n SER 388 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3dec n HIS 389 N 6.02 0.00 -3.53 1.43 8.25 -1.26 -4.87 115.22 121.26 3dec n HIS 389 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 3dec n HIS 389 Cb 0.40 -1.04 -0.05 0.00 1.12 0.00 0.00 29.99 30.42 3dec n HIS 389 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3dec s TYR 390 N -1.94 -0.52 0.89 4.41 -0.85 -1.15 -3.95 117.35 114.24 3dec s TYR 390 Ca 0.00 0.81 -0.11 0.00 -0.52 0.00 0.00 57.07 57.26 3dec s TYR 390 Cb 0.00 0.45 0.13 0.00 0.38 0.00 0.00 41.96 42.92 3dec s TYR 390 CO 0.00 -0.53 1.11 -2.14 -1.52 0.00 0.00 175.55 172.47 3dec s PRO 391 N -1.55 1.22 0.48 -3.49 0.02 -0.95 -4.64 135.00 126.09 3dec s PRO 391 Ca -0.05 1.29 0.07 0.00 0.02 0.00 0.00 61.00 62.33 3dec s PRO 391 Cb -0.00 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.76 3dec s PRO 391 CO 0.04 -2.41 0.46 0.00 -0.33 0.00 0.00 177.00 174.76 3dec s ALA 392 N -2.74 4.31 0.19 -1.55 0.00 -1.26 -4.89 121.76 115.82 3dec s ALA 392 Ca 0.65 -1.73 -0.32 0.00 0.00 0.00 0.00 51.96 50.55 3dec s ALA 392 Cb -0.21 -1.03 -0.15 0.00 0.00 0.00 0.00 23.12 21.74 3dec s ALA 392 CO 0.58 -0.40 1.31 1.58 0.00 0.00 0.00 175.76 178.82 3dec n HIS 393 N -1.74 1.74 -0.31 0.00 -0.00 -1.26 -4.80 115.22 108.85 3dec n HIS 393 Ca 0.04 0.54 0.31 0.00 0.46 0.00 0.00 57.72 59.08 3dec n HIS 393 Cb 0.62 -2.38 0.68 0.00 -0.12 0.00 0.00 29.99 28.80 3dec n HIS 393 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dec h PRO 394 N 3.98 0.10 0.00 1.57 0.11 -1.97 0.60 132.00 136.40 3dec h PRO 394 Ca -0.44 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3dec h PRO 394 Cb 1.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3dec h PRO 394 CO 0.74 0.07 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.49 3dec h TYR 395 N 0.11 0.00 -0.33 0.65 3.20 -2.01 -2.58 116.97 116.01 3dec h TYR 395 Ca 0.56 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.40 3dec h TYR 395 Cb 2.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 3dec h TYR 395 CO -0.00 0.19 0.08 2.35 -1.64 0.00 0.00 178.16 179.14 3dec h TRP 396 N 0.00 0.47 0.01 -3.82 2.91 -1.21 -1.40 115.95 112.91 3dec h TRP 396 Ca -0.00 -0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.80 3dec h TRP 396 Cb 0.64 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 3dec h TRP 396 CO 0.00 0.41 -0.88 1.88 -1.03 0.00 0.00 178.44 178.82 3dec h TYR 397 N 0.47 0.23 -0.06 2.65 0.05 -1.60 -1.97 116.97 116.74 3dec h TYR 397 Ca 0.11 -0.13 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 3dec h TYR 397 Cb 0.17 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3dec h TYR 397 CO 0.01 0.95 -0.53 1.96 -1.05 0.00 0.00 178.16 179.50 3dec h GLN 398 N 0.08 0.17 -0.23 4.88 4.20 -1.44 -1.58 115.11 121.19 3dec h GLN 398 Ca -0.04 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 3dec h GLN 398 Cb 1.52 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 3dec h GLN 398 CO 0.13 0.66 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.87 3dec h LEU 399 N 0.14 0.40 -0.93 1.46 3.38 -1.02 -2.41 115.31 116.32 3dec h LEU 399 Ca 0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3dec h LEU 399 Cb 0.97 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3dec h LEU 399 CO 0.08 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.32 3dec h ASP 401 N 0.83 1.00 0.30 0.00 3.32 -1.33 -0.39 116.42 120.15 3dec h ASP 401 Ca 0.17 -0.17 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 3dec h ASP 401 Cb 0.37 -0.26 0.02 0.00 0.22 0.00 0.00 39.33 39.68 3dec h ASP 401 CO 0.01 0.92 -1.25 -0.09 -1.72 0.00 0.00 179.24 177.11 3dec h ARG 402 N 1.05 0.50 -0.00 3.56 9.65 -0.72 -3.36 114.38 125.05 3dec h ARG 402 Ca 0.23 -0.72 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3dec h ARG 402 Cb 0.26 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3dec h ARG 402 CO -0.01 1.32 -0.46 0.66 2.80 0.00 0.00 179.97 184.28 3dec n TYR 403 N -3.71 0.00 -0.41 2.20 4.01 -0.25 -4.81 117.16 114.19 3dec n TYR 403 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3dec n TYR 403 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3dec n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dec n GLY 404 N 1.21 0.05 2.94 2.72 0.00 -0.18 -4.78 105.19 107.16 3dec n GLY 404 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3dec n GLY 404 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dec s LEU 405 N -0.21 2.07 0.11 0.99 1.43 -1.05 -4.66 118.68 117.36 3dec s LEU 405 Ca 0.00 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 3dec s LEU 405 Cb 0.00 -0.10 -0.06 0.00 0.03 0.00 0.00 46.19 46.06 3dec s LEU 405 CO 0.00 -0.05 0.84 -0.31 0.23 0.00 0.00 176.35 177.07 3dec s TYR 406 N -0.43 3.82 -0.12 0.29 2.02 -0.05 -4.72 117.35 118.16 3dec s TYR 406 Ca -0.03 1.65 -0.02 0.00 -0.37 0.00 0.00 57.07 58.30 3dec s TYR 406 Cb -0.03 -2.90 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 3dec s TYR 406 CO -0.00 0.32 -0.06 0.08 -1.57 0.00 0.00 175.55 174.32 3dec s VAL 407 N -0.35 3.74 -0.41 0.71 1.01 0.16 -0.31 120.40 124.95 3dec s VAL 407 Ca 0.41 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3dec s VAL 407 Cb -0.22 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.63 3dec s VAL 407 CO 0.27 0.54 0.25 -0.63 0.00 0.00 0.00 175.10 175.52 3dec s ILE 408 N -0.06 4.25 0.27 2.22 1.01 -0.02 -1.13 121.20 127.73 3dec s ILE 408 Ca 0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.26 3dec s ILE 408 Cb -0.13 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 3dec s ILE 408 CO 0.03 -0.46 0.56 -0.62 0.00 0.00 0.00 174.94 174.45 3dec s ASP 409 N 2.02 6.50 -0.08 3.58 2.15 -0.84 -0.87 116.67 129.14 3dec s ASP 409 Ca 0.03 0.80 -0.06 0.00 0.43 0.00 0.00 52.55 53.75 3dec s ASP 409 Cb -0.22 -2.18 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 3dec s ASP 409 CO 0.03 -0.17 0.21 -0.70 -0.17 0.00 0.00 175.17 174.37 3dec s GLU 410 N -3.33 0.21 0.55 4.34 2.12 -1.26 -0.52 118.70 120.81 3dec s GLU 410 Ca 0.45 0.37 -0.20 0.00 0.36 0.00 0.00 54.97 55.95 3dec s GLU 410 Cb -0.11 -0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 3dec s GLU 410 CO 0.27 -0.09 1.21 0.00 -0.54 0.00 0.00 175.26 176.12 3dec s ALA 411 N 0.61 2.69 -1.31 6.30 0.00 -0.96 -2.23 121.76 126.85 3dec s ALA 411 Ca -0.04 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 3dec s ALA 411 Cb -0.06 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.70 3dec s ALA 411 CO -0.03 -1.04 1.78 -1.71 0.00 0.00 0.00 175.76 174.75 3dec n ASN 412 N -1.25 4.82 -3.44 0.00 5.15 -1.26 -4.27 115.26 115.02 3dec n ASN 412 Ca 0.12 -2.92 -0.16 0.00 -0.60 0.00 0.00 54.58 51.01 3dec n ASN 412 Cb 0.49 -1.70 -0.11 0.00 -0.53 0.00 0.00 39.78 37.93 3dec n ASN 412 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3dec s ILE 413 N 3.53 -0.41 -0.22 -1.44 1.01 -1.25 -4.80 121.20 117.62 3dec s ILE 413 Ca 0.51 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.92 3dec s ILE 413 Cb 0.05 -0.78 0.12 0.00 0.01 0.00 0.00 42.46 41.86 3dec s ILE 413 CO 0.04 -0.24 0.42 -0.70 0.00 0.00 0.00 174.94 174.45 3dec s GLU 414 N 2.38 0.35 -0.25 2.79 2.12 0.33 -1.19 118.70 125.24 3dec s GLU 414 Ca 0.09 0.83 0.09 0.00 0.36 0.00 0.00 54.97 56.34 3dec s GLU 414 Cb -0.15 0.01 0.44 0.00 0.26 0.00 0.00 34.13 34.69 3dec s GLU 414 CO -0.17 -0.44 1.20 -1.13 -0.54 0.00 0.00 175.26 174.18 3dec n SER 415 N 5.38 3.45 -0.44 -1.70 3.41 -1.17 -1.30 113.62 121.25 3dec n SER 415 Ca -0.06 -3.80 0.37 0.00 -0.26 0.00 0.00 58.87 55.11 3dec n SER 415 Cb 0.50 -0.43 0.62 0.00 -0.26 0.00 0.00 64.21 64.64 3dec n SER 415 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3dec n HIS 416 N -0.89 0.62 0.06 7.33 -0.00 0.39 -4.84 115.22 117.90 3dec n HIS 416 Ca 0.32 0.62 0.00 0.00 -0.00 0.00 0.00 57.72 58.67 3dec n HIS 416 Cb 0.84 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 3dec n HIS 416 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dec n GLY 417 N -1.48 0.42 0.00 1.57 0.00 -1.24 -4.88 105.19 99.58 3dec n GLY 417 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3dec n GLY 417 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dec n GLY 421 N 1.30 0.03 0.10 -0.02 0.00 -1.26 -4.93 105.19 100.41 3dec n GLY 421 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dec n GLY 421 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dec h PRO 422 N 0.00 0.00 -0.08 1.61 0.11 -2.04 -3.18 132.00 128.42 3dec h PRO 422 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dec h PRO 422 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dec h PRO 422 CO 0.00 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3dec n ALA 423 N -2.33 2.56 -1.65 -0.75 0.00 -1.26 -4.95 120.51 112.13 3dec n ALA 423 Ca -0.03 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 3dec n ALA 423 Cb 0.84 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3dec n ALA 423 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dec n SER 424 N -0.29 2.14 0.20 0.00 2.88 -1.20 -4.87 113.62 112.48 3dec n SER 424 Ca 0.14 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 59.02 3dec n SER 424 Cb 0.17 -1.40 0.56 0.00 -0.75 0.00 0.00 64.21 62.79 3dec n SER 424 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3dec h LEU 425 N 2.30 0.00 -1.80 2.46 3.38 -1.91 -2.16 115.31 117.59 3dec h LEU 425 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dec h LEU 425 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3dec h LEU 425 CO 0.62 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3dec h ALA 426 N 2.15 1.00 -0.00 1.53 0.00 -1.88 -3.26 119.26 118.80 3dec h ALA 426 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dec h ALA 426 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dec h ALA 426 CO 0.00 0.00 -0.28 1.63 0.00 0.00 0.00 179.25 180.60 3dec n LYS 427 N -2.93 4.07 -2.75 0.00 5.02 -0.83 -1.49 118.16 119.26 3dec n LYS 427 Ca -0.00 -0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.73 3dec n LYS 427 Cb 0.21 -0.87 -0.04 0.00 -0.02 0.00 0.00 35.03 34.32 3dec n LYS 427 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dec s ASP 428 N -1.51 6.34 0.00 4.39 -1.08 -1.13 -4.84 116.67 118.84 3dec s ASP 428 Ca 0.04 -0.30 0.05 0.00 -0.52 0.00 0.00 52.55 51.82 3dec s ASP 428 Cb 0.05 -2.48 0.26 0.00 -1.46 0.00 0.00 42.92 39.29 3dec s ASP 428 CO 0.26 -1.36 1.04 -1.54 0.52 0.00 0.00 175.17 174.08 3dec n SER 429 N 7.90 0.00 -0.13 -0.34 3.41 -1.26 -1.28 113.62 121.92 3dec n SER 429 Ca 0.03 0.27 0.15 0.00 -0.26 0.00 0.00 58.87 59.06 3dec n SER 429 Cb 0.48 -0.33 0.77 0.00 -0.26 0.00 0.00 64.21 64.86 3dec n SER 429 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3dec n THR 430 N -1.33 0.00 0.17 6.66 -2.24 -1.26 -2.49 114.28 113.80 3dec n THR 430 Ca 0.02 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 3dec n THR 430 Cb 0.05 -0.20 0.11 0.00 -2.10 0.00 0.00 70.33 68.19 3dec n THR 430 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3dec n TRP 431 N -0.77 0.25 -0.10 4.78 7.02 -0.40 -4.61 117.44 123.60 3dec n TRP 431 Ca 0.20 -0.24 -0.08 0.00 -1.02 0.00 0.00 57.50 56.36 3dec n TRP 431 Cb 0.21 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 3dec n TRP 431 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3dec h LEU 432 N 2.34 0.27 -0.98 -0.99 5.85 -1.61 -2.03 115.31 118.16 3dec h LEU 432 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 3dec h LEU 432 Cb 0.63 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3dec h LEU 432 CO 0.00 0.20 0.61 -0.65 -0.34 0.00 0.00 178.44 178.26 3dec h PRO 433 N 0.37 0.93 0.27 5.25 0.11 -1.81 0.69 132.00 137.81 3dec h PRO 433 Ca 0.14 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3dec h PRO 433 Cb 0.04 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.94 3dec h PRO 433 CO -0.09 0.62 -0.13 0.00 -0.21 0.00 0.00 178.00 178.19 3dec h ALA 434 N 1.53 -0.36 -0.38 -0.75 0.00 -1.71 -0.91 119.26 116.67 3dec h ALA 434 Ca 0.48 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.33 3dec h ALA 434 Cb 0.47 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3dec h ALA 434 CO -0.27 -0.64 0.06 0.45 0.00 0.00 0.00 179.25 178.85 3dec h HIS 435 N -0.48 0.09 -0.02 0.00 3.86 -0.52 0.14 115.15 118.23 3dec h HIS 435 Ca -0.04 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 3dec h HIS 435 Cb 0.36 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3dec h HIS 435 CO -0.03 -0.00 -0.72 0.97 0.86 0.00 0.00 177.93 179.01 3dec h ILE 436 N 0.18 1.47 -0.31 2.45 6.09 -0.96 -1.85 117.51 124.59 3dec h ILE 436 Ca 0.18 -2.35 -0.03 0.00 -1.37 0.00 0.00 64.86 61.29 3dec h ILE 436 Cb 0.23 2.26 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 3dec h ILE 436 CO -0.26 0.68 0.06 -0.78 -3.07 0.00 0.00 178.15 174.78 3dec h ASP 437 N 0.07 0.49 0.17 2.19 3.58 -0.57 -0.29 116.42 122.05 3dec h ASP 437 Ca -0.01 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 3dec h ASP 437 Cb 1.27 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 3dec h ASP 437 CO 0.10 0.61 -0.18 0.03 -2.88 0.00 0.00 179.24 176.92 3dec h ARG 438 N 0.34 0.04 0.04 0.28 3.08 -0.55 -2.61 114.38 115.00 3dec h ARG 438 Ca 0.10 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3dec h ARG 438 Cb 0.33 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3dec h ARG 438 CO 0.00 0.22 -0.21 1.15 -1.07 0.00 0.00 179.97 180.07 3dec h THR 439 N 0.04 1.72 -0.74 2.04 2.02 -1.05 -3.28 112.91 113.67 3dec h THR 439 Ca 0.01 -2.39 0.14 0.00 0.77 0.00 0.00 66.41 64.93 3dec h THR 439 Cb 0.35 3.34 -0.10 0.00 -1.74 0.00 0.00 68.15 70.01 3dec h THR 439 CO 0.02 0.64 0.27 0.03 0.37 0.00 0.00 175.52 176.85 3dec h ARG 440 N -0.83 0.40 -0.64 6.66 3.08 -1.01 -0.83 114.38 121.19 3dec h ARG 440 Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dec h ARG 440 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3dec h ARG 440 CO 0.04 0.26 0.00 0.54 -1.07 0.00 0.00 179.97 179.74 3dec n ARG 441 N -5.03 0.15 0.00 0.04 1.74 -0.99 -0.42 116.66 112.16 3dec n ARG 441 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3dec n ARG 441 Cb 0.41 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3dec n ARG 441 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3dec n TYR 443 N 0.57 0.00 -0.12 -1.55 9.36 -0.32 -2.79 117.16 122.31 3dec n TYR 443 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 3dec n TYR 443 Cb 0.05 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.75 3dec n TYR 443 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3dec h GLU 444 N 0.00 0.53 0.00 2.98 4.39 -1.00 -0.04 114.58 121.44 3dec h GLU 444 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3dec h GLU 444 Cb 0.00 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3dec h GLU 444 CO 0.00 0.47 -0.04 0.07 -1.16 0.00 0.00 179.01 178.34 3dec h ARG 445 N 0.47 0.00 0.00 2.33 0.11 -1.42 -3.14 114.38 112.72 3dec h ARG 445 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3dec h ARG 445 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3dec h ARG 445 CO -0.02 0.04 0.00 0.43 0.10 0.00 0.00 179.97 180.53 3dec n SER 446 N -3.21 0.17 0.33 0.08 7.64 -0.99 -4.46 113.62 113.19 3dec n SER 446 Ca -0.01 -0.53 0.02 0.00 1.01 0.00 0.00 58.87 59.36 3dec n SER 446 Cb 0.26 0.66 0.13 0.00 -1.01 0.00 0.00 64.21 64.25 3dec n SER 446 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3dec h LYS 447 N 0.00 0.00 -0.29 1.43 2.10 -1.09 -1.64 116.57 117.08 3dec h LYS 447 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dec h LYS 447 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3dec h LYS 447 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3dec n ASN 448 N -2.56 2.84 -4.68 7.07 3.02 -1.26 -4.77 115.26 114.92 3dec n ASN 448 Ca -0.00 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.28 3dec n ASN 448 Cb 0.90 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.85 3dec n ASN 448 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dec s HIS 449 N -1.09 3.46 0.31 3.10 3.76 -0.62 -4.85 115.29 119.37 3dec s HIS 449 Ca 0.25 1.37 0.16 0.00 -0.15 0.00 0.00 55.06 56.69 3dec s HIS 449 Cb 0.15 -3.06 0.74 0.00 1.11 0.00 0.00 32.58 31.51 3dec s HIS 449 CO 0.20 -0.22 1.80 -1.00 -0.85 0.00 0.00 174.74 174.67 3dec h PRO 450 N 7.22 0.00 0.00 8.40 0.13 -1.89 -3.04 132.00 142.82 3dec h PRO 450 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 3dec h PRO 450 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dec h PRO 450 CO 0.84 0.38 -0.07 0.66 -0.23 0.00 0.00 178.00 179.58 3dec h SER 451 N 0.00 0.00 -3.57 1.44 4.64 -1.87 -3.40 113.55 110.79 3dec h SER 451 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.73 3dec h SER 451 Cb 0.75 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.75 3dec h SER 451 CO 0.05 0.07 0.73 -0.69 -0.87 0.00 0.00 176.83 176.12 3dec s VAL 452 N -4.30 4.44 -0.11 0.95 1.01 -1.15 0.38 120.40 121.62 3dec s VAL 452 Ca -0.03 1.18 0.13 0.00 0.00 0.00 0.00 61.98 63.25 3dec s VAL 452 Cb 0.14 -4.45 -0.18 0.00 0.00 0.00 0.00 36.38 31.88 3dec s VAL 452 CO 0.56 -0.74 0.11 1.33 0.00 0.00 0.00 175.10 176.36 3dec n VAL 453 N 6.32 0.73 -4.46 2.92 0.24 -0.29 -4.91 118.33 118.88 3dec n VAL 453 Ca 0.09 -0.53 -0.21 0.00 -2.04 0.00 0.00 64.34 61.65 3dec n VAL 453 Cb 0.48 -0.45 -0.16 0.00 -1.47 0.00 0.00 33.84 32.24 3dec n VAL 453 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3dec s ILE 454 N -2.49 0.88 -0.01 1.34 -1.09 -1.20 -3.99 121.20 114.64 3dec s ILE 454 Ca -0.06 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.82 3dec s ILE 454 Cb 0.05 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 40.10 3dec s ILE 454 CO 0.57 0.27 0.35 0.26 -1.23 0.00 0.00 174.94 175.16 3dec s TRP 455 N 0.16 3.68 0.04 3.97 0.52 -0.74 -1.98 118.94 124.59 3dec s TRP 455 Ca -0.03 0.86 0.08 0.00 0.02 0.00 0.00 56.10 57.04 3dec s TRP 455 Cb -0.09 -2.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.01 3dec s TRP 455 CO 0.01 0.64 -0.23 0.45 0.02 0.00 0.00 176.95 177.84 3dec s SER 456 N -1.19 3.41 0.00 2.95 0.15 0.32 -0.03 113.70 119.30 3dec s SER 456 Ca 0.24 -0.53 0.27 0.00 0.70 0.00 0.00 55.95 56.63 3dec s SER 456 Cb -0.15 -0.41 0.89 0.00 -1.71 0.00 0.00 66.02 64.64 3dec s SER 456 CO 0.12 0.26 1.68 0.18 1.20 0.00 0.00 173.24 176.68 3dec n LEU 457 N 1.70 0.28 0.00 3.45 4.77 -0.57 -2.27 117.00 124.36 3dec n LEU 457 Ca -0.17 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3dec n LEU 457 Cb 0.52 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3dec n LEU 457 CO 0.24 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3dec n GLY 458 N 1.48 0.31 1.42 -0.72 0.00 -1.26 -4.59 105.19 101.84 3dec n GLY 458 Ca 0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3dec n GLY 458 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dec n ASN 459 N 1.09 0.00 -3.26 1.61 5.15 -0.33 -4.72 115.26 114.80 3dec n ASN 459 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 3dec n ASN 459 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 3dec n ASN 459 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dec n GLU 460 N -2.23 2.49 0.00 1.20 1.02 -1.26 -4.53 120.64 117.33 3dec n GLU 460 Ca 0.00 -4.54 0.00 0.00 -0.02 0.00 0.00 57.16 52.60 3dec n GLU 460 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 3dec n GLU 460 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dec n ALA 461 N 0.59 1.97 -0.13 0.62 0.00 -1.26 -0.46 120.51 121.83 3dec n ALA 461 Ca 0.29 -0.84 0.02 0.00 0.00 0.00 0.00 53.44 52.90 3dec n ALA 461 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 3dec n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dec n GLY 462 N -0.36 -2.16 3.74 0.00 0.00 -1.26 -3.94 105.19 101.21 3dec n GLY 462 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 3dec n GLY 462 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dec s ASN 463 N -5.01 5.16 0.00 1.61 3.84 -1.26 -4.84 114.94 114.45 3dec s ASN 463 Ca 0.00 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 52.81 3dec s ASN 463 Cb 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 41.25 39.46 3dec s ASN 463 CO 0.00 0.07 0.00 0.61 -2.79 0.00 0.00 177.10 174.99 3dec n GLY 464 N -0.27 -1.12 0.36 1.21 0.00 -1.26 -4.58 105.19 99.53 3dec n GLY 464 Ca -0.09 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 44.99 3dec n GLY 464 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dec h ILE 465 N 0.00 0.95 -0.37 -0.61 6.09 -1.86 -1.50 117.51 120.21 3dec h ILE 465 Ca 0.00 -0.24 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 3dec h ILE 465 Cb 0.00 0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.46 3dec h ILE 465 CO 0.00 0.13 0.23 0.78 -3.07 0.00 0.00 178.15 176.22 3dec h ASN 466 N 0.70 0.38 1.38 2.19 2.35 -1.61 0.43 115.58 121.41 3dec h ASN 466 Ca 0.35 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3dec h ASN 466 Cb 0.44 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3dec h ASN 466 CO -0.13 0.28 0.00 -0.26 -1.65 0.00 0.00 177.43 175.67 3dec h PHE 467 N 0.47 0.00 -0.28 1.19 0.04 -1.65 0.12 116.94 116.83 3dec h PHE 467 Ca 0.14 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.73 3dec h PHE 467 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 3dec h PHE 467 CO -0.06 0.00 -0.55 0.93 -0.60 0.00 0.00 178.31 178.02 3dec h GLU 468 N 0.00 0.84 -0.14 1.51 5.08 -0.56 0.62 114.58 121.93 3dec h GLU 468 Ca 0.00 -0.53 -0.19 0.00 -1.00 0.00 0.00 59.36 57.63 3dec h GLU 468 Cb 0.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3dec h GLU 468 CO 0.00 1.17 -0.70 0.00 -1.00 0.00 0.00 179.01 178.48 3dec h ARG 469 N 0.64 0.60 0.26 2.33 2.47 -0.57 0.13 114.38 120.24 3dec h ARG 469 Ca 0.01 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 3dec h ARG 469 Cb 1.15 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 3dec h ARG 469 CO 0.12 1.08 -0.13 1.15 0.56 0.00 0.00 179.97 182.75 3dec h THR 470 N 0.42 0.77 -0.02 2.04 2.02 -1.00 0.89 112.91 118.03 3dec h THR 470 Ca -0.03 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.01 3dec h THR 470 Cb 1.29 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3dec h THR 470 CO 0.13 0.04 -0.17 0.22 0.37 0.00 0.00 175.52 176.11 3dec h TYR 471 N -0.44 -0.44 0.10 3.16 3.20 -0.86 -0.42 116.97 121.28 3dec h TYR 471 Ca -0.04 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3dec h TYR 471 Cb 0.33 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3dec h TYR 471 CO -0.04 -0.24 -0.32 -0.44 -1.64 0.00 0.00 178.16 175.48 3dec h ASP 472 N -0.27 -0.93 -0.28 -2.11 3.32 -0.61 -0.80 116.42 114.75 3dec h ASP 472 Ca 0.06 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3dec h ASP 472 Cb 0.35 0.35 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 3dec h ASP 472 CO -0.17 -0.40 -0.11 -0.25 -1.72 0.00 0.00 179.24 176.58 3dec h TRP 473 N -0.53 -0.26 -0.77 4.55 7.01 -0.74 -1.84 115.95 123.35 3dec h TRP 473 Ca 0.03 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.11 3dec h TRP 473 Cb 0.57 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 3dec h TRP 473 CO -0.29 -0.17 0.48 1.25 -2.79 0.00 0.00 178.44 176.91 3dec h LEU 474 N -0.06 0.77 -1.58 0.65 6.46 -0.64 -0.97 115.31 119.93 3dec h LEU 474 Ca 0.14 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3dec h LEU 474 Cb 0.28 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3dec h LEU 474 CO -0.32 0.52 -0.22 0.11 -0.62 0.00 0.00 178.44 177.90 3dec h LYS 475 N 0.91 0.00 0.00 1.25 1.79 -0.77 0.95 116.57 120.71 3dec h LYS 475 Ca 0.32 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 3dec h LYS 475 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3dec h LYS 475 CO -0.14 0.22 -0.54 0.66 -1.08 0.00 0.00 179.45 178.57 3dec h SER 476 N 0.00 0.00 0.00 0.86 4.64 -0.35 -3.28 113.55 115.43 3dec h SER 476 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3dec h SER 476 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3dec h SER 476 CO 0.03 0.54 -1.86 1.33 -0.87 0.00 0.00 176.83 176.00 3dec n VAL 477 N -3.50 0.11 -3.78 0.95 0.24 -1.01 -4.87 118.33 106.47 3dec n VAL 477 Ca 0.00 -0.44 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 3dec n VAL 477 Cb 0.64 0.02 -0.13 0.00 -1.47 0.00 0.00 33.84 32.91 3dec n VAL 477 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3dec s GLU 478 N -3.18 2.54 -0.00 7.34 2.56 0.30 -4.93 118.70 123.33 3dec s GLU 478 Ca -0.07 -1.25 0.22 0.00 0.00 0.00 0.00 54.97 53.87 3dec s GLU 478 Cb 0.11 -3.42 -0.17 0.00 2.00 0.00 0.00 34.13 32.65 3dec s GLU 478 CO 0.75 -0.69 0.88 1.63 -0.56 0.00 0.00 175.26 177.27 3dec n LYS 479 N 4.76 0.12 -0.18 4.30 4.76 -1.26 -4.57 118.16 126.08 3dec n LYS 479 Ca -0.12 -0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.38 3dec n LYS 479 Cb 0.44 -1.51 0.14 0.00 -1.84 0.00 0.00 35.03 32.26 3dec n LYS 479 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3dec n ASN 480 N -1.64 2.08 -3.78 4.39 3.02 -1.26 -4.94 115.26 113.13 3dec n ASN 480 Ca 0.03 -3.08 -0.13 0.00 -0.03 0.00 0.00 54.58 51.37 3dec n ASN 480 Cb 0.37 -0.42 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 3dec n ASN 480 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dec s ARG 481 N -2.67 0.27 0.78 3.52 0.52 -1.26 -4.26 118.95 115.85 3dec s ARG 481 Ca 0.30 0.38 -0.14 0.00 -0.52 0.00 0.00 55.73 55.76 3dec s ARG 481 Cb 0.27 0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.89 3dec s ARG 481 CO 0.01 -0.06 1.20 -2.14 0.02 0.00 0.00 175.30 174.33 3dec s PRO 482 N 0.38 1.81 -0.13 3.54 0.02 -1.26 -4.84 135.00 134.52 3dec s PRO 482 Ca -0.02 1.72 0.01 0.00 0.02 0.00 0.00 61.00 62.73 3dec s PRO 482 Cb -0.04 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.71 3dec s PRO 482 CO -0.02 -2.07 -0.13 0.08 -0.33 0.00 0.00 177.00 174.53 3dec s VAL 483 N -2.14 1.42 0.33 3.83 1.01 -1.26 -1.79 120.40 121.80 3dec s VAL 483 Ca 0.73 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3dec s VAL 483 Cb -0.28 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3dec s VAL 483 CO 0.49 0.43 0.12 0.00 0.00 0.00 0.00 175.10 176.14 3dec s GLN 484 N 1.39 2.35 -0.24 2.72 -2.07 0.96 -0.38 119.66 124.39 3dec s GLN 484 Ca 0.02 -1.55 -0.05 0.00 -1.82 0.00 0.00 55.36 51.95 3dec s GLN 484 Cb -0.13 -2.16 0.12 0.00 -1.09 0.00 0.00 33.01 29.75 3dec s GLN 484 CO -0.08 0.13 0.47 -0.47 -1.32 0.00 0.00 175.29 174.03 3dec s TYR 485 N -2.42 -1.01 0.40 9.60 5.04 -1.26 -1.51 117.35 126.19 3dec s TYR 485 Ca 0.37 1.47 0.07 0.00 -2.44 0.00 0.00 57.07 56.54 3dec s TYR 485 Cb -0.03 0.34 0.81 0.00 0.35 0.00 0.00 41.96 43.43 3dec s TYR 485 CO 0.22 -0.64 2.01 1.49 -1.34 0.00 0.00 175.55 177.30 3dec h GLU 486 N 8.12 0.51 -0.00 4.97 4.22 -1.87 -2.20 114.58 128.33 3dec h GLU 486 Ca -0.18 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.21 3dec h GLU 486 Cb 1.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3dec h GLU 486 CO 0.18 0.39 -0.02 0.54 -2.18 0.00 0.00 179.01 177.93 3dec n ARG 487 N -4.42 1.09 0.13 1.92 5.12 -1.26 -3.29 116.66 115.95 3dec n ARG 487 Ca 0.02 -0.28 -0.01 0.00 -1.93 0.00 0.00 57.85 55.65 3dec n ARG 487 Cb 0.11 -1.49 0.15 0.00 -1.16 0.00 0.00 32.46 30.07 3dec n ARG 487 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dec h ALA 488 N 4.00 0.92 -0.85 7.54 0.00 -1.72 -3.38 119.26 125.76 3dec h ALA 488 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3dec h ALA 488 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dec h ALA 488 CO 0.00 0.80 0.00 0.39 0.00 0.00 0.00 179.25 180.44 3dec n GLU 489 N -3.74 0.00 -0.00 0.00 1.02 -1.21 -2.26 120.64 114.46 3dec n GLU 489 Ca -0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 3dec n GLU 489 Cb 0.64 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.11 3dec n GLU 489 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dec n GLU 490 N 0.00 0.59 -0.66 3.49 1.02 -1.26 -4.78 120.64 119.04 3dec n GLU 490 Ca 0.00 -1.18 -0.29 0.00 -0.02 0.00 0.00 57.16 55.67 3dec n GLU 490 Cb 0.00 -1.22 0.21 0.00 -0.02 0.00 0.00 31.44 30.42 3dec n GLU 490 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3dec s ASN 491 N -0.95 1.80 0.28 1.62 -0.87 -0.96 -4.91 114.94 110.96 3dec s ASN 491 Ca 0.13 1.71 -0.02 0.00 -1.57 0.00 0.00 52.86 53.12 3dec s ASN 491 Cb 0.09 -2.37 0.41 0.00 -0.02 0.00 0.00 41.25 39.37 3dec s ASN 491 CO 0.14 -3.72 1.87 0.10 -2.57 0.00 0.00 177.10 172.92 3dec h TYR 492 N -2.29 0.92 0.00 2.20 -0.00 -1.96 -3.32 116.97 112.52 3dec h TYR 492 Ca -0.55 -0.05 -0.05 0.00 0.00 0.00 0.00 58.73 58.08 3dec h TYR 492 Cb 1.31 -0.28 -0.02 0.00 0.00 0.00 0.00 36.73 37.74 3dec h TYR 492 CO 0.35 0.70 0.08 0.27 -0.00 0.00 0.00 178.16 179.56 3dec n ASN 493 N -4.32 2.24 -3.64 0.10 6.94 -1.26 -4.59 115.26 110.74 3dec n ASN 493 Ca 0.06 -1.80 -0.09 0.00 -0.02 0.00 0.00 54.58 52.73 3dec n ASN 493 Cb 0.16 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 36.96 3dec n ASN 493 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3dec s THR 494 N 1.77 0.00 -1.26 5.53 -1.32 -1.25 -4.34 115.64 114.77 3dec s THR 494 Ca 0.18 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.89 3dec s THR 494 Cb 0.08 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 3dec s THR 494 CO 0.00 0.00 1.26 0.47 -2.21 0.00 0.00 174.62 174.14 3dec n ASP 495 N 3.53 0.92 -3.86 8.08 9.92 0.49 -4.88 116.55 130.75 3dec n ASP 495 Ca -0.17 -0.73 -0.13 0.00 -0.53 0.00 0.00 54.79 53.23 3dec n ASP 495 Cb 0.57 0.47 -0.14 0.00 -0.64 0.00 0.00 41.12 41.38 3dec n ASP 495 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3dec s ILE 496 N -2.85 0.01 -0.44 0.53 1.01 -1.26 -4.67 121.20 113.52 3dec s ILE 496 Ca 0.13 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 3dec s ILE 496 Cb 0.17 -0.03 0.02 0.00 0.01 0.00 0.00 42.46 42.64 3dec s ILE 496 CO 0.70 0.02 0.89 -0.47 0.00 0.00 0.00 174.94 176.08 3dec s TYR 497 N 0.16 2.96 -0.04 3.97 5.04 -0.36 -4.57 117.35 124.51 3dec s TYR 497 Ca -0.01 0.39 0.20 0.00 -2.44 0.00 0.00 57.07 55.21 3dec s TYR 497 Cb -0.02 -3.85 -0.30 0.00 0.35 0.00 0.00 41.96 38.14 3dec s TYR 497 CO -0.00 -1.03 0.40 0.00 -1.34 0.00 0.00 175.55 173.58 3dec n ARG 499 N -2.25 0.00 -0.04 0.00 3.00 -1.26 -2.28 116.66 113.83 3dec n ARG 499 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 3dec n ARG 499 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 3dec n ARG 499 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3dec n TYR 501 N 0.00 0.00 -2.21 -0.14 4.01 0.68 -4.22 117.16 115.28 3dec n TYR 501 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3dec n TYR 501 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3dec n TYR 501 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3dec s ARG 502 N 0.00 3.33 0.59 -0.72 1.81 -1.26 -4.43 118.95 118.26 3dec s ARG 502 Ca 0.00 1.52 -0.15 0.00 -1.72 0.00 0.00 55.73 55.39 3dec s ARG 502 Cb 0.00 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.45 3dec s ARG 502 CO 0.00 -0.85 1.03 -1.54 -0.68 0.00 0.00 175.30 173.26 3dec s SER 503 N -1.98 6.01 0.28 0.23 1.04 -1.26 -4.87 113.70 113.16 3dec s SER 503 Ca 0.71 1.67 -0.03 0.00 0.48 0.00 0.00 55.95 58.78 3dec s SER 503 Cb -0.22 -2.51 0.59 0.00 0.10 0.00 0.00 66.02 63.98 3dec s SER 503 CO 0.29 -1.01 1.58 0.58 0.98 0.00 0.00 173.24 175.66 3dec h VAL 504 N 0.32 0.09 -0.51 5.02 2.07 -1.95 0.08 116.25 121.37 3dec h VAL 504 Ca -0.46 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3dec h VAL 504 Cb 1.20 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3dec h VAL 504 CO 0.59 0.00 0.31 0.44 0.02 0.00 0.00 177.57 178.93 3dec h ASP 505 N 0.03 0.60 -0.39 0.57 3.32 -1.99 -1.65 116.42 116.91 3dec h ASP 505 Ca 0.52 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.45 3dec h ASP 505 Cb 0.96 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3dec h ASP 505 CO -0.89 0.48 0.02 0.58 -1.72 0.00 0.00 179.24 177.71 3dec h VAL 506 N 0.68 1.23 -0.64 -1.35 2.07 -1.39 0.26 116.25 117.11 3dec h VAL 506 Ca 0.18 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 3dec h VAL 506 Cb -0.02 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3dec h VAL 506 CO -0.03 0.34 0.32 0.40 0.02 0.00 0.00 177.57 178.61 3dec h ILE 507 N 0.72 1.22 -0.22 4.57 2.04 -1.09 -2.40 117.51 122.35 3dec h ILE 507 Ca 0.14 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 3dec h ILE 507 Cb 0.41 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3dec h ILE 507 CO 0.02 0.25 -0.20 0.03 0.00 0.00 0.00 178.15 178.24 3dec h ARG 508 N 0.89 0.40 -0.23 2.37 3.08 -0.20 -2.17 114.38 118.51 3dec h ARG 508 Ca 0.22 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3dec h ARG 508 Cb 0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3dec h ARG 508 CO -0.03 0.59 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.51 3dec h ASN 509 N 0.36 0.32 -0.02 7.04 2.35 -0.24 -3.25 115.58 122.13 3dec h ASN 509 Ca 0.06 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3dec h ASN 509 Cb 0.56 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3dec h ASN 509 CO 0.04 0.40 -0.15 0.22 -1.65 0.00 0.00 177.43 176.29 3dec h TYR 510 N 0.33 0.20 0.00 1.19 3.20 -0.91 -3.36 116.97 117.62 3dec h TYR 510 Ca 0.07 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3dec h TYR 510 Cb 0.28 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3dec h TYR 510 CO 0.01 0.81 0.00 1.55 -1.64 0.00 0.00 178.16 178.88 3dec n VAL 511 N -4.61 0.03 0.53 1.81 3.14 -0.92 -2.23 118.33 116.08 3dec n VAL 511 Ca -0.09 0.01 0.09 0.00 -2.96 0.00 0.00 64.34 61.39 3dec n VAL 511 Cb 0.42 -0.52 0.11 0.00 -1.06 0.00 0.00 33.84 32.79 3dec n VAL 511 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3dec n VAL 512 N -1.37 0.20 -2.53 1.55 3.14 -1.23 -4.92 118.33 113.17 3dec n VAL 512 Ca 0.11 -0.60 -0.36 0.00 -2.96 0.00 0.00 64.34 60.53 3dec n VAL 512 Cb 0.27 1.19 -0.04 0.00 -1.06 0.00 0.00 33.84 34.21 3dec n VAL 512 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3dec s ARG 513 N -1.38 4.13 0.00 1.45 0.52 -0.95 -4.99 118.95 117.73 3dec s ARG 513 Ca 0.24 1.52 0.22 0.00 -0.52 0.00 0.00 55.73 57.19 3dec s ARG 513 Cb 0.16 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 33.05 3dec s ARG 513 CO 0.23 -0.17 1.02 0.36 0.02 0.00 0.00 175.30 176.76 3dec n LYS 514 N -0.13 0.22 -0.95 3.54 2.85 -1.26 -4.44 118.16 118.00 3dec n LYS 514 Ca 0.05 -0.18 -0.05 0.00 -1.05 0.00 0.00 58.31 57.08 3dec n LYS 514 Cb 0.50 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.67 3dec n LYS 514 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3dec n ASP 515 N -1.23 4.69 -4.72 -5.58 5.75 -1.26 -4.94 116.55 109.26 3dec n ASP 515 Ca 0.05 -3.11 -0.26 0.00 -0.01 0.00 0.00 54.79 51.46 3dec n ASP 515 Cb 0.35 -0.73 -0.07 0.00 -1.03 0.00 0.00 41.12 39.65 3dec n ASP 515 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3dec s ILE 516 N -2.79 4.03 0.00 2.12 -4.36 -1.26 -5.01 121.20 113.93 3dec s ILE 516 Ca 0.51 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 3dec s ILE 516 Cb 0.41 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3dec s ILE 516 CO 0.13 -0.14 0.38 0.00 0.24 0.00 0.00 174.94 175.54 3dec n TYR 517 N -0.32 0.00 -4.70 1.37 0.18 -1.26 -5.08 117.16 107.36 3dec n TYR 517 Ca -0.09 -0.05 -0.25 0.00 1.88 0.00 0.00 57.90 59.40 3dec n TYR 517 Cb 0.55 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.35 3dec n TYR 517 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3dec s ARG 518 N -0.09 1.69 0.46 -3.48 0.52 -1.26 -4.23 118.95 112.56 3dec s ARG 518 Ca 0.00 -0.51 -0.24 0.00 -0.52 0.00 0.00 55.73 54.46 3dec s ARG 518 Cb 0.00 -1.44 -0.07 0.00 0.52 0.00 0.00 34.95 33.96 3dec s ARG 518 CO 0.00 0.14 1.32 -1.25 0.02 0.00 0.00 175.30 175.53 3dec s PRO 519 N 0.30 3.63 -0.47 3.54 0.04 -0.93 -4.61 135.00 136.52 3dec s PRO 519 Ca -0.08 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.87 3dec s PRO 519 Cb -0.13 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.91 3dec s PRO 519 CO 0.03 -0.77 0.88 0.12 0.04 0.00 0.00 177.00 177.30 3dec s PHE 520 N -1.31 2.93 -0.19 0.56 5.99 -1.26 -1.22 117.98 123.47 3dec s PHE 520 Ca 0.63 0.26 -0.01 0.00 0.00 0.00 0.00 56.93 57.82 3dec s PHE 520 Cb -0.38 -3.88 0.05 0.00 0.00 0.00 0.00 43.02 38.81 3dec s PHE 520 CO 0.47 -1.09 -0.04 0.42 -0.00 0.00 0.00 175.22 174.99 3dec s ILE 521 N 3.62 1.12 -0.20 3.12 1.01 0.07 -1.67 121.20 128.27 3dec s ILE 521 Ca 0.34 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 3dec s ILE 521 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3dec s ILE 521 CO 0.24 -0.01 1.94 -0.76 0.00 0.00 0.00 174.94 176.35 3dec s LEU 522 N 1.60 3.72 0.13 2.97 1.02 0.77 -4.15 118.68 124.75 3dec s LEU 522 Ca -0.02 1.81 -0.15 0.00 0.02 0.00 0.00 54.13 55.80 3dec s LEU 522 Cb -0.17 -3.52 -0.00 0.00 0.02 0.00 0.00 46.19 42.52 3dec s LEU 522 CO -0.07 -1.59 1.65 0.00 0.02 0.00 0.00 176.35 176.35 3dec s GLU 524 N -5.36 0.23 0.18 0.00 2.02 -1.25 -4.05 118.70 110.46 3dec s GLU 524 Ca -0.13 -0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.60 3dec s GLU 524 Cb 0.10 -0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.11 3dec s GLU 524 CO 0.77 -0.01 0.60 1.52 0.02 0.00 0.00 175.26 178.17 3dec s TYR 525 N 0.29 -0.47 -0.92 1.61 -0.85 -0.62 -0.23 117.35 116.16 3dec s TYR 525 Ca -0.03 0.21 -0.04 0.00 -0.52 0.00 0.00 57.07 56.69 3dec s TYR 525 Cb -0.05 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 3dec s TYR 525 CO -0.01 -0.90 0.80 -0.11 -1.52 0.00 0.00 175.55 173.81 3dec n LEU 526 N -0.38 -4.90 -4.51 -3.49 7.94 -1.26 -1.88 117.00 108.51 3dec n LEU 526 Ca -0.15 -0.59 -0.50 0.00 -1.11 0.00 0.00 56.01 53.65 3dec n LEU 526 Cb 0.64 -2.81 -0.06 0.00 0.53 0.00 0.00 43.42 41.72 3dec n LEU 526 CO 0.13 0.12 1.73 1.57 -1.11 0.00 0.00 177.39 179.83 3dec n HIS 527 N -3.09 1.77 -2.94 1.96 -0.00 -1.26 -4.07 115.22 107.60 3dec n HIS 527 Ca -0.09 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 3dec n HIS 527 Cb 0.61 -2.56 -0.05 0.00 -0.00 0.00 0.00 29.99 27.99 3dec n HIS 527 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3dec s ALA 528 N 6.67 3.35 0.00 1.57 0.00 0.20 -4.19 121.76 129.36 3dec s ALA 528 Ca 1.06 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3dec s ALA 528 Cb -0.80 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 18.87 3dec s ALA 528 CO 0.50 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.95 3dec n GLY 530 N 4.73 0.00 3.55 0.00 0.00 -1.26 -3.26 105.19 108.95 3dec n GLY 530 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3dec n GLY 530 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dec s ASN 531 N 0.00 6.15 0.00 1.61 3.84 -1.26 -4.89 114.94 120.39 3dec s ASN 531 Ca 0.00 -0.53 0.00 0.00 0.21 0.00 0.00 52.86 52.54 3dec s ASN 531 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3dec s ASN 531 CO 0.00 -1.83 0.00 -0.24 -2.79 0.00 0.00 177.10 172.24 3dec n SER 532 N 9.50 0.00 -2.24 -4.21 2.88 -1.26 -4.69 113.62 113.59 3dec n SER 532 Ca 0.07 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.44 3dec n SER 532 Cb 0.49 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.97 3dec n SER 532 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dec s GLY 534 N -2.59 2.38 -0.05 0.00 0.00 -0.52 -4.80 107.32 101.74 3dec s GLY 534 Ca 0.16 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 3dec s GLY 534 CO 0.19 1.02 0.05 0.61 0.00 0.00 0.00 173.10 174.97 3dec n GLY 535 N -0.23 -1.75 3.23 0.20 0.00 -0.03 -4.40 105.19 102.21 3dec n GLY 535 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3dec n GLY 535 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dec n LYS 537 N -0.23 0.00 -0.08 1.61 4.81 -1.26 -3.13 118.16 119.87 3dec n LYS 537 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.34 3dec n LYS 537 Cb 0.03 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.11 3dec n LYS 537 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3dec h GLU 538 N 0.00 0.82 -0.55 1.64 3.07 -1.96 0.20 114.58 117.79 3dec h GLU 538 Ca 0.00 -0.43 0.04 0.00 -0.50 0.00 0.00 59.36 58.47 3dec h GLU 538 Cb 0.00 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 3dec h GLU 538 CO 0.00 1.06 0.31 1.88 -1.40 0.00 0.00 179.01 180.86 3dec h TYR 539 N 0.67 0.57 0.00 4.33 -1.99 -1.97 -2.95 116.97 115.63 3dec h TYR 539 Ca 0.06 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.66 3dec h TYR 539 Cb 0.95 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 3dec h TYR 539 CO 0.05 0.30 -0.69 -1.49 -0.00 0.00 0.00 178.16 176.33 3dec h TRP 540 N 0.59 0.00 -0.72 4.88 4.06 -1.70 -1.60 115.95 121.46 3dec h TRP 540 Ca 0.24 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.32 3dec h TRP 540 Cb 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 3dec h TRP 540 CO -0.08 0.69 0.48 0.93 -3.56 0.00 0.00 178.44 176.90 3dec h GLU 541 N 0.00 0.42 -0.01 0.49 5.08 -0.87 0.98 114.58 120.67 3dec h GLU 541 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3dec h GLU 541 Cb 1.33 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dec h GLU 541 CO 0.09 0.28 -0.14 0.28 -1.00 0.00 0.00 179.01 178.52 3dec h VAL 542 N 0.43 1.56 -0.55 3.13 2.07 -1.18 -3.15 116.25 118.57 3dec h VAL 542 Ca 0.34 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 3dec h VAL 542 Cb 0.74 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 3dec h VAL 542 CO -0.11 0.49 0.08 -0.26 0.02 0.00 0.00 177.57 177.79 3dec h PHE 543 N -0.58 0.97 0.00 1.57 0.05 -1.09 0.25 116.94 118.10 3dec h PHE 543 Ca -0.02 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.64 3dec h PHE 543 Cb 0.88 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 38.56 3dec h PHE 543 CO 0.18 0.86 0.00 0.39 -0.18 0.00 0.00 178.31 179.56 3dec n GLU 544 N -4.35 0.14 0.00 1.51 1.02 0.32 -3.19 120.64 116.10 3dec n GLU 544 Ca 0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3dec n GLU 544 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3dec n GLU 544 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dec n ASN 545 N -1.37 0.62 -4.47 1.62 3.02 -0.92 -4.99 115.26 108.76 3dec n ASN 545 Ca 0.06 -0.33 -0.39 0.00 -0.03 0.00 0.00 54.58 53.89 3dec n ASN 545 Cb 0.15 0.79 -0.11 0.00 -0.61 0.00 0.00 39.78 40.00 3dec n ASN 545 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3dec s GLU 546 N -0.91 3.41 0.00 3.52 0.41 0.83 -5.07 118.70 120.89 3dec s GLU 546 Ca 0.00 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 3dec s GLU 546 Cb 0.00 -3.64 0.00 0.00 -1.78 0.00 0.00 34.13 28.71 3dec s GLU 546 CO 0.00 -0.41 0.10 -2.30 -0.49 0.00 0.00 175.26 172.16 3dec n PRO 547 N 5.02 0.11 0.00 0.39 -0.02 -1.26 -4.61 135.00 134.63 3dec n PRO 547 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3dec n PRO 547 Cb 0.49 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 3dec n PRO 547 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dec n ALA 549 N 0.90 0.00 -0.76 3.55 0.00 -1.26 -4.88 120.51 118.05 3dec n ALA 549 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3dec n ALA 549 Cb 0.05 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.86 3dec n ALA 549 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dec n GLN 550 N 0.00 4.42 0.00 0.00 6.02 -0.67 -4.28 117.38 122.87 3dec n GLN 550 Ca 0.00 -2.89 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 3dec n GLN 550 Cb 0.00 -2.20 0.00 0.00 1.02 0.00 0.00 30.24 29.06 3dec n GLN 550 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dec n GLY 551 N 0.45 -0.11 0.00 1.08 0.00 -1.26 0.21 105.19 105.57 3dec n GLY 551 Ca 0.28 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3dec n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dec n GLY 552 N 0.00 -0.90 3.13 -0.02 0.00 -0.59 -0.16 105.19 106.65 3dec n GLY 552 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 3dec n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dec s ILE 554 N 0.99 2.72 -0.38 0.00 1.01 0.29 -1.59 121.20 124.24 3dec s ILE 554 Ca -0.03 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 3dec s ILE 554 Cb -0.15 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 38.91 3dec s ILE 554 CO -0.05 0.15 0.22 0.86 0.00 0.00 0.00 174.94 176.12 3dec s TRP 555 N -0.85 3.24 0.00 3.97 -0.11 -0.79 -0.41 118.94 123.99 3dec s TRP 555 Ca 0.51 -0.92 0.00 0.00 1.22 0.00 0.00 56.10 56.91 3dec s TRP 555 Cb -0.40 -2.45 0.00 0.00 -1.50 0.00 0.00 33.47 29.12 3dec s TRP 555 CO 0.51 -0.64 0.00 -0.40 -4.62 0.00 0.00 176.95 171.80 3dec n ASP 556 N 5.01 0.00 -0.06 5.86 5.75 0.97 0.60 116.55 134.69 3dec n ASP 556 Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.60 3dec n ASP 556 Cb 0.46 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 3dec n ASP 556 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3dec h TRP 557 N 0.00 0.00 -3.75 2.11 2.91 -1.03 -1.05 115.95 115.13 3dec h TRP 557 Ca 0.00 0.00 -0.54 0.00 1.13 0.00 0.00 58.89 59.48 3dec h TRP 557 Cb 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 29.16 28.33 3dec h TRP 557 CO 0.00 0.39 -0.83 0.54 -1.03 0.00 0.00 178.44 177.51 3dec s VAL 558 N -1.88 1.31 0.40 2.65 0.11 -1.26 -0.52 120.40 121.21 3dec s VAL 558 Ca -0.09 -0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 58.07 3dec s VAL 558 Cb -0.00 -1.14 -0.10 0.00 -1.53 0.00 0.00 36.38 33.60 3dec s VAL 558 CO 0.26 0.38 1.35 0.47 -3.33 0.00 0.00 175.10 174.24 3dec n ASP 559 N 3.33 3.01 -4.25 3.54 8.00 -0.62 -4.49 116.55 125.07 3dec n ASP 559 Ca -0.19 1.15 -0.44 0.00 0.71 0.00 0.00 54.79 56.02 3dec n ASP 559 Cb 0.53 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 40.08 3dec n ASP 559 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dec n GLN 560 N 0.16 3.67 -4.32 -1.24 6.02 -1.15 -4.12 117.38 116.40 3dec n GLN 560 Ca 0.05 -4.48 -0.17 0.00 -0.01 0.00 0.00 57.00 52.38 3dec n GLN 560 Cb 0.39 -2.53 -0.10 0.00 1.02 0.00 0.00 30.24 29.02 3dec n GLN 560 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dec s SER 561 N 0.53 1.95 -0.05 1.08 0.15 -1.26 -4.65 113.70 111.45 3dec s SER 561 Ca 0.31 -1.16 0.06 0.00 0.70 0.00 0.00 55.95 55.85 3dec s SER 561 Cb -0.07 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3dec s SER 561 CO -0.04 -0.44 -0.24 -0.36 1.20 0.00 0.00 173.24 173.35 3dec s PHE 562 N -3.34 2.33 -0.11 3.44 0.08 -1.25 -4.85 117.98 114.29 3dec s PHE 562 Ca 0.26 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.41 3dec s PHE 562 Cb 0.05 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3dec s PHE 562 CO 0.07 -0.20 0.66 0.50 -0.10 0.00 0.00 175.22 176.15 3dec s ARG 563 N -0.16 4.37 0.46 0.44 3.52 -1.26 -0.93 118.95 125.39 3dec s ARG 563 Ca -0.03 0.77 0.03 0.00 -0.13 0.00 0.00 55.73 56.37 3dec s ARG 563 Cb -0.13 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3dec s ARG 563 CO 0.03 0.00 0.03 -1.21 -0.81 0.00 0.00 175.30 173.34 3dec s GLU 564 N 1.05 2.05 -0.05 5.12 0.41 -0.50 -4.96 118.70 121.83 3dec s GLU 564 Ca 0.34 -2.26 0.01 0.00 -0.41 0.00 0.00 54.97 52.65 3dec s GLU 564 Cb -0.17 -1.34 0.02 0.00 -1.78 0.00 0.00 34.13 30.86 3dec s GLU 564 CO 0.15 -0.30 -0.05 0.08 -0.49 0.00 0.00 175.26 174.65 3dec s VAL 565 N -2.93 0.59 0.67 2.63 1.01 -1.26 -1.82 120.40 119.29 3dec s VAL 565 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 3dec s VAL 565 Cb 0.04 -0.62 0.15 0.00 0.00 0.00 0.00 36.38 35.95 3dec s VAL 565 CO 0.09 0.24 0.92 -0.90 0.00 0.00 0.00 175.10 175.45 3dec n ASP 566 N 4.15 0.39 0.00 3.32 5.68 -0.15 -4.89 116.55 125.05 3dec n ASP 566 Ca -0.23 -1.53 0.05 0.00 -0.50 0.00 0.00 54.79 52.59 3dec n ASP 566 Cb 0.51 -0.67 0.24 0.00 -1.14 0.00 0.00 41.12 40.06 3dec n ASP 566 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3dec n LYS 567 N -2.87 0.06 -0.18 0.11 2.85 -1.26 -1.93 118.16 114.94 3dec n LYS 567 Ca 0.12 0.26 0.05 0.00 -1.05 0.00 0.00 58.31 57.70 3dec n LYS 567 Cb 0.44 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.47 3dec n LYS 567 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dec n ASP 568 N -1.41 2.92 0.00 -5.58 8.00 -1.26 -4.96 116.55 114.26 3dec n ASP 568 Ca 0.04 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.47 3dec n ASP 568 Cb 0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3dec n ASP 568 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dec n GLY 569 N 0.38 0.64 3.61 0.44 0.00 -0.81 -5.02 105.19 104.43 3dec n GLY 569 Ca 0.11 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3dec n GLY 569 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dec s LYS 570 N -0.51 4.03 0.51 1.61 1.02 -1.26 -4.86 119.74 120.29 3dec s LYS 570 Ca 0.00 0.37 -0.09 0.00 0.02 0.00 0.00 55.97 56.27 3dec s LYS 570 Cb 0.00 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 3dec s LYS 570 CO 0.00 -0.43 0.88 1.67 -0.92 0.00 0.00 175.35 176.55 3dec s TRP 571 N 2.44 3.56 0.12 3.18 1.48 -1.26 -0.98 118.94 127.47 3dec s TRP 571 Ca 0.23 1.06 -0.25 0.00 -1.06 0.00 0.00 56.10 56.08 3dec s TRP 571 Cb -0.15 -2.50 0.08 0.00 -1.16 0.00 0.00 33.47 29.74 3dec s TRP 571 CO 0.10 -0.39 0.72 1.52 -4.06 0.00 0.00 176.95 174.84 3dec s TYR 572 N -2.81 -0.43 0.14 1.66 -0.85 -0.75 -4.16 117.35 110.15 3dec s TYR 572 Ca 0.51 0.22 -0.21 0.00 -0.52 0.00 0.00 57.07 57.08 3dec s TYR 572 Cb -0.10 0.57 -0.07 0.00 0.38 0.00 0.00 41.96 42.73 3dec s TYR 572 CO 0.44 -0.78 0.66 -1.58 -1.52 0.00 0.00 175.55 172.78 3dec s TRP 573 N -3.54 3.78 0.32 -3.49 0.23 -1.26 -1.41 118.94 113.57 3dec s TRP 573 Ca 0.04 1.39 0.08 0.00 -2.03 0.00 0.00 56.10 55.57 3dec s TRP 573 Cb -0.01 -2.59 -0.03 0.00 0.03 0.00 0.00 33.47 30.86 3dec s TRP 573 CO -0.09 0.50 0.23 0.95 0.96 0.00 0.00 176.95 179.49 3dec s THR 574 N -1.25 3.57 0.00 2.01 -4.23 -0.10 -4.78 115.64 110.86 3dec s THR 574 Ca 0.35 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3dec s THR 574 Cb -0.20 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3dec s THR 574 CO 0.22 -0.21 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 3dec n TYR 575 N -1.27 0.00 -1.66 3.99 0.18 -1.26 -3.80 117.16 113.33 3dec n TYR 575 Ca -0.03 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.32 3dec n TYR 575 Cb 0.60 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.55 3dec n TYR 575 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dec n GLY 576 N 0.00 0.31 1.96 -7.48 0.00 -0.50 -2.28 105.19 97.20 3dec n GLY 576 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3dec n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dec n GLY 577 N 0.92 1.11 0.09 -0.02 0.00 -1.26 -4.29 105.19 101.75 3dec n GLY 577 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3dec n GLY 577 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dec n ASP 578 N 0.00 0.77 -4.29 1.61 8.00 -0.97 -4.76 116.55 116.92 3dec n ASP 578 Ca 0.00 0.20 -0.29 0.00 0.71 0.00 0.00 54.79 55.41 3dec n ASP 578 Cb 0.00 0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 3dec n ASP 578 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dec s TYR 579 N -3.29 2.13 0.00 1.24 1.51 -1.26 -5.04 117.35 112.65 3dec s TYR 579 Ca 0.02 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3dec s TYR 579 Cb 0.11 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 3dec s TYR 579 CO 0.77 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 175.65 3dec n GLY 580 N 2.18 -1.17 1.58 0.71 0.00 -1.26 -4.83 105.19 102.40 3dec n GLY 580 Ca -0.16 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.53 3dec n GLY 580 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dec n PRO 581 N -0.19 -1.17 -0.08 1.61 -0.04 -1.26 -4.95 135.00 128.92 3dec n PRO 581 Ca 0.00 -0.82 -0.13 0.00 -0.04 0.00 0.00 63.50 62.51 3dec n PRO 581 Cb 0.00 -0.64 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 3dec n PRO 581 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3dec h LYS 582 N 0.00 0.51 -0.83 0.54 3.64 -1.96 -3.01 116.57 115.46 3dec h LYS 582 Ca -0.18 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 58.77 3dec h LYS 582 Cb 0.52 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 3dec h LYS 582 CO 0.12 0.81 0.24 -0.25 -2.27 0.00 0.00 179.45 178.10 3dec n ASP 583 N -4.46 4.16 -4.66 4.20 8.00 -1.26 -4.97 116.55 117.56 3dec n ASP 583 Ca -0.05 -2.96 -0.46 0.00 0.71 0.00 0.00 54.79 52.04 3dec n ASP 583 Cb 0.38 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 3dec n ASP 583 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3dec n VAL 584 N -0.10 0.85 -1.29 2.53 3.14 -1.14 -4.88 118.33 117.45 3dec n VAL 584 Ca 0.33 -0.21 -0.41 0.00 -2.96 0.00 0.00 64.34 61.09 3dec n VAL 584 Cb 1.18 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 3dec n VAL 584 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3dec n PRO 585 N 2.11 0.02 -3.65 1.45 -0.02 -1.26 -4.77 135.00 128.88 3dec n PRO 585 Ca 0.13 0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3dec n PRO 585 Cb 0.30 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.69 3dec n PRO 585 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dec s SER 586 N -1.00 -0.28 -0.41 2.55 0.15 -1.25 -4.38 113.70 109.08 3dec s SER 586 Ca 0.59 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.73 3dec s SER 586 Cb -0.59 1.10 0.46 0.00 -1.71 0.00 0.00 66.02 65.29 3dec s SER 586 CO 0.64 -0.07 1.49 0.33 1.20 0.00 0.00 173.24 176.82 3dec n PHE 587 N 3.36 2.76 -2.96 3.44 7.35 -0.60 -4.93 117.46 125.88 3dec n PHE 587 Ca -0.18 -2.43 0.00 0.00 -0.76 0.00 0.00 57.45 54.08 3dec n PHE 587 Cb 0.57 -0.71 0.00 0.00 0.35 0.00 0.00 39.48 39.69 3dec n PHE 587 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dec n GLY 588 N -0.81 1.60 0.34 7.13 0.00 -1.26 -2.85 105.19 109.34 3dec n GLY 588 Ca 0.49 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3dec n GLY 588 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dec n ASN 589 N -1.86 0.75 0.00 1.61 6.94 -1.26 -1.41 115.26 120.03 3dec n ASN 589 Ca 0.00 -2.02 0.11 0.00 -0.02 0.00 0.00 54.58 52.64 3dec n ASN 589 Cb 0.00 -0.30 0.53 0.00 -2.36 0.00 0.00 39.78 37.66 3dec n ASN 589 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 3dec n PHE 590 N -0.16 0.00 0.89 -2.53 -0.00 -1.13 -1.60 117.46 112.93 3dec n PHE 590 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.60 3dec n PHE 590 Cb 0.17 -0.32 0.51 0.00 -0.00 0.00 0.00 39.48 39.85 3dec n PHE 590 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dec n ASN 593 N 5.33 1.25 -4.96 0.00 5.03 -1.26 -4.17 115.26 116.49 3dec n ASN 593 Ca -0.11 -2.44 -0.22 0.00 0.87 0.00 0.00 54.58 52.68 3dec n ASN 593 Cb 0.41 -0.36 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 3dec n ASN 593 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3dec s GLY 594 N -2.39 1.29 0.29 7.41 0.00 -1.20 -0.02 107.32 112.70 3dec s GLY 594 Ca 0.35 -1.09 0.26 0.00 0.00 0.00 0.00 44.72 44.23 3dec s GLY 594 CO -0.14 -1.06 1.74 1.41 0.00 0.00 0.00 173.10 175.05 3dec h LEU 595 N 0.95 0.00 -8.91 0.66 3.38 0.58 -3.45 115.31 108.52 3dec h LEU 595 Ca -0.51 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.00 3dec h LEU 595 Cb 1.23 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 3dec h LEU 595 CO 0.61 0.00 -0.74 0.68 0.09 0.00 0.00 178.44 179.08 3dec s VAL 596 N -3.19 1.80 1.08 1.22 -7.23 -0.17 -1.55 120.40 112.35 3dec s VAL 596 Ca 0.08 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 57.88 3dec s VAL 596 Cb 0.10 -2.04 0.24 0.00 0.56 0.00 0.00 36.38 35.23 3dec s VAL 596 CO 0.58 -0.56 1.20 0.54 -0.31 0.00 0.00 175.10 176.56 3dec s ASN 597 N -3.27 2.06 0.59 4.85 2.20 0.14 -1.58 114.94 119.92 3dec s ASN 597 Ca 0.22 0.52 0.35 0.00 -0.94 0.00 0.00 52.86 53.02 3dec s ASN 597 Cb -0.02 -0.72 1.80 0.00 -2.00 0.00 0.00 41.25 40.32 3dec s ASN 597 CO 0.07 -3.41 2.17 0.00 -2.94 0.00 0.00 177.10 173.00 3dec h ALA 598 N -2.10 1.13 -0.70 3.54 0.00 -1.88 -0.52 119.26 118.73 3dec h ALA 598 Ca -0.45 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.03 3dec h ALA 598 Cb 1.27 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.83 3dec h ALA 598 CO 0.39 0.05 0.27 1.33 0.00 0.00 0.00 179.25 181.29 3dec n VAL 599 N -3.32 2.93 -2.17 0.00 0.24 -1.26 -4.91 118.33 109.82 3dec n VAL 599 Ca -0.02 -2.52 -0.19 0.00 -2.04 0.00 0.00 64.34 59.57 3dec n VAL 599 Cb 0.19 -0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 32.02 3dec n VAL 599 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3dec n ARG 600 N -1.10 -1.50 -3.17 7.34 3.00 -0.20 -4.99 116.66 116.03 3dec n ARG 600 Ca 0.48 1.00 -0.39 0.00 -0.01 0.00 0.00 57.85 58.93 3dec n ARG 600 Cb 1.26 -5.52 -0.05 0.00 0.00 0.00 0.00 32.46 28.15 3dec n ARG 600 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3dec s GLU 601 N -4.65 4.39 0.39 5.56 2.02 -1.26 -4.83 118.70 120.32 3dec s GLU 601 Ca 0.00 0.68 -0.26 0.00 0.02 0.00 0.00 54.97 55.41 3dec s GLU 601 Cb 0.00 -3.43 -0.09 0.00 0.10 0.00 0.00 34.13 30.71 3dec s GLU 601 CO 0.00 0.13 1.22 -1.25 0.02 0.00 0.00 175.26 175.38 3dec s PRO 602 N 0.64 4.07 0.46 0.39 0.04 -1.26 0.27 135.00 139.61 3dec s PRO 602 Ca 0.32 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 3dec s PRO 602 Cb -0.17 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 3dec s PRO 602 CO 0.15 -0.34 0.83 -1.01 0.04 0.00 0.00 177.00 176.66 3dec s HIS 603 N -1.33 3.50 0.20 0.56 3.76 -0.60 -4.80 115.29 116.59 3dec s HIS 603 Ca 0.56 1.09 -0.20 0.00 -0.15 0.00 0.00 55.06 56.36 3dec s HIS 603 Cb -0.34 -2.50 0.16 0.00 1.11 0.00 0.00 32.58 31.01 3dec s HIS 603 CO 0.43 -0.23 1.57 -1.35 -0.85 0.00 0.00 174.74 174.31 3dec h PRO 604 N 0.87 -0.10 0.00 8.40 0.11 -1.91 -0.14 132.00 139.22 3dec h PRO 604 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dec h PRO 604 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dec h PRO 604 CO 0.63 -0.07 0.27 1.12 -0.21 0.00 0.00 178.00 179.74 3dec h HIS 605 N -0.11 0.00 -0.11 0.65 2.07 -1.86 0.41 115.15 116.20 3dec h HIS 605 Ca 0.27 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.66 3dec h HIS 605 Cb 0.57 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 3dec h HIS 605 CO -0.72 0.00 -0.49 1.25 -3.07 0.00 0.00 177.93 174.90 3dec h LEU 606 N 0.00 0.30 -1.40 6.12 5.85 -1.25 -2.64 115.31 122.30 3dec h LEU 606 Ca 0.00 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3dec h LEU 606 Cb 0.54 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3dec h LEU 606 CO 0.00 0.74 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.48 3dec h LEU 607 N 0.22 0.00 -0.63 2.25 3.38 -0.28 -1.68 115.31 118.57 3dec h LEU 607 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3dec h LEU 607 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3dec h LEU 607 CO 0.08 0.29 0.09 -0.08 0.09 0.00 0.00 178.44 178.92 3dec h GLU 608 N 0.00 1.06 -0.66 1.13 4.57 -1.54 -2.42 114.58 116.72 3dec h GLU 608 Ca -0.00 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.81 3dec h GLU 608 Cb 0.58 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3dec h GLU 608 CO 0.04 0.98 0.10 0.28 -1.18 0.00 0.00 179.01 179.24 3dec h VAL 609 N 0.97 1.26 -0.98 0.32 2.07 -1.06 -1.21 116.25 117.62 3dec h VAL 609 Ca 0.19 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3dec h VAL 609 Cb 0.45 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3dec h VAL 609 CO 0.01 0.39 0.65 0.50 0.02 0.00 0.00 177.57 179.14 3dec h LYS 610 N 1.01 1.23 0.06 1.57 3.64 -1.27 0.33 116.57 123.14 3dec h LYS 610 Ca 0.20 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3dec h LYS 610 Cb 0.44 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3dec h LYS 610 CO 0.01 0.82 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.76 3dec h LYS 611 N 1.27 -0.07 0.00 1.90 1.63 -0.86 -2.05 116.57 118.39 3dec h LYS 611 Ca 0.38 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.09 3dec h LYS 611 Cb -0.04 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3dec h LYS 611 CO -0.11 0.29 -0.44 0.82 -3.45 0.00 0.00 179.45 176.56 3dec h ILE 612 N -0.45 1.05 -0.00 2.00 1.08 -1.19 -2.90 117.51 117.10 3dec h ILE 612 Ca -0.01 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 3dec h ILE 612 Cb 0.40 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3dec h ILE 612 CO 0.01 0.43 -0.26 -1.22 -0.69 0.00 0.00 178.15 176.43 3dec n TYR 613 N -3.63 0.00 -0.74 1.37 4.02 0.10 -4.94 117.16 113.34 3dec n TYR 613 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 3dec n TYR 613 Cb 0.53 -0.24 0.14 0.00 -0.02 0.00 0.00 39.34 39.75 3dec n TYR 613 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dec n GLN 614 N -1.16 -0.38 0.00 -0.72 10.64 -0.77 -4.86 117.38 120.13 3dec n GLN 614 Ca 0.10 -0.06 0.06 0.00 -1.83 0.00 0.00 57.00 55.27 3dec n GLN 614 Cb 0.32 -2.08 0.03 0.00 -0.86 0.00 0.00 30.24 27.66 3dec n GLN 614 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3dec n ASN 615 N -2.58 1.78 -3.84 2.61 3.02 -1.26 -4.76 115.26 110.23 3dec n ASN 615 Ca 0.09 -1.39 -0.30 0.00 -0.03 0.00 0.00 54.58 52.95 3dec n ASN 615 Cb 0.53 0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.69 3dec n ASN 615 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dec s ILE 616 N -1.12 1.54 -0.04 2.41 1.01 -1.26 0.64 121.20 124.38 3dec s ILE 616 Ca 0.12 -1.99 0.01 0.00 0.00 0.00 0.00 60.65 58.79 3dec s ILE 616 Cb 0.10 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3dec s ILE 616 CO 0.19 -0.68 -0.02 -0.54 0.00 0.00 0.00 174.94 173.88 3dec s LYS 617 N 1.10 2.79 0.04 2.79 1.02 -0.96 -4.65 119.74 121.86 3dec s LYS 617 Ca 0.12 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.56 3dec s LYS 617 Cb -0.19 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3dec s LYS 617 CO -0.14 0.65 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.75 3dec s SER 618 N -1.20 0.71 0.08 2.83 0.01 -1.26 -0.55 113.70 114.30 3dec s SER 618 Ca 0.16 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.90 3dec s SER 618 Cb -0.11 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 3dec s SER 618 CO 0.06 -0.25 -0.16 0.42 0.41 0.00 0.00 173.24 173.71 3dec s THR 619 N -1.59 1.29 -0.24 1.44 -4.23 -0.78 -5.00 115.64 106.53 3dec s THR 619 Ca -0.10 -1.33 -0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3dec s THR 619 Cb -0.09 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.55 3dec s THR 619 CO -0.01 -0.14 1.01 -0.22 -0.54 0.00 0.00 174.62 174.73 3dec s LEU 620 N -1.70 4.09 -0.11 4.79 2.96 -1.26 -1.30 118.68 126.14 3dec s LEU 620 Ca 0.01 1.31 0.13 0.00 -0.22 0.00 0.00 54.13 55.36 3dec s LEU 620 Cb -0.10 -3.49 -0.19 0.00 0.50 0.00 0.00 46.19 42.92 3dec s LEU 620 CO 0.03 -0.66 0.12 -0.38 -1.32 0.00 0.00 176.35 174.13 3dec n ILE 621 N 5.34 0.73 -3.51 6.68 5.41 0.90 -4.89 119.36 130.03 3dec n ILE 621 Ca 0.11 -0.54 -0.22 0.00 1.00 0.00 0.00 62.75 63.10 3dec n ILE 621 Cb 0.46 -0.44 -0.14 0.00 -0.71 0.00 0.00 39.64 38.81 3dec n ILE 621 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3dec s ASP 622 N -4.49 2.11 0.44 4.38 3.68 -0.94 -4.97 116.67 116.89 3dec s ASP 622 Ca -0.07 -0.63 0.11 0.00 2.13 0.00 0.00 52.55 54.09 3dec s ASP 622 Cb 0.05 0.10 0.98 0.00 -1.45 0.00 0.00 42.92 42.60 3dec s ASP 622 CO 0.59 -0.37 2.05 0.11 0.13 0.00 0.00 175.17 177.68 3dec h LYS 623 N 8.35 0.27 0.07 4.34 1.57 -1.90 0.31 116.57 129.58 3dec h LYS 623 Ca -0.17 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3dec h LYS 623 Cb 1.11 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.38 3dec h LYS 623 CO 0.33 0.24 -0.59 1.57 -0.57 0.00 0.00 179.45 180.43 3dec h LYS 624 N 0.28 0.28 0.00 3.15 2.10 -1.97 -3.26 116.57 117.14 3dec h LYS 624 Ca 0.07 -0.39 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3dec h LYS 624 Cb 0.08 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3dec h LYS 624 CO -0.01 1.13 -0.24 0.09 -2.00 0.00 0.00 179.45 178.42 3dec n ASN 625 N -4.26 0.42 -3.23 7.07 3.02 -1.21 -3.81 115.26 113.25 3dec n ASN 625 Ca -0.12 0.25 -0.11 0.00 -0.03 0.00 0.00 54.58 54.57 3dec n ASN 625 Cb 0.70 -0.24 0.04 0.00 -0.61 0.00 0.00 39.78 39.67 3dec n ASN 625 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dec n LEU 626 N -1.76 -5.77 -4.56 3.41 4.77 0.00 0.82 117.00 113.91 3dec n LEU 626 Ca 0.06 -0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 55.18 3dec n LEU 626 Cb 0.37 -3.15 -0.11 0.00 -2.33 0.00 0.00 43.42 38.21 3dec n LEU 626 CO 0.31 -0.33 -0.26 -0.89 -1.33 0.00 0.00 177.39 174.90 3dec s THR 627 N -3.24 4.64 -0.06 -5.08 2.01 -0.63 0.56 115.64 113.84 3dec s THR 627 Ca 0.28 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3dec s THR 627 Cb -0.04 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 3dec s THR 627 CO 0.76 0.40 -0.12 0.68 -0.69 0.00 0.00 174.62 175.65 3dec s VAL 628 N 0.88 3.24 -0.15 3.82 -7.23 0.86 -0.07 120.40 121.75 3dec s VAL 628 Ca 0.04 -0.65 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 3dec s VAL 628 Cb -0.14 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3dec s VAL 628 CO 0.03 0.59 0.59 -0.60 -0.31 0.00 0.00 175.10 175.39 3dec s ARG 629 N -0.65 4.29 -0.20 4.82 3.52 -0.42 -1.65 118.95 128.66 3dec s ARG 629 Ca 0.10 0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 56.28 3dec s ARG 629 Cb -0.11 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3dec s ARG 629 CO 0.01 -0.05 -0.10 0.08 -0.81 0.00 0.00 175.30 174.43 3dec s VAL 630 N 1.28 2.91 -0.20 7.11 1.01 0.13 -1.87 120.40 130.78 3dec s VAL 630 Ca 0.29 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3dec s VAL 630 Cb -0.16 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3dec s VAL 630 CO 0.12 0.47 0.11 -0.75 0.00 0.00 0.00 175.10 175.05 3dec s LYS 631 N 1.36 4.11 -0.59 2.72 2.47 0.28 -0.48 119.74 129.61 3dec s LYS 631 Ca 0.05 -0.26 -0.16 0.00 -1.56 0.00 0.00 55.97 54.03 3dec s LYS 631 Cb -0.14 -3.37 0.14 0.00 -1.46 0.00 0.00 37.83 33.00 3dec s LYS 631 CO -0.06 0.27 0.56 1.21 0.16 0.00 0.00 175.35 177.49 3dec s ASN 632 N 0.43 6.27 0.00 1.43 2.47 -0.93 -2.27 114.94 122.33 3dec s ASN 632 Ca 0.06 -1.87 0.26 0.00 0.42 0.00 0.00 52.86 51.73 3dec s ASN 632 Cb -0.12 -2.22 1.33 0.00 -1.45 0.00 0.00 41.25 38.79 3dec s ASN 632 CO -0.01 -0.85 1.88 0.79 -3.72 0.00 0.00 177.10 175.20 3dec n TRP 633 N 5.21 0.03 -1.78 0.43 7.02 0.21 0.17 117.44 128.73 3dec n TRP 633 Ca -0.10 -0.02 -0.35 0.00 -1.02 0.00 0.00 57.50 56.02 3dec n TRP 633 Cb 0.41 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.36 3dec n TRP 633 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3dec s PHE 634 N -1.97 2.34 -0.13 -5.99 0.08 -1.22 -4.82 117.98 106.28 3dec s PHE 634 Ca 0.39 1.55 0.20 0.00 0.12 0.00 0.00 56.93 59.19 3dec s PHE 634 Cb 0.19 -3.40 -0.20 0.00 -0.57 0.00 0.00 43.02 39.05 3dec s PHE 634 CO 0.31 -2.19 0.63 -0.25 -0.10 0.00 0.00 175.22 173.63 3dec n ASP 635 N -2.14 0.40 -0.42 1.36 8.00 -1.26 -3.53 116.55 118.95 3dec n ASP 635 Ca 0.13 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3dec n ASP 635 Cb 0.50 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 3dec n ASP 635 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dec n PHE 636 N -2.58 0.00 -4.91 1.24 3.72 -1.26 -4.87 117.46 108.80 3dec n PHE 636 Ca -0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.05 3dec n PHE 636 Cb 0.71 0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 39.12 3dec n PHE 636 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3dec s SER 637 N -0.63 2.29 0.37 4.37 0.01 -1.26 -4.95 113.70 113.91 3dec s SER 637 Ca 0.00 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 3dec s SER 637 Cb 0.00 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.58 3dec s SER 637 CO 0.00 0.18 0.79 -0.62 0.41 0.00 0.00 173.24 174.00 3dec s ASP 638 N -0.08 6.70 0.17 2.44 -1.08 -1.26 -3.72 116.67 119.85 3dec s ASP 638 Ca -0.02 1.30 0.18 0.00 -0.52 0.00 0.00 52.55 53.49 3dec s ASP 638 Cb -0.11 -2.38 0.80 0.00 -1.46 0.00 0.00 42.92 39.77 3dec s ASP 638 CO 0.02 -0.31 1.55 0.18 0.52 0.00 0.00 175.17 177.12 3dec n LEU 639 N -0.79 0.40 0.00 -1.34 4.77 0.53 -1.99 117.00 118.58 3dec n LEU 639 Ca 0.04 0.62 0.03 0.00 -0.03 0.00 0.00 56.01 56.67 3dec n LEU 639 Cb 0.54 -0.60 0.17 0.00 -2.33 0.00 0.00 43.42 41.20 3dec n LEU 639 CO 0.43 -0.56 0.37 -0.46 -1.33 0.00 0.00 177.39 175.85 3dec n ASN 640 N -1.96 0.00 -0.11 -1.43 0.23 -0.97 -0.67 115.26 110.34 3dec n ASN 640 Ca 0.01 -0.28 0.13 0.00 -0.53 0.00 0.00 54.58 53.91 3dec n ASN 640 Cb 0.15 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.18 3dec n ASN 640 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3dec n GLU 641 N -0.89 0.38 -4.65 -3.83 1.02 -0.84 -4.98 120.64 106.85 3dec n GLU 641 Ca 0.04 -0.21 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 3dec n GLU 641 Cb 0.02 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 3dec n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3dec s TYR 642 N -2.77 1.75 -0.04 -0.32 2.02 0.15 -1.41 117.35 116.73 3dec s TYR 642 Ca 0.17 -0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 55.89 3dec s TYR 642 Cb 0.18 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3dec s TYR 642 CO 0.61 0.10 0.05 0.42 -1.57 0.00 0.00 175.55 175.16 3dec s ILE 643 N -2.88 -0.06 0.08 2.71 -1.09 0.64 -4.75 121.20 115.85 3dec s ILE 643 Ca 0.07 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 3dec s ILE 643 Cb 0.00 -0.17 -0.05 0.00 -1.58 0.00 0.00 42.46 40.66 3dec s ILE 643 CO 0.04 0.17 0.93 -0.22 -1.23 0.00 0.00 174.94 174.63 3dec s LEU 644 N 1.96 4.47 -0.13 2.97 2.96 -0.54 -1.80 118.68 128.58 3dec s LEU 644 Ca 0.02 1.72 -0.00 0.00 -0.22 0.00 0.00 54.13 55.65 3dec s LEU 644 Cb -0.12 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3dec s LEU 644 CO -0.03 -0.09 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.80 3dec s HIS 645 N 0.16 2.84 0.20 5.38 3.76 0.15 -0.29 115.29 127.49 3dec s HIS 645 Ca 0.46 -0.56 0.07 0.00 -0.15 0.00 0.00 55.06 54.89 3dec s HIS 645 Cb -0.22 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 3dec s HIS 645 CO 0.28 -0.16 -0.14 1.67 -0.85 0.00 0.00 174.74 175.54 3dec s TRP 646 N 0.29 1.67 -0.24 1.40 1.48 -0.07 -0.02 118.94 123.45 3dec s TRP 646 Ca -0.09 -0.59 -0.26 0.00 -1.06 0.00 0.00 56.10 54.10 3dec s TRP 646 Cb -0.15 -0.78 0.12 0.00 -1.16 0.00 0.00 33.47 31.50 3dec s TRP 646 CO 0.05 0.33 1.01 -1.59 -4.06 0.00 0.00 176.95 172.69 3dec s LYS 647 N -3.65 0.55 -0.11 3.25 -2.85 0.07 -1.95 119.74 115.05 3dec s LYS 647 Ca 0.22 0.48 -0.04 0.00 -1.00 0.00 0.00 55.97 55.62 3dec s LYS 647 Cb -0.00 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 3dec s LYS 647 CO 0.06 -0.10 0.05 0.08 0.10 0.00 0.00 175.35 175.55 3dec s VAL 648 N -0.15 4.75 -0.05 1.79 1.01 0.24 -0.12 120.40 127.87 3dec s VAL 648 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3dec s VAL 648 Cb -0.04 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3dec s VAL 648 CO -0.04 0.59 0.15 -0.89 0.00 0.00 0.00 175.10 174.91 3dec s THR 649 N -0.71 0.02 0.29 3.92 2.01 -0.05 -0.97 115.64 120.15 3dec s THR 649 Ca 0.12 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3dec s THR 649 Cb -0.12 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3dec s THR 649 CO 0.02 -0.08 0.49 -0.83 -0.69 0.00 0.00 174.62 173.54 3dec s GLY 650 N -0.20 1.56 0.02 4.40 0.00 -1.10 0.11 107.32 112.10 3dec s GLY 650 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3dec s GLY 650 CO 0.00 -0.78 0.85 2.09 0.00 0.00 0.00 173.10 175.26 3dec n ASP 651 N -1.28 0.02 0.02 1.64 5.75 0.09 0.12 116.55 122.90 3dec n ASP 651 Ca -0.04 0.34 0.12 0.00 -0.01 0.00 0.00 54.79 55.19 3dec n ASP 651 Cb 0.55 -0.33 0.18 0.00 -1.03 0.00 0.00 41.12 40.48 3dec n ASP 651 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3dec n ASP 652 N -1.36 0.59 -0.46 -1.12 3.85 -1.26 -4.77 116.55 112.02 3dec n ASP 652 Ca -0.00 -0.17 0.00 0.00 -0.71 0.00 0.00 54.79 53.91 3dec n ASP 652 Cb 0.18 0.35 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3dec n ASP 652 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dec n GLY 653 N 1.44 0.82 3.00 6.12 0.00 0.32 -5.07 105.19 111.80 3dec n GLY 653 Ca 0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3dec n GLY 653 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dec s THR 654 N -2.61 1.59 0.08 2.61 2.01 -1.24 -4.95 115.64 113.13 3dec s THR 654 Ca 0.00 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 3dec s THR 654 Cb 0.00 -1.62 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 3dec s THR 654 CO 0.00 0.25 1.50 -0.69 -0.69 0.00 0.00 174.62 174.99 3dec s VAL 655 N 1.44 3.24 -0.24 3.82 1.01 -1.26 -2.71 120.40 125.69 3dec s VAL 655 Ca 0.01 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3dec s VAL 655 Cb -0.15 -3.50 -0.16 0.00 0.00 0.00 0.00 36.38 32.57 3dec s VAL 655 CO -0.09 0.02 -0.19 0.18 0.00 0.00 0.00 175.10 175.02 3dec n LEU 656 N 4.83 2.77 -3.81 3.92 4.77 -0.15 -4.99 117.00 124.34 3dec n LEU 656 Ca 0.14 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 3dec n LEU 656 Cb 0.42 -0.75 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 3dec n LEU 656 CO 0.60 0.88 -0.17 0.00 -1.33 0.00 0.00 177.39 177.37 3dec s ALA 657 N -2.48 -0.43 0.01 -1.18 0.00 -1.20 -4.98 121.76 111.51 3dec s ALA 657 Ca -0.31 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 3dec s ALA 657 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3dec s ALA 657 CO 0.57 -0.09 0.21 -1.83 0.00 0.00 0.00 175.76 174.62 3dec s GLU 658 N 0.17 0.61 0.10 0.00 -1.05 -1.26 0.80 118.70 118.06 3dec s GLU 658 Ca -0.01 -0.41 -0.27 0.00 -0.15 0.00 0.00 54.97 54.14 3dec s GLU 658 Cb -0.02 0.26 0.08 0.00 -0.44 0.00 0.00 34.13 34.01 3dec s GLU 658 CO -0.00 -0.16 1.00 0.20 0.95 0.00 0.00 175.26 177.24 3dec s GLY 659 N -1.59 -0.30 0.18 -3.83 0.00 -0.82 -4.99 107.32 95.98 3dec s GLY 659 Ca -0.11 0.38 0.08 0.00 0.00 0.00 0.00 44.72 45.06 3dec s GLY 659 CO 0.01 0.08 -0.02 -1.31 0.00 0.00 0.00 173.10 171.86 3dec s ASN 660 N -2.85 4.65 0.00 1.64 0.02 -1.26 -0.89 114.94 116.24 3dec s ASN 660 Ca 0.11 -0.46 -0.11 0.00 -1.02 0.00 0.00 52.86 51.38 3dec s ASN 660 Cb -0.00 -0.94 0.01 0.00 0.02 0.00 0.00 41.25 40.34 3dec s ASN 660 CO -0.01 0.08 0.24 -0.75 0.02 0.00 0.00 177.10 176.68 3dec s LYS 661 N -2.99 0.62 -0.22 -0.60 2.47 0.61 -4.97 119.74 114.66 3dec s LYS 661 Ca 0.27 -0.34 -0.01 0.00 -1.56 0.00 0.00 55.97 54.33 3dec s LYS 661 Cb -0.09 0.27 0.06 0.00 -1.46 0.00 0.00 37.83 36.61 3dec s LYS 661 CO 0.18 -0.17 -0.00 -1.21 0.16 0.00 0.00 175.35 174.31 3dec s GLU 662 N -1.59 1.10 -0.06 4.03 2.02 -1.26 -1.46 118.70 121.48 3dec s GLU 662 Ca -0.12 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3dec s GLU 662 Cb -0.05 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 3dec s GLU 662 CO 0.02 -0.64 -0.05 0.08 0.02 0.00 0.00 175.26 174.69 3dec s VAL 663 N 1.63 3.87 -0.13 2.63 1.01 -1.26 -5.07 120.40 123.08 3dec s VAL 663 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3dec s VAL 663 Cb -0.18 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3dec s VAL 663 CO -0.08 0.56 0.26 0.00 0.00 0.00 0.00 175.10 175.84 3dec s ALA 664 N -0.87 3.69 -0.28 5.51 0.00 -1.26 -2.30 121.76 126.24 3dec s ALA 664 Ca 0.14 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 3dec s ALA 664 Cb -0.11 -2.27 0.11 0.00 0.00 0.00 0.00 23.12 20.85 3dec s ALA 664 CO 0.03 0.28 0.86 0.00 0.00 0.00 0.00 175.76 176.93 3dec s GLU 666 N 1.01 4.02 0.09 0.00 2.02 -1.26 -0.35 118.70 124.23 3dec s GLU 666 Ca -0.05 0.87 -0.36 0.00 0.02 0.00 0.00 54.97 55.46 3dec s GLU 666 Cb -0.05 -2.25 -0.18 0.00 0.10 0.00 0.00 34.13 31.76 3dec s GLU 666 CO -0.12 -0.07 1.11 -2.30 0.02 0.00 0.00 175.26 173.90 3dec n PRO 667 N -1.00 0.64 0.00 0.39 -0.02 -1.24 -1.16 135.00 132.60 3dec n PRO 667 Ca 0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3dec n PRO 667 Cb 0.54 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3dec n PRO 667 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3dec n HIS 668 N 1.62 0.00 -2.61 6.00 8.25 0.46 -4.97 115.22 123.97 3dec n HIS 668 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.37 3dec n HIS 668 Cb 0.17 -0.14 0.01 0.00 1.12 0.00 0.00 29.99 31.15 3dec n HIS 668 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dec s ALA 669 N -1.94 3.40 0.32 -1.41 0.00 -0.31 -4.79 121.76 117.03 3dec s ALA 669 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 51.47 3dec s ALA 669 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3dec s ALA 669 CO 0.00 -0.45 0.10 0.99 0.00 0.00 0.00 175.76 176.40 3dec s THR 670 N -2.78 3.15 -0.20 0.00 2.01 -1.26 -2.19 115.64 114.36 3dec s THR 670 Ca 0.49 -1.76 -0.20 0.00 0.31 0.00 0.00 61.69 60.52 3dec s THR 670 Cb -0.10 -2.95 0.06 0.00 0.01 0.00 0.00 72.50 69.52 3dec s THR 670 CO 0.44 -0.24 0.58 0.54 -0.69 0.00 0.00 174.62 175.25 3dec s VAL 671 N -2.40 0.00 0.14 3.82 0.11 0.36 -4.95 120.40 117.49 3dec s VAL 671 Ca 0.36 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 3dec s VAL 671 Cb -0.03 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 3dec s VAL 671 CO 0.22 -0.01 0.16 -1.61 -3.33 0.00 0.00 175.10 170.53 3dec s GLU 672 N 0.19 3.05 -0.21 1.54 2.02 -1.26 0.21 118.70 124.25 3dec s GLU 672 Ca -0.01 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 54.13 3dec s GLU 672 Cb -0.04 -2.75 0.08 0.00 0.10 0.00 0.00 34.13 31.52 3dec s GLU 672 CO 0.01 0.51 0.48 -1.17 0.02 0.00 0.00 175.26 175.11 3dec s LEU 673 N -2.98 -0.51 -0.23 1.80 2.96 -0.66 -4.96 118.68 114.10 3dec s LEU 673 Ca 0.32 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 55.21 3dec s LEU 673 Cb -0.11 1.59 -0.05 0.00 0.50 0.00 0.00 46.19 48.12 3dec s LEU 673 CO 0.25 -0.22 0.15 -0.89 -1.32 0.00 0.00 176.35 174.32 3dec s THR 674 N 1.99 5.34 -0.03 3.68 2.01 -1.26 -0.10 115.64 127.28 3dec s THR 674 Ca -0.07 0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.20 3dec s THR 674 Cb -0.09 -3.48 -0.23 0.00 0.01 0.00 0.00 72.50 68.70 3dec s THR 674 CO -0.14 0.37 0.73 -0.07 -0.69 0.00 0.00 174.62 174.81 3dec h LEU 675 N 7.31 0.05 0.00 4.42 3.38 0.07 -3.48 115.31 127.05 3dec h LEU 675 Ca -0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3dec h LEU 675 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dec h LEU 675 CO 0.68 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.91 3dec n GLY 676 N 1.57 3.13 3.74 0.83 0.00 0.24 -5.01 105.19 109.69 3dec n GLY 676 Ca -0.16 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 3dec n GLY 676 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dec s ALA 677 N -1.79 2.28 -0.03 4.61 0.00 -1.21 -4.16 121.76 121.46 3dec s ALA 677 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 3dec s ALA 677 Cb 0.00 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.75 3dec s ALA 677 CO 0.00 -1.59 0.05 0.08 0.00 0.00 0.00 175.76 174.30 3dec s VAL 678 N -2.14 -0.07 -0.44 0.00 1.01 -1.26 -5.03 120.40 112.46 3dec s VAL 678 Ca 0.71 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 3dec s VAL 678 Cb -0.25 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3dec s VAL 678 CO 0.43 0.10 1.11 -1.10 0.00 0.00 0.00 175.10 175.65 3dec s GLN 679 N 1.28 3.80 -0.02 2.72 -1.52 -1.26 -5.01 119.66 119.65 3dec s GLN 679 Ca -0.07 0.67 -0.27 0.00 -1.95 0.00 0.00 55.36 53.74 3dec s GLN 679 Cb -0.13 -3.87 -0.04 0.00 -0.22 0.00 0.00 33.01 28.76 3dec s GLN 679 CO -0.03 -1.26 0.85 -0.51 -0.25 0.00 0.00 175.29 174.09 3dec s LEU 680 N 4.23 4.36 1.27 2.90 1.43 -1.26 -5.05 118.68 126.57 3dec s LEU 680 Ca 0.47 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.87 3dec s LEU 680 Cb -0.08 -3.35 0.33 0.00 0.03 0.00 0.00 46.19 43.11 3dec s LEU 680 CO 0.28 -0.17 0.96 -2.65 0.23 0.00 0.00 176.35 175.00 3dec n PRO 681 N 3.68 -3.23 0.07 1.29 -0.02 -1.26 -4.93 135.00 130.59 3dec n PRO 681 Ca 0.02 -0.93 0.11 0.00 -2.02 0.00 0.00 63.50 60.69 3dec n PRO 681 Cb 0.51 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3dec n PRO 681 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3dec n LYS 682 N -5.22 0.53 0.26 -0.52 2.85 -1.26 -3.66 118.16 111.14 3dec n LYS 682 Ca 0.05 0.04 0.15 0.00 -1.05 0.00 0.00 58.31 57.50 3dec n LYS 682 Cb 0.56 -1.72 0.51 0.00 -0.65 0.00 0.00 35.03 33.73 3dec n LYS 682 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3dec h THR 683 N 0.00 0.02 -3.31 0.58 1.35 -1.95 -3.14 112.91 106.45 3dec h THR 683 Ca 0.00 -0.70 -0.56 0.00 -0.55 0.00 0.00 66.41 64.60 3dec h THR 683 Cb 0.93 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 68.99 3dec h THR 683 CO 0.00 0.01 0.02 0.27 -0.25 0.00 0.00 175.52 175.57 3dec s ILE 684 N -3.52 4.77 -0.06 6.82 -4.36 -1.24 -4.68 121.20 118.93 3dec s ILE 684 Ca 0.03 1.32 0.02 0.00 -0.26 0.00 0.00 60.65 61.76 3dec s ILE 684 Cb 0.08 -3.96 -0.25 0.00 1.25 0.00 0.00 42.46 39.58 3dec s ILE 684 CO 0.59 0.48 0.61 -0.09 0.24 0.00 0.00 174.94 176.76 3dec h ARG 685 N 5.07 0.15 -3.65 0.37 2.43 -1.80 -1.95 114.38 115.00 3dec h ARG 685 Ca -0.47 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.37 3dec h ARG 685 Cb 1.21 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.73 3dec h ARG 685 CO 0.67 0.90 -0.21 -1.83 -1.51 0.00 0.00 179.97 178.00 3dec s GLU 686 N -2.59 1.12 0.09 0.20 -1.05 -1.26 -2.66 118.70 112.54 3dec s GLU 686 Ca -0.12 -0.97 0.05 0.00 -0.15 0.00 0.00 54.97 53.78 3dec s GLU 686 Cb 0.07 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.15 3dec s GLU 686 CO 0.81 -0.42 -0.14 0.00 0.95 0.00 0.00 175.26 176.46 3dec s ALA 687 N -3.89 1.26 -0.06 -0.84 0.00 0.50 -0.73 121.76 118.00 3dec s ALA 687 Ca 0.10 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.01 3dec s ALA 687 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3dec s ALA 687 CO -0.05 0.12 -0.25 0.71 0.00 0.00 0.00 175.76 176.29 3dec s TYR 688 N -1.69 2.42 -0.35 0.00 2.02 0.12 0.14 117.35 120.01 3dec s TYR 688 Ca 0.02 -0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 55.89 3dec s TYR 688 Cb -0.07 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 3dec s TYR 688 CO 0.02 -0.22 0.22 -1.17 -1.57 0.00 0.00 175.55 172.83 3dec s LEU 689 N -0.16 4.51 -0.16 -1.29 2.96 -0.07 -0.87 118.68 123.61 3dec s LEU 689 Ca -0.04 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3dec s LEU 689 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3dec s LEU 689 CO 0.04 -0.28 0.11 -1.81 -1.32 0.00 0.00 176.35 173.09 3dec s ASP 690 N 1.66 6.07 -0.12 3.68 1.11 0.83 -0.84 116.67 129.05 3dec s ASP 690 Ca 0.05 0.27 0.02 0.00 0.18 0.00 0.00 52.55 53.07 3dec s ASP 690 Cb -0.18 -2.01 -0.00 0.00 1.07 0.00 0.00 42.92 41.80 3dec s ASP 690 CO 0.09 0.27 -0.19 -0.76 1.18 0.00 0.00 175.17 175.75 3dec s LEU 691 N -0.19 2.33 0.02 1.23 1.43 0.54 -0.75 118.68 123.29 3dec s LEU 691 Ca 0.10 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3dec s LEU 691 Cb -0.12 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3dec s LEU 691 CO 0.01 0.13 -0.14 -0.83 0.23 0.00 0.00 176.35 175.75 3dec s GLY 692 N 0.52 0.74 -0.03 -3.19 0.00 0.98 -1.37 107.32 104.97 3dec s GLY 692 Ca -0.12 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 43.93 3dec s GLY 692 CO 0.05 -0.69 -0.25 -0.98 0.00 0.00 0.00 173.10 171.23 3dec s TRP 693 N -0.66 2.39 0.18 1.90 0.52 -0.31 0.32 118.94 123.27 3dec s TRP 693 Ca 0.03 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.73 3dec s TRP 693 Cb -0.07 -1.53 -0.05 0.00 -1.15 0.00 0.00 33.47 30.67 3dec s TRP 693 CO 0.01 -0.04 -0.04 0.95 0.02 0.00 0.00 176.95 177.85 3dec s THR 694 N -0.55 0.94 0.19 2.01 -4.23 -0.74 -0.55 115.64 112.71 3dec s THR 694 Ca 0.08 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.41 3dec s THR 694 Cb -0.11 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 3dec s THR 694 CO -0.00 -0.53 0.63 0.00 -0.54 0.00 0.00 174.62 174.18 3dec s ARG 695 N -3.84 4.08 0.14 3.99 1.70 -1.26 -0.26 118.95 123.50 3dec s ARG 695 Ca 0.22 0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 56.02 3dec s ARG 695 Cb 0.05 -2.86 -0.04 0.00 -0.57 0.00 0.00 34.95 31.53 3dec s ARG 695 CO 0.04 0.41 1.47 0.87 -1.08 0.00 0.00 175.30 177.01 3dec h LYS 696 N 3.36 0.92 -5.69 3.89 1.57 -1.53 -3.43 116.57 115.66 3dec h LYS 696 Ca -0.48 -0.50 -0.67 0.00 -1.87 0.00 0.00 60.65 57.12 3dec h LYS 696 Cb 1.19 0.03 -0.27 0.00 0.08 0.00 0.00 32.23 33.26 3dec h LYS 696 CO 0.66 1.15 -0.79 0.15 -0.57 0.00 0.00 179.45 180.05 3dec s LYS 697 N -4.33 3.02 0.71 3.15 1.02 -1.26 -4.99 119.74 117.06 3dec s LYS 697 Ca -0.11 -0.72 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 3dec s LYS 697 Cb 0.11 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.96 3dec s LYS 697 CO 0.88 0.35 1.13 -1.54 -0.92 0.00 0.00 175.35 175.25 3dec s SER 698 N -0.02 4.63 0.46 2.83 1.04 -1.26 -4.90 113.70 116.47 3dec s SER 698 Ca -0.04 2.07 0.07 0.00 0.48 0.00 0.00 55.95 58.53 3dec s SER 698 Cb -0.14 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 3dec s SER 698 CO 0.04 -1.96 0.39 0.42 0.98 0.00 0.00 173.24 173.11 3dec s THR 699 N -2.38 2.36 -1.99 2.02 -4.23 -0.90 -4.99 115.64 105.53 3dec s THR 699 Ca 0.68 -1.39 0.20 0.00 -1.18 0.00 0.00 61.69 60.00 3dec s THR 699 Cb -0.22 -2.75 0.58 0.00 1.34 0.00 0.00 72.50 71.45 3dec s THR 699 CO 0.46 0.00 1.61 -2.65 -0.54 0.00 0.00 174.62 173.50 3dec n PRO 700 N -1.61 0.63 -0.01 3.99 -0.02 -1.26 -3.01 135.00 133.72 3dec n PRO 700 Ca 0.03 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.55 3dec n PRO 700 Cb 0.63 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 3dec n PRO 700 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dec n LEU 701 N -1.01 0.00 -3.68 2.45 4.77 -1.26 -4.95 117.00 113.32 3dec n LEU 701 Ca 0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 3dec n LEU 701 Cb 0.07 0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 3dec n LEU 701 CO 0.12 0.01 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.14 3dec s VAL 702 N -2.64 0.17 1.03 4.08 1.01 -1.16 -4.88 120.40 118.00 3dec s VAL 702 Ca -0.04 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3dec s VAL 702 Cb 0.06 -0.64 0.23 0.00 0.00 0.00 0.00 36.38 36.03 3dec s VAL 702 CO 0.40 -0.10 1.28 1.51 0.00 0.00 0.00 175.10 178.19 3dec s ASP 703 N 2.03 2.50 0.00 3.32 1.47 -1.26 -2.13 116.67 122.60 3dec s ASP 703 Ca 0.02 0.31 0.08 0.00 1.18 0.00 0.00 52.55 54.14 3dec s ASP 703 Cb -0.15 -0.36 0.30 0.00 -0.34 0.00 0.00 42.92 42.37 3dec s ASP 703 CO -0.07 -3.12 1.23 0.35 0.68 0.00 0.00 175.17 174.24 3dec n THR 704 N -4.03 0.23 0.31 2.11 -2.24 -1.26 -3.05 114.28 106.34 3dec n THR 704 Ca 0.15 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3dec n THR 704 Cb 0.59 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.98 3dec n THR 704 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dec n ALA 705 N 0.00 2.46 -2.65 6.98 0.00 -1.26 -4.54 120.51 121.50 3dec n ALA 705 Ca 0.08 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 3dec n ALA 705 Cb 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 3dec n ALA 705 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3dec s TRP 706 N -0.70 3.36 -0.76 0.00 -0.11 -1.17 -4.97 118.94 114.59 3dec s TRP 706 Ca 0.10 1.05 -0.26 0.00 1.22 0.00 0.00 56.10 58.22 3dec s TRP 706 Cb 0.07 -2.92 -0.00 0.00 -1.50 0.00 0.00 33.47 29.11 3dec s TRP 706 CO 0.10 -0.27 1.65 -2.00 -4.62 0.00 0.00 176.95 171.82 3dec s GLU 707 N 2.27 2.91 0.09 5.86 2.12 -1.26 -4.60 118.70 126.09 3dec s GLU 707 Ca 0.32 -0.04 0.27 0.00 0.36 0.00 0.00 54.97 55.89 3dec s GLU 707 Cb -0.16 -4.59 1.04 0.00 0.26 0.00 0.00 34.13 30.69 3dec s GLU 707 CO 0.10 -2.61 1.85 0.44 -0.54 0.00 0.00 175.26 174.50 3dec n ILE 708 N 7.05 0.29 -3.64 -3.70 -6.64 0.28 -4.78 119.36 108.22 3dec n ILE 708 Ca 0.21 -0.11 -0.08 0.00 -1.77 0.00 0.00 62.75 61.00 3dec n ILE 708 Cb 0.50 -0.56 -0.07 0.00 -1.44 0.00 0.00 39.64 38.07 3dec n ILE 708 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3dec s ALA 709 N -3.05 -1.95 0.25 -1.28 0.00 -1.24 -4.61 121.76 109.88 3dec s ALA 709 Ca 0.12 2.16 0.01 0.00 0.00 0.00 0.00 51.96 54.25 3dec s ALA 709 Cb 0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3dec s ALA 709 CO 0.55 -0.33 0.21 1.52 0.00 0.00 0.00 175.76 177.71 3dec s TYR 710 N 0.93 1.29 -0.28 0.00 -0.85 -1.26 -1.16 117.35 116.02 3dec s TYR 710 Ca -0.04 -1.42 -0.21 0.00 -0.52 0.00 0.00 57.07 54.87 3dec s TYR 710 Cb -0.05 -0.54 0.09 0.00 0.38 0.00 0.00 41.96 41.84 3dec s TYR 710 CO -0.10 -0.76 0.78 -0.51 -1.52 0.00 0.00 175.55 173.44 3dec s ASP 711 N -3.22 -0.75 0.06 -0.18 1.01 -0.47 -4.95 116.67 108.18 3dec s ASP 711 Ca 0.38 1.33 0.07 0.00 0.71 0.00 0.00 52.55 55.04 3dec s ASP 711 Cb 0.05 1.33 -0.03 0.00 1.01 0.00 0.00 42.92 45.28 3dec s ASP 711 CO 0.17 -0.22 -0.19 -1.58 0.21 0.00 0.00 175.17 173.55 3dec s GLN 712 N 0.85 1.20 -0.01 8.23 0.74 -1.26 -0.34 119.66 129.08 3dec s GLN 712 Ca -0.04 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 54.42 3dec s GLN 712 Cb -0.05 -1.34 -0.01 0.00 1.10 0.00 0.00 33.01 32.71 3dec s GLN 712 CO -0.08 0.33 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.84 3dec s PHE 713 N -0.94 0.78 -0.14 1.67 0.08 -0.02 -4.95 117.98 114.45 3dec s PHE 713 Ca 0.06 -0.15 -0.22 0.00 0.12 0.00 0.00 56.93 56.73 3dec s PHE 713 Cb -0.09 -0.51 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3dec s PHE 713 CO 0.02 -0.02 0.68 0.08 -0.10 0.00 0.00 175.22 175.88 3dec s VAL 714 N -0.17 5.02 -0.38 -0.44 1.01 -1.26 -0.89 120.40 123.30 3dec s VAL 714 Ca 0.03 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3dec s VAL 714 Cb -0.04 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.44 3dec s VAL 714 CO -0.00 0.17 0.15 -0.76 0.00 0.00 0.00 175.10 174.65 3dec s LEU 715 N 1.44 4.90 0.41 3.92 1.43 0.38 -4.97 118.68 126.19 3dec s LEU 715 Ca 0.33 -1.84 -0.27 0.00 -1.03 0.00 0.00 54.13 51.33 3dec s LEU 715 Cb -0.17 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.16 3dec s LEU 715 CO 0.13 -0.47 1.43 -2.84 0.23 0.00 0.00 176.35 174.83 3dec s PRO 716 N 1.16 3.94 0.29 1.29 0.02 -1.26 -0.37 135.00 140.07 3dec s PRO 716 Ca 0.05 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.53 3dec s PRO 716 Cb -0.22 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 3dec s PRO 716 CO -0.03 -0.61 0.09 0.00 -0.33 0.00 0.00 177.00 176.12 3dec n ALA 717 N 0.19 0.40 0.71 -1.55 0.00 -1.09 -4.82 120.51 114.35 3dec n ALA 717 Ca 0.03 -1.48 0.11 0.00 0.00 0.00 0.00 53.44 52.10 3dec n ALA 717 Cb 0.41 0.98 -0.07 0.00 0.00 0.00 0.00 19.45 20.77 3dec n ALA 717 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dec n SER 718 N -1.64 0.68 -4.59 0.00 7.64 -1.22 -4.76 113.62 109.74 3dec n SER 718 Ca -0.05 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 3dec n SER 718 Cb 0.43 1.08 0.02 0.00 -1.01 0.00 0.00 64.21 64.73 3dec n SER 718 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dec n GLY 719 N 1.42 -0.40 0.08 0.23 0.00 -0.74 -4.92 105.19 100.86 3dec n GLY 719 Ca 0.02 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.23 3dec n GLY 719 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dec n LYS 720 N 0.09 0.63 -4.31 1.61 4.76 -1.26 -4.56 118.16 115.11 3dec n LYS 720 Ca 0.10 0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.35 3dec n LYS 720 Cb 0.40 -1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 31.74 3dec n LYS 720 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3dec s VAL 721 N -3.31 1.59 -0.10 -0.18 0.11 -1.26 -5.08 120.40 112.16 3dec s VAL 721 Ca -0.03 -1.44 -0.30 0.00 -2.93 0.00 0.00 61.98 57.28 3dec s VAL 721 Cb 0.11 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 3dec s VAL 721 CO 0.83 -0.05 1.43 0.26 -3.33 0.00 0.00 175.10 174.24 3dec s TRP 722 N -1.12 2.52 -1.05 1.54 0.52 -1.26 -4.37 118.94 115.72 3dec s TRP 722 Ca 0.05 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.84 3dec s TRP 722 Cb -0.10 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.54 3dec s TRP 722 CO 0.03 -2.63 0.26 0.09 0.02 0.00 0.00 176.95 174.72 3dec n ASN 723 N 6.59 0.00 -0.00 2.95 3.02 -1.26 0.13 115.26 126.69 3dec n ASN 723 Ca 0.15 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.71 3dec n ASN 723 Cb 0.44 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.49 3dec n ASN 723 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dec n GLY 724 N -0.75 -1.12 3.65 7.41 0.00 -1.26 -4.94 105.19 108.18 3dec n GLY 724 Ca 0.00 -0.28 -0.54 0.00 0.00 0.00 0.00 46.02 45.20 3dec n GLY 724 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dec n LYS 725 N -2.67 1.29 -1.38 1.61 4.81 0.36 -4.96 118.16 117.22 3dec n LYS 725 Ca -0.13 0.47 -0.29 0.00 -0.87 0.00 0.00 58.31 57.49 3dec n LYS 725 Cb 0.82 -2.15 0.19 0.00 0.02 0.00 0.00 35.03 33.91 3dec n LYS 725 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3dec s PRO 726 N 2.09 0.06 0.15 1.64 0.04 -1.26 -5.02 135.00 132.70 3dec s PRO 726 Ca 0.91 0.07 0.05 0.00 0.04 0.00 0.00 61.00 62.06 3dec s PRO 726 Cb -0.97 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 3dec s PRO 726 CO 0.55 -2.89 0.10 -1.54 0.04 0.00 0.00 177.00 173.26 3dec s SER 727 N -4.04 5.40 -0.11 6.66 1.04 -1.26 -5.04 113.70 116.35 3dec s SER 727 Ca 0.68 -0.15 -0.40 0.00 0.48 0.00 0.00 55.95 56.56 3dec s SER 727 Cb -0.12 -1.38 -0.19 0.00 0.10 0.00 0.00 66.02 64.43 3dec s SER 727 CO 0.55 0.09 1.15 1.21 0.98 0.00 0.00 173.24 177.22 3dec n GLU 728 N -0.15 0.00 -1.90 4.02 2.13 -1.26 -4.88 120.64 118.61 3dec n GLU 728 Ca -0.09 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.57 3dec n GLU 728 Cb 0.54 -1.45 0.05 0.00 0.27 0.00 0.00 31.44 30.85 3dec n GLU 728 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dec n ALA 729 N 2.01 4.47 0.00 4.31 0.00 -1.26 -5.09 120.51 124.95 3dec n ALA 729 Ca 0.22 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 50.09 3dec n ALA 729 Cb 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3dec n ALA 729 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dec n GLY 730 N -0.73 -0.69 3.50 0.00 0.00 -1.26 -4.76 105.19 101.25 3dec n GLY 730 Ca 0.35 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3dec n GLY 730 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dec s LYS 731 N 0.00 3.29 0.08 1.61 2.20 -1.26 -4.83 119.74 120.84 3dec s LYS 731 Ca 0.00 -0.79 -0.24 0.00 -0.36 0.00 0.00 55.97 54.58 3dec s LYS 731 Cb 0.00 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 3dec s LYS 731 CO 0.00 -0.55 0.73 0.99 -0.36 0.00 0.00 175.35 176.16 3dec s THR 732 N 1.70 4.62 0.24 3.43 2.01 -1.26 -1.75 115.64 124.63 3dec s THR 732 Ca 0.05 1.56 0.03 0.00 0.31 0.00 0.00 61.69 63.65 3dec s THR 732 Cb -0.18 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 3dec s THR 732 CO 0.10 0.45 0.03 0.42 -0.69 0.00 0.00 174.62 174.93 3dec s THR 733 N -0.58 0.90 0.19 -0.82 -4.23 -1.11 -5.00 115.64 105.00 3dec s THR 733 Ca 0.36 -2.02 -0.24 0.00 -1.18 0.00 0.00 61.69 58.61 3dec s THR 733 Cb -0.21 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.23 3dec s THR 733 CO 0.23 -0.22 0.81 0.72 -0.54 0.00 0.00 174.62 175.62 3dec s PHE 734 N -3.51 -0.23 -0.13 3.99 -0.12 -1.26 -1.51 117.98 115.21 3dec s PHE 734 Ca 0.31 -0.10 -0.13 0.00 -0.05 0.00 0.00 56.93 56.96 3dec s PHE 734 Cb 0.07 0.65 0.03 0.00 -0.63 0.00 0.00 43.02 43.14 3dec s PHE 734 CO 0.10 -0.96 0.36 -2.00 -0.05 0.00 0.00 175.22 172.67 3dec s GLU 735 N -3.58 0.43 0.07 1.99 2.12 -0.89 -4.93 118.70 113.92 3dec s GLU 735 Ca 0.09 0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.96 3dec s GLU 735 Cb -0.03 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 3dec s GLU 735 CO 0.01 -0.06 -0.12 0.08 -0.54 0.00 0.00 175.26 174.63 3dec s VAL 736 N 0.12 3.25 -0.15 3.70 1.01 -1.26 -0.77 120.40 126.29 3dec s VAL 736 Ca -0.01 -1.18 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 3dec s VAL 736 Cb -0.03 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3dec s VAL 736 CO 0.01 0.21 0.70 -0.62 0.00 0.00 0.00 175.10 175.40 3dec s ASP 737 N -1.89 6.84 0.53 3.32 2.15 -0.35 -4.85 116.67 122.42 3dec s ASP 737 Ca 0.19 1.02 0.35 0.00 0.43 0.00 0.00 52.55 54.54 3dec s ASP 737 Cb -0.11 -2.39 1.51 0.00 -0.30 0.00 0.00 42.92 41.63 3dec s ASP 737 CO 0.10 -0.26 1.80 -0.33 -0.17 0.00 0.00 175.17 176.31 3dec h GLU 738 N 7.23 0.04 0.00 4.34 5.08 -1.98 -1.76 114.58 127.53 3dec h GLU 738 Ca -0.33 -0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.71 3dec h GLU 738 Cb 1.15 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 3dec h GLU 738 CO 0.79 0.02 -2.19 0.09 -1.00 0.00 0.00 179.01 176.72 3dec n ASN 739 N -4.23 1.76 -0.02 1.42 3.02 -1.26 -4.66 115.26 111.29 3dec n ASN 739 Ca 0.26 -0.07 0.04 0.00 -0.03 0.00 0.00 54.58 54.78 3dec n ASN 739 Cb 1.22 0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 40.43 3dec n ASN 739 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dec n THR 740 N -2.92 0.20 -1.11 3.41 -2.24 -1.20 -0.46 114.28 109.96 3dec n THR 740 Ca -0.34 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 61.01 3dec n THR 740 Cb 0.96 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3dec n THR 740 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dec n GLY 741 N 1.76 0.68 3.89 3.38 0.00 -0.67 -4.47 105.19 109.77 3dec n GLY 741 Ca -0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3dec n GLY 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dec s ALA 742 N -2.11 3.62 -0.55 4.61 0.00 -1.26 -4.69 121.76 121.38 3dec s ALA 742 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 3dec s ALA 742 Cb 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.80 3dec s ALA 742 CO 0.00 0.35 1.51 -1.17 0.00 0.00 0.00 175.76 176.45 3dec s LEU 743 N -3.27 3.39 0.01 0.00 2.96 -1.14 -1.21 118.68 119.42 3dec s LEU 743 Ca 0.45 0.38 0.23 0.00 -0.22 0.00 0.00 54.13 54.96 3dec s LEU 743 Cb -0.11 -3.02 0.04 0.00 0.50 0.00 0.00 46.19 43.60 3dec s LEU 743 CO 0.27 -1.80 1.07 2.29 -1.32 0.00 0.00 176.35 176.86 3dec n LYS 744 N 8.72 0.06 -3.74 1.98 2.85 0.05 -1.13 118.16 126.95 3dec n LYS 744 Ca 0.14 -0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.26 3dec n LYS 744 Cb 0.49 -1.51 -0.09 0.00 -0.65 0.00 0.00 35.03 33.27 3dec n LYS 744 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3dec s SER 745 N -3.17 -0.28 -0.24 -5.58 0.15 -1.09 -4.72 113.70 98.77 3dec s SER 745 Ca 0.08 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 3dec s SER 745 Cb 0.16 0.43 0.12 0.00 -1.71 0.00 0.00 66.02 65.02 3dec s SER 745 CO 0.81 -0.40 0.30 -0.22 1.20 0.00 0.00 173.24 174.93 3dec s LEU 746 N -1.00 -0.36 0.28 3.45 2.96 -1.26 -2.10 118.68 120.66 3dec s LEU 746 Ca -0.11 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3dec s LEU 746 Cb -0.04 0.70 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 3dec s LEU 746 CO 0.04 -0.33 0.19 0.00 -1.32 0.00 0.00 176.35 174.92 3dec s LEU 748 N -3.86 2.15 -1.23 0.00 2.96 -0.55 -2.73 118.68 115.41 3dec s LEU 748 Ca 0.35 -1.62 -0.05 0.00 -0.22 0.00 0.00 54.13 52.59 3dec s LEU 748 Cb -0.07 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.79 3dec s LEU 748 CO 0.24 -0.42 0.64 0.47 -1.32 0.00 0.00 176.35 175.97 3dec n ASP 749 N 4.87 -5.42 0.00 3.68 8.00 -0.72 -2.97 116.55 123.99 3dec n ASP 749 Ca -0.02 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3dec n ASP 749 Cb 0.42 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 3dec n ASP 749 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dec n GLY 750 N -1.50 2.98 3.65 0.44 0.00 -1.26 -5.04 105.19 104.46 3dec n GLY 750 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3dec n GLY 750 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dec s GLU 751 N -0.14 4.12 0.47 1.61 2.02 -1.16 -4.88 118.70 120.74 3dec s GLU 751 Ca 0.00 1.40 -0.24 0.00 0.02 0.00 0.00 54.97 56.15 3dec s GLU 751 Cb 0.00 -3.78 -0.07 0.00 0.10 0.00 0.00 34.13 30.39 3dec s GLU 751 CO 0.00 -0.85 1.30 -2.00 0.02 0.00 0.00 175.26 173.73 3dec s GLU 752 N 3.68 3.58 -0.01 1.61 2.56 -1.26 -1.49 118.70 127.38 3dec s GLU 752 Ca 0.52 2.12 0.07 0.00 0.00 0.00 0.00 54.97 57.68 3dec s GLU 752 Cb -0.18 -2.48 -0.10 0.00 2.00 0.00 0.00 34.13 33.37 3dec s GLU 752 CO 0.16 -0.80 0.21 1.28 -0.56 0.00 0.00 175.26 175.55 3dec n LEU 753 N -0.48 0.12 -4.77 2.70 4.77 -0.26 -4.93 117.00 114.15 3dec n LEU 753 Ca 0.07 -0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.52 3dec n LEU 753 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3dec n LEU 753 CO 0.53 0.03 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.61 3dec s LEU 754 N -3.08 3.89 -0.02 2.23 1.43 -1.26 -4.68 118.68 117.19 3dec s LEU 754 Ca -0.01 0.22 0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3dec s LEU 754 Cb 0.05 -2.07 -0.30 0.00 0.03 0.00 0.00 46.19 43.89 3dec s LEU 754 CO 0.30 0.34 0.55 0.00 0.23 0.00 0.00 176.35 177.77 3dec n ALA 755 N 1.69 3.18 -2.33 4.21 0.00 0.32 -4.88 120.51 122.70 3dec n ALA 755 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 3dec n ALA 755 Cb 0.54 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 3dec n ALA 755 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dec s SER 756 N -4.10 0.23 0.74 0.00 1.04 -0.94 -4.91 113.70 105.75 3dec s SER 756 Ca -0.04 -1.10 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 3dec s SER 756 Cb 0.14 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.64 3dec s SER 756 CO 0.87 -0.78 1.23 -2.84 0.98 0.00 0.00 173.24 172.69 3dec s PRO 757 N -4.02 2.03 -0.17 4.02 0.01 -1.26 -4.29 135.00 131.31 3dec s PRO 757 Ca 0.22 1.83 -0.22 0.00 0.01 0.00 0.00 61.00 62.83 3dec s PRO 757 Cb 0.06 -1.81 -0.02 0.00 0.01 0.00 0.00 34.50 32.74 3dec s PRO 757 CO 0.01 -1.94 0.70 0.08 0.01 0.00 0.00 177.00 175.86 3dec s VAL 758 N -1.92 4.98 0.28 3.83 1.01 -0.28 -4.44 120.40 123.86 3dec s VAL 758 Ca 0.76 1.35 0.02 0.00 0.00 0.00 0.00 61.98 64.10 3dec s VAL 758 Cb -0.31 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3dec s VAL 758 CO 0.46 0.10 0.12 0.42 0.00 0.00 0.00 175.10 176.20 3dec s THR 759 N 1.84 0.51 -0.02 3.92 -4.23 -0.97 -2.89 115.64 113.79 3dec s THR 759 Ca 0.33 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 3dec s THR 759 Cb -0.16 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 3dec s THR 759 CO 0.12 0.00 0.61 -0.63 -0.54 0.00 0.00 174.62 174.18 3dec s ILE 760 N -3.67 4.95 0.08 2.99 1.01 -1.26 -0.60 121.20 124.70 3dec s ILE 760 Ca 0.36 1.27 0.09 0.00 0.00 0.00 0.00 60.65 62.38 3dec s ILE 760 Cb 0.07 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3dec s ILE 760 CO 0.15 0.38 -0.22 -0.94 0.00 0.00 0.00 174.94 174.31 3dec s SER 761 N 0.05 3.55 0.00 3.58 1.04 -0.15 -4.88 113.70 116.89 3dec s SER 761 Ca 0.32 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3dec s SER 761 Cb -0.18 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.52 3dec s SER 761 CO 0.17 0.22 0.23 0.18 0.98 0.00 0.00 173.24 175.02 3dec n LEU 762 N 1.27 0.46 -4.29 2.42 4.77 -1.26 -3.00 117.00 117.38 3dec n LEU 762 Ca -0.17 -0.60 -0.24 0.00 -0.03 0.00 0.00 56.01 54.97 3dec n LEU 762 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 3dec n LEU 762 CO 0.25 0.11 -0.52 0.12 -1.33 0.00 0.00 177.39 176.03 3dec s PHE 763 N -0.29 1.81 0.04 -1.77 5.36 -1.26 -0.41 117.98 121.46 3dec s PHE 763 Ca 0.00 -0.41 0.05 0.00 -0.96 0.00 0.00 56.93 55.61 3dec s PHE 763 Cb 0.00 -1.00 -0.02 0.00 -0.34 0.00 0.00 43.02 41.66 3dec s PHE 763 CO 0.00 0.20 -0.14 -0.98 -1.46 0.00 0.00 175.22 172.84 3dec s ARG 764 N -1.86 0.97 0.15 10.12 1.70 -1.26 -4.83 118.95 123.94 3dec s ARG 764 Ca 0.07 -0.76 -0.33 0.00 -0.47 0.00 0.00 55.73 54.24 3dec s ARG 764 Cb -0.10 -0.98 -0.13 0.00 -0.57 0.00 0.00 34.95 33.17 3dec s ARG 764 CO 0.04 0.24 1.65 -2.30 -1.08 0.00 0.00 175.30 173.85 3dec n PRO 765 N 1.93 2.31 -1.63 3.89 -0.02 -1.26 -4.76 135.00 135.47 3dec n PRO 765 Ca -0.18 0.84 -0.48 0.00 -2.02 0.00 0.00 63.50 61.66 3dec n PRO 765 Cb 0.55 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3dec n PRO 765 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dec n ALA 766 N 3.93 0.13 -1.70 3.55 0.00 -1.26 -2.58 120.51 122.58 3dec n ALA 766 Ca 0.17 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.78 3dec n ALA 766 Cb 0.31 -2.18 0.18 0.00 0.00 0.00 0.00 19.45 17.76 3dec n ALA 766 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dec s THR 767 N 0.35 1.91 0.13 0.00 -4.23 -1.26 -4.16 115.64 108.38 3dec s THR 767 Ca 0.77 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.15 3dec s THR 767 Cb -0.80 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 3dec s THR 767 CO 0.46 0.00 1.54 0.44 -0.54 0.00 0.00 174.62 176.52 3dec h ASP 768 N -1.78 0.83 -0.61 3.99 3.32 -1.95 -2.49 116.42 117.74 3dec h ASP 768 Ca -0.45 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.27 3dec h ASP 768 Cb 1.27 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 3dec h ASP 768 CO 0.42 1.01 0.34 0.78 -1.72 0.00 0.00 179.24 180.08 3dec h ASN 769 N 0.64 0.52 -0.83 6.45 2.35 -1.87 -2.17 115.58 120.68 3dec h ASN 769 Ca 0.10 0.02 0.21 0.00 -0.55 0.00 0.00 56.30 56.08 3dec h ASN 769 Cb 0.65 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.89 3dec h ASN 769 CO 0.04 0.35 0.57 0.44 -1.65 0.00 0.00 177.43 177.19 3dec h ASP 770 N 0.66 0.22 1.49 5.81 3.32 -1.74 0.23 116.42 126.40 3dec h ASP 770 Ca 0.26 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3dec h ASP 770 Cb 0.11 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3dec h ASP 770 CO -0.15 0.09 -0.18 0.78 -1.72 0.00 0.00 179.24 178.07 3dec h ASN 771 N 0.22 0.00 0.00 6.45 2.35 -1.21 0.58 115.58 123.96 3dec h ASN 771 Ca 0.41 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.83 3dec h ASN 771 Cb 1.28 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.59 3dec h ASN 771 CO -0.09 0.18 -2.32 0.54 -1.65 0.00 0.00 177.43 174.09 3dec n ARG 772 N -3.19 0.81 -1.61 0.81 1.74 0.33 -4.66 116.66 110.89 3dec n ARG 772 Ca 0.02 -0.02 -0.52 0.00 -0.77 0.00 0.00 57.85 56.56 3dec n ARG 772 Cb 0.53 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 3dec n ARG 772 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dec n ASP 773 N -2.69 1.77 -0.55 0.55 -0.08 0.54 -4.87 116.55 111.22 3dec n ASP 773 Ca -0.30 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 3dec n ASP 773 Cb 1.10 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 43.37 3dec n ASP 773 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3dec n ARG 774 N 2.88 0.00 0.00 -0.67 0.63 -1.26 -4.57 116.66 113.67 3dec n ARG 774 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 3dec n ARG 774 Cb 0.19 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 32.41 3dec n ARG 774 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dec n GLY 776 N 0.21 -0.35 0.24 5.14 0.00 -1.26 -4.88 105.19 104.30 3dec n GLY 776 Ca 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.56 3dec n GLY 776 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dec h ALA 777 N 0.00 1.00 -0.09 4.61 0.00 -0.08 -0.98 119.26 123.72 3dec h ALA 777 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3dec h ALA 777 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dec h ALA 777 CO 0.00 0.00 0.01 0.87 0.00 0.00 0.00 179.25 180.13 3dec h LYS 778 N 0.00 0.05 0.02 0.00 1.57 -1.83 -0.32 116.57 116.06 3dec h LYS 778 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dec h LYS 778 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3dec h LYS 778 CO 0.00 0.03 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.83 3dec h LEU 779 N 0.05 -0.02 -0.20 2.94 4.07 -1.52 -2.69 115.31 117.93 3dec h LEU 779 Ca 0.04 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.86 3dec h LEU 779 Cb 0.03 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.72 3dec h LEU 779 CO -0.05 0.18 -0.22 -0.50 -1.08 0.00 0.00 178.44 176.76 3dec h TRP 780 N -0.23 -0.59 0.00 1.13 6.55 -1.43 -0.93 115.95 120.46 3dec h TRP 780 Ca -0.00 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.80 3dec h TRP 780 Cb 0.21 0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 3dec h TRP 780 CO -0.01 -0.30 -0.36 0.00 -1.05 0.00 0.00 178.44 176.72 3dec h ARG 781 N -0.25 0.00 0.00 0.49 3.08 -1.08 -1.59 114.38 115.03 3dec h ARG 781 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 3dec h ARG 781 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3dec h ARG 781 CO -0.35 0.36 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.42 3dec h LYS 782 N 0.00 0.00 -0.01 0.04 3.64 -1.10 -2.49 116.57 116.66 3dec h LYS 782 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dec h LYS 782 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3dec h LYS 782 CO 0.05 0.16 -0.19 0.00 -2.27 0.00 0.00 179.45 177.20 3dec n ALA 783 N -2.15 2.92 -1.71 5.00 0.00 -0.39 -4.94 120.51 119.24 3dec n ALA 783 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 3dec n ALA 783 Cb 0.60 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 3dec n ALA 783 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dec n GLY 784 N 1.31 0.44 0.25 0.00 0.00 -0.83 -4.75 105.19 101.62 3dec n GLY 784 Ca 0.13 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.63 3dec n GLY 784 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dec h LEU 785 N 0.00 0.00 -0.35 0.99 3.38 -1.55 -1.22 115.31 116.55 3dec h LEU 785 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dec h LEU 785 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3dec h LEU 785 CO 0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3dec n HIS 786 N -2.80 0.03 -3.12 1.13 1.44 -1.26 -4.21 115.22 106.43 3dec n HIS 786 Ca -0.01 -0.01 -0.20 0.00 -2.01 0.00 0.00 57.72 55.49 3dec n HIS 786 Cb 0.17 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.25 3dec n HIS 786 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3dec n THR 787 N -0.52 0.50 -3.51 0.61 -2.24 -0.46 -5.00 114.28 103.66 3dec n THR 787 Ca 0.19 -4.74 -0.33 0.00 -2.27 0.00 0.00 64.05 56.91 3dec n THR 787 Cb 0.18 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 3dec n THR 787 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dec s LEU 788 N -2.66 4.24 0.08 3.22 1.43 -1.26 -2.21 118.68 121.53 3dec s LEU 788 Ca 0.41 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 3dec s LEU 788 Cb 0.34 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3dec s LEU 788 CO -0.09 0.02 -0.09 0.42 0.23 0.00 0.00 176.35 176.84 3dec s THR 789 N -1.67 0.82 -0.16 5.49 -4.23 0.66 -4.98 115.64 111.57 3dec s THR 789 Ca 0.42 -1.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.33 3dec s THR 789 Cb -0.12 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.45 3dec s THR 789 CO 0.21 -0.55 0.02 -1.10 -0.54 0.00 0.00 174.62 172.66 3dec s GLN 790 N -2.64 3.73 -0.08 3.99 -0.21 -1.26 -0.06 119.66 123.14 3dec s GLN 790 Ca 0.03 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.04 3dec s GLN 790 Cb -0.03 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 3dec s GLN 790 CO -0.01 0.34 -0.20 0.21 -2.12 0.00 0.00 175.29 173.51 3dec s LYS 791 N 0.15 2.78 0.10 2.91 2.20 0.52 -4.21 119.74 124.20 3dec s LYS 791 Ca 0.02 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.50 3dec s LYS 791 Cb -0.13 -2.32 -0.08 0.00 -1.51 0.00 0.00 37.83 33.80 3dec s LYS 791 CO 0.01 0.36 1.37 0.08 -0.36 0.00 0.00 175.35 176.82 3dec s VAL 792 N -0.09 3.40 -0.16 4.02 1.01 0.39 0.34 120.40 129.31 3dec s VAL 792 Ca -0.04 1.00 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3dec s VAL 792 Cb -0.14 -3.64 -0.23 0.00 0.00 0.00 0.00 36.38 32.37 3dec s VAL 792 CO 0.04 0.07 0.20 0.52 0.00 0.00 0.00 175.10 175.94 3dec n VAL 793 N 3.99 1.59 -3.62 2.92 0.31 0.37 -4.88 118.33 119.01 3dec n VAL 793 Ca 0.11 -0.70 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 3dec n VAL 793 Cb 0.43 -1.26 -0.07 0.00 -0.91 0.00 0.00 33.84 32.03 3dec n VAL 793 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3dec s SER 794 N -6.40 -0.65 -0.07 4.52 1.04 -1.08 -5.00 113.70 106.07 3dec s SER 794 Ca -0.20 1.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 3dec s SER 794 Cb 0.07 1.16 0.03 0.00 0.10 0.00 0.00 66.02 67.38 3dec s SER 794 CO 0.74 -0.27 0.01 -0.22 0.98 0.00 0.00 173.24 174.48 3dec s LEU 795 N 0.09 0.59 -0.06 2.42 2.96 -1.26 -0.87 118.68 122.55 3dec s LEU 795 Ca -0.01 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.88 3dec s LEU 795 Cb -0.04 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 3dec s LEU 795 CO 0.00 -0.19 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.10 3dec s LYS 796 N 1.93 2.59 -0.03 1.98 -0.14 0.09 -4.98 119.74 121.17 3dec s LYS 796 Ca 0.04 -0.81 0.03 0.00 -1.36 0.00 0.00 55.97 53.87 3dec s LYS 796 Cb -0.12 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 3dec s LYS 796 CO -0.05 0.46 -0.12 -2.00 -0.76 0.00 0.00 175.35 172.88 3dec s GLU 797 N -0.33 1.26 0.51 1.68 2.12 -1.26 -0.17 118.70 122.50 3dec s GLU 797 Ca 0.02 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.96 3dec s GLU 797 Cb -0.13 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.12 3dec s GLU 797 CO 0.02 0.15 0.01 -1.54 -0.54 0.00 0.00 175.26 173.36 3dec s SER 798 N 0.18 4.09 0.47 -1.70 1.04 0.10 -5.01 113.70 112.88 3dec s SER 798 Ca -0.04 -1.67 0.23 0.00 0.48 0.00 0.00 55.95 54.95 3dec s SER 798 Cb -0.10 0.57 1.25 0.00 0.10 0.00 0.00 66.02 67.84 3dec s SER 798 CO 0.01 -0.88 1.88 0.11 0.98 0.00 0.00 173.24 175.34 3dec h LYS 799 N 1.35 0.23 0.00 4.02 1.79 -2.03 -3.08 116.57 118.84 3dec h LYS 799 Ca -0.44 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3dec h LYS 799 Cb 1.32 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 3dec h LYS 799 CO 0.73 0.15 -0.03 0.25 -1.08 0.00 0.00 179.45 179.47 3dec n THR 800 N -4.42 0.52 -3.86 -0.16 -2.24 -1.26 -5.07 114.28 97.79 3dec n THR 800 Ca 0.18 -0.54 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 3dec n THR 800 Cb 0.78 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3dec n THR 800 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dec s SER 801 N -0.64 -0.20 -0.15 3.42 1.04 -1.16 -0.69 113.70 115.32 3dec s SER 801 Ca 0.02 -0.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.63 3dec s SER 801 Cb 0.02 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.81 3dec s SER 801 CO 0.00 -1.17 0.43 0.00 0.98 0.00 0.00 173.24 173.47 3dec s ALA 802 N -3.94 -1.05 -0.13 5.32 0.00 -0.18 -0.72 121.76 121.06 3dec s ALA 802 Ca 0.14 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 3dec s ALA 802 Cb -0.02 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3dec s ALA 802 CO 0.04 -0.21 -0.10 0.99 0.00 0.00 0.00 175.76 176.49 3dec s THR 803 N 0.15 1.25 -0.14 0.00 2.01 0.76 -1.45 115.64 118.21 3dec s THR 803 Ca -0.01 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3dec s THR 803 Cb -0.03 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 3dec s THR 803 CO 0.01 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.15 3dec s ALA 804 N 1.62 2.43 -0.33 7.40 0.00 -0.42 -0.73 121.76 131.73 3dec s ALA 804 Ca 0.05 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 3dec s ALA 804 Cb -0.13 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 3dec s ALA 804 CO -0.09 0.09 0.38 -0.65 0.00 0.00 0.00 175.76 175.49 3dec s GLN 805 N 0.62 3.68 0.17 0.00 1.11 -0.05 -0.36 119.66 124.84 3dec s GLN 805 Ca -0.09 -0.28 0.10 0.00 0.01 0.00 0.00 55.36 55.10 3dec s GLN 805 Cb -0.16 -3.77 -0.04 0.00 -1.01 0.00 0.00 33.01 28.03 3dec s GLN 805 CO 0.03 -0.48 -0.15 0.14 0.01 0.00 0.00 175.29 174.84 3dec s VAL 806 N 2.08 2.90 0.01 1.09 -7.23 0.45 0.14 120.40 119.84 3dec s VAL 806 Ca 0.13 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.42 3dec s VAL 806 Cb -0.16 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 3dec s VAL 806 CO 0.11 -0.08 0.40 0.20 -0.31 0.00 0.00 175.10 175.42 3dec s ASN 807 N -2.68 6.78 -0.41 4.85 0.01 0.15 -1.85 114.94 121.79 3dec s ASN 807 Ca 0.23 0.93 -0.12 0.00 -0.71 0.00 0.00 52.86 53.19 3dec s ASN 807 Cb -0.09 -2.24 0.05 0.00 0.41 0.00 0.00 41.25 39.39 3dec s ASN 807 CO 0.13 0.31 0.27 -0.63 -1.51 0.00 0.00 177.10 175.67 3dec s ILE 808 N -1.12 4.68 0.04 0.60 1.09 -0.64 -0.36 121.20 125.51 3dec s ILE 808 Ca 0.25 -1.04 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 3dec s ILE 808 Cb -0.16 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.48 3dec s ILE 808 CO 0.14 -0.39 -0.07 -0.76 -0.10 0.00 0.00 174.94 173.76 3dec s LEU 809 N 1.55 3.18 0.91 2.97 1.43 0.92 0.18 118.68 129.82 3dec s LEU 809 Ca 0.03 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 3dec s LEU 809 Cb -0.21 -1.88 0.17 0.00 0.03 0.00 0.00 46.19 44.29 3dec s LEU 809 CO 0.06 0.24 1.27 0.54 0.23 0.00 0.00 176.35 178.69 3dec s ASN 810 N -1.75 3.54 0.59 2.29 2.20 -0.68 -0.25 114.94 120.89 3dec s ASN 810 Ca 0.19 0.37 0.39 0.00 -0.94 0.00 0.00 52.86 52.87 3dec s ASN 810 Cb -0.11 -0.54 1.94 0.00 -2.00 0.00 0.00 41.25 40.53 3dec s ASN 810 CO 0.11 -2.48 2.17 1.62 -2.94 0.00 0.00 177.10 175.59 3dec h VAL 811 N -1.43 0.00 0.00 3.54 3.04 -1.66 -0.38 116.25 119.35 3dec h VAL 811 Ca -0.44 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3dec h VAL 811 Cb 1.26 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3dec h VAL 811 CO 0.45 0.00 0.00 0.41 -1.01 0.00 0.00 177.57 177.42 3dec n THR 812 N -3.01 0.28 -0.09 3.17 -1.04 -1.26 -4.89 114.28 107.44 3dec n THR 812 Ca -0.01 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3dec n THR 812 Cb 0.16 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 3dec n THR 812 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dec n GLY 813 N 0.86 1.49 3.77 3.41 0.00 -0.15 -5.05 105.19 109.51 3dec n GLY 813 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dec n GLY 813 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dec s LYS 814 N -0.45 4.26 -0.29 1.61 2.20 -1.26 -4.71 119.74 121.10 3dec s LYS 814 Ca 0.00 2.35 -0.29 0.00 -0.36 0.00 0.00 55.97 57.67 3dec s LYS 814 Cb 0.00 -3.05 -0.00 0.00 -1.51 0.00 0.00 37.83 33.27 3dec s LYS 814 CO 0.00 -0.35 1.35 0.21 -0.36 0.00 0.00 175.35 176.19 3dec s LYS 815 N -1.49 3.90 0.31 4.03 2.20 -1.26 -1.68 119.74 125.75 3dec s LYS 815 Ca 0.53 1.31 0.22 0.00 -0.36 0.00 0.00 55.97 57.67 3dec s LYS 815 Cb -0.42 -3.90 0.16 0.00 -1.51 0.00 0.00 37.83 32.15 3dec s LYS 815 CO 0.53 -1.14 1.33 0.28 -0.36 0.00 0.00 175.35 175.99 3dec h VAL 816 N 5.99 0.09 0.00 4.02 2.07 0.16 -3.44 116.25 125.14 3dec h VAL 816 Ca -0.27 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3dec h VAL 816 Cb 1.11 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3dec h VAL 816 CO 1.03 0.05 0.00 0.61 0.02 0.00 0.00 177.57 179.28 3dec n GLY 817 N 1.16 -0.57 3.54 2.17 0.00 -1.15 -0.97 105.19 109.37 3dec n GLY 817 Ca 0.02 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3dec n GLY 817 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dec s ASP 818 N 0.00 4.31 0.01 1.61 1.01 0.02 -1.62 116.67 122.02 3dec s ASP 818 Ca 0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 52.55 52.96 3dec s ASP 818 Cb 0.00 -0.91 -0.00 0.00 1.01 0.00 0.00 42.92 43.01 3dec s ASP 818 CO 0.00 0.28 0.12 0.00 0.21 0.00 0.00 175.17 175.78 3dec s ALA 819 N -0.94 -0.23 -0.16 5.23 0.00 -0.77 -1.35 121.76 123.54 3dec s ALA 819 Ca 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3dec s ALA 819 Cb -0.11 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3dec s ALA 819 CO 0.06 -0.23 -0.16 0.99 0.00 0.00 0.00 175.76 176.42 3dec s THR 820 N -1.69 1.75 -0.22 0.00 2.01 0.58 -0.41 115.64 117.66 3dec s THR 820 Ca -0.13 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 3dec s THR 820 Cb -0.06 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 3dec s THR 820 CO -0.00 0.48 0.00 -0.76 -0.69 0.00 0.00 174.62 173.65 3dec s LEU 821 N 1.41 3.13 -0.26 4.42 1.43 0.52 -1.00 118.68 128.34 3dec s LEU 821 Ca 0.05 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3dec s LEU 821 Cb -0.13 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3dec s LEU 821 CO -0.11 -0.01 -0.08 -0.70 0.23 0.00 0.00 176.35 175.67 3dec s GLU 822 N 1.42 2.51 -0.19 1.70 2.12 0.84 -1.30 118.70 125.81 3dec s GLU 822 Ca 0.05 -1.18 -0.05 0.00 0.36 0.00 0.00 54.97 54.15 3dec s GLU 822 Cb -0.15 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 3dec s GLU 822 CO -0.00 -0.50 -0.00 0.71 -0.54 0.00 0.00 175.26 174.93 3dec s TYR 823 N 1.21 3.06 -0.16 5.30 2.02 -0.53 -1.29 117.35 126.95 3dec s TYR 823 Ca -0.04 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3dec s TYR 823 Cb -0.18 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.38 3dec s TYR 823 CO -0.05 -0.15 0.04 0.99 -1.57 0.00 0.00 175.55 174.81 3dec s THR 824 N 0.78 0.34 -0.22 -0.71 2.01 -0.49 -1.01 115.64 116.34 3dec s THR 824 Ca 0.00 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 3dec s THR 824 Cb -0.14 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.58 3dec s THR 824 CO 0.02 -0.11 1.04 -0.22 -0.69 0.00 0.00 174.62 174.65 3dec s LEU 825 N 1.95 4.11 0.43 4.42 2.96 0.14 -0.28 118.68 132.41 3dec s LEU 825 Ca 0.01 1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 3dec s LEU 825 Cb -0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3dec s LEU 825 CO -0.07 -0.66 0.81 0.20 -1.32 0.00 0.00 176.35 175.31 3dec s ASN 826 N 1.19 6.51 0.64 3.68 0.01 0.67 -4.91 114.94 122.72 3dec s ASN 826 Ca 0.44 1.18 0.35 0.00 -0.71 0.00 0.00 52.86 54.12 3dec s ASN 826 Cb -0.15 -2.35 1.95 0.00 0.41 0.00 0.00 41.25 41.11 3dec s ASN 826 CO 0.07 -0.45 2.17 -0.74 -1.51 0.00 0.00 177.10 176.64 3dec h HIS 827 N 1.11 0.00 -0.24 2.20 2.76 -1.96 0.32 115.15 119.33 3dec h HIS 827 Ca -0.47 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 57.77 3dec h HIS 827 Cb 1.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 3dec h HIS 827 CO 0.61 0.00 0.25 -0.91 -1.30 0.00 0.00 177.93 176.58 3dec h ASN 828 N 0.00 0.00 0.00 3.26 2.35 -2.00 -3.47 115.58 115.72 3dec h ASN 828 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3dec h ASN 828 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3dec h ASN 828 CO -0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 3dec n GLY 829 N -1.43 1.20 3.85 2.83 0.00 0.11 -4.57 105.19 107.17 3dec n GLY 829 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dec n GLY 829 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dec s SER 830 N -3.02 6.79 -0.18 1.61 1.04 -1.26 -4.47 113.70 114.21 3dec s SER 830 Ca 0.00 1.28 -0.03 0.00 0.48 0.00 0.00 55.95 57.68 3dec s SER 830 Cb 0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 3dec s SER 830 CO 0.00 -0.19 -0.06 -0.22 0.98 0.00 0.00 173.24 173.75 3dec s LEU 831 N -2.90 2.95 -0.06 2.42 2.96 -0.02 -0.24 118.68 123.79 3dec s LEU 831 Ca 0.53 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 3dec s LEU 831 Cb -0.11 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3dec s LEU 831 CO 0.18 0.08 0.38 -0.75 -1.32 0.00 0.00 176.35 174.92 3dec s LYS 832 N 0.87 4.02 -0.20 1.98 2.20 0.61 -1.24 119.74 127.98 3dec s LYS 832 Ca -0.02 0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 3dec s LYS 832 Cb -0.15 -3.29 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3dec s LYS 832 CO 0.01 0.52 -0.08 0.08 -0.36 0.00 0.00 175.35 175.52 3dec s VAL 833 N -0.49 1.55 -0.11 4.02 1.01 0.18 -1.39 120.40 125.17 3dec s VAL 833 Ca 0.22 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3dec s VAL 833 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3dec s VAL 833 CO 0.10 0.09 -0.23 -1.58 0.00 0.00 0.00 175.10 173.49 3dec s GLN 834 N 1.42 3.01 -0.06 2.72 0.74 -0.41 -0.42 119.66 126.66 3dec s GLN 834 Ca -0.02 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.56 3dec s GLN 834 Cb -0.17 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.63 3dec s GLN 834 CO -0.08 0.12 -0.15 0.99 -0.55 0.00 0.00 175.29 175.63 3dec s THR 835 N 0.48 1.34 -0.12 -0.34 2.01 -0.22 -0.11 115.64 118.68 3dec s THR 835 Ca -0.16 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3dec s THR 835 Cb -0.17 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.16 3dec s THR 835 CO 0.06 0.40 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.31 3dec s THR 836 N 0.41 1.75 0.02 -0.82 2.01 -0.17 -1.05 115.64 117.79 3dec s THR 836 Ca -0.11 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.10 3dec s THR 836 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3dec s THR 836 CO 0.04 0.49 -0.04 0.12 -0.69 0.00 0.00 174.62 174.54 3dec s PHE 837 N 0.90 0.34 -0.13 4.92 5.36 -0.20 -0.31 117.98 128.87 3dec s PHE 837 Ca -0.07 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.43 3dec s PHE 837 Cb -0.15 -0.22 0.06 0.00 -0.34 0.00 0.00 43.02 42.37 3dec s PHE 837 CO -0.02 -0.13 0.27 -1.14 -1.46 0.00 0.00 175.22 172.75 3dec s GLN 838 N -1.20 0.15 0.35 10.12 0.74 -0.45 -0.93 119.66 128.44 3dec s GLN 838 Ca -0.11 0.75 -0.19 0.00 0.05 0.00 0.00 55.36 55.86 3dec s GLN 838 Cb -0.08 -0.03 -0.10 0.00 1.10 0.00 0.00 33.01 33.90 3dec s GLN 838 CO -0.00 -0.28 0.84 -1.25 -0.55 0.00 0.00 175.29 174.05 3dec s PRO 839 N 2.38 4.18 -0.99 1.67 0.04 -1.26 -0.80 135.00 140.23 3dec s PRO 839 Ca 0.01 0.94 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 3dec s PRO 839 Cb -0.12 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3dec s PRO 839 CO -0.09 0.12 1.82 0.34 0.04 0.00 0.00 177.00 179.23 3dec s ASP 840 N -2.09 5.54 0.00 6.66 -1.08 -0.14 -4.86 116.67 120.70 3dec s ASP 840 Ca 0.56 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 3dec s ASP 840 Cb -0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 3dec s ASP 840 CO 0.17 -2.41 0.81 0.35 0.52 0.00 0.00 175.17 174.61 3dec n THR 841 N 7.55 0.81 0.08 1.71 -2.24 -1.26 -2.10 114.28 118.84 3dec n THR 841 Ca 0.40 -0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 3dec n THR 841 Cb 0.48 -1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 3dec n THR 841 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dec n THR 842 N 1.57 0.00 -1.72 4.28 -2.24 -1.26 -4.69 114.28 110.23 3dec n THR 842 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3dec n THR 842 Cb 0.23 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3dec n THR 842 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 3dec n TRP 843 N -2.10 0.00 -3.71 4.78 4.27 -1.03 -5.01 117.44 114.64 3dec n TRP 843 Ca -0.03 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.20 3dec n TRP 843 Cb 0.48 0.08 -0.12 0.00 -1.36 0.00 0.00 31.31 30.39 3dec n TRP 843 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3dec s VAL 844 N 0.00 3.98 -0.88 -1.67 1.01 -0.89 -4.94 120.40 117.01 3dec s VAL 844 Ca 0.00 -1.06 0.19 0.00 0.00 0.00 0.00 61.98 61.11 3dec s VAL 844 Cb 0.00 -3.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.92 3dec s VAL 844 CO 0.00 -0.19 0.81 0.29 0.00 0.00 0.00 175.10 176.01 3dec n LYS 845 N 4.86 0.59 -3.56 2.72 4.76 -1.26 -4.37 118.16 121.89 3dec n LYS 845 Ca -0.12 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.15 3dec n LYS 845 Cb 0.45 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 3dec n LYS 845 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3dec s SER 846 N -2.89 -0.66 0.06 4.39 0.15 -1.26 -5.08 113.70 108.41 3dec s SER 846 Ca 0.07 0.93 0.02 0.00 0.70 0.00 0.00 55.95 57.68 3dec s SER 846 Cb 0.15 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.25 3dec s SER 846 CO 0.80 -0.47 -0.08 0.27 1.20 0.00 0.00 173.24 174.96 3dec s ILE 847 N -0.65 0.65 -0.16 6.45 -4.36 -1.26 -4.72 121.20 117.15 3dec s ILE 847 Ca -0.07 -1.37 0.18 0.00 -0.26 0.00 0.00 60.65 59.14 3dec s ILE 847 Cb -0.02 -0.99 -0.08 0.00 1.25 0.00 0.00 42.46 42.63 3dec s ILE 847 CO 0.06 -0.52 0.94 0.00 0.24 0.00 0.00 174.94 175.66 3dec h ALA 848 N 3.99 0.62 -2.00 2.27 0.00 -1.09 -3.39 119.26 119.66 3dec h ALA 848 Ca -0.36 -0.59 0.23 0.00 0.00 0.00 0.00 54.91 54.19 3dec h ALA 848 Cb 1.19 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3dec h ALA 848 CO 0.48 0.65 0.61 -0.98 0.00 0.00 0.00 179.25 180.01 3dec s ARG 849 N -3.04 0.86 -0.16 0.00 1.70 -1.09 -0.96 118.95 116.26 3dec s ARG 849 Ca -0.02 -0.46 -0.03 0.00 -0.47 0.00 0.00 55.73 54.76 3dec s ARG 849 Cb 0.09 0.30 0.05 0.00 -0.57 0.00 0.00 34.95 34.82 3dec s ARG 849 CO 0.80 -0.39 0.04 -1.17 -1.08 0.00 0.00 175.30 173.49 3dec s LEU 850 N -2.88 0.89 0.00 -1.89 2.96 0.28 -4.18 118.68 113.85 3dec s LEU 850 Ca 0.12 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 3dec s LEU 850 Cb 0.01 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.24 3dec s LEU 850 CO -0.01 -0.28 0.48 0.61 -1.32 0.00 0.00 176.35 175.83 3dec n GLY 851 N 5.11 0.38 3.70 7.98 0.00 -1.16 -0.39 105.19 120.81 3dec n GLY 851 Ca -0.08 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 3dec n GLY 851 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dec s LEU 852 N 0.00 3.45 0.02 0.99 1.43 0.84 -0.98 118.68 124.44 3dec s LEU 852 Ca 0.11 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3dec s LEU 852 Cb -0.00 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3dec s LEU 852 CO -0.01 0.10 -0.04 0.28 0.23 0.00 0.00 176.35 176.92 3dec s THR 853 N -1.64 0.18 -0.05 5.49 -1.32 0.24 -0.53 115.64 118.01 3dec s THR 853 Ca 0.28 -0.94 -0.30 0.00 -1.21 0.00 0.00 61.69 59.52 3dec s THR 853 Cb -0.10 -0.32 0.11 0.00 -1.51 0.00 0.00 72.50 70.68 3dec s THR 853 CO 0.20 -0.48 1.00 0.72 -2.21 0.00 0.00 174.62 173.84 3dec s PHE 854 N -1.45 -0.26 0.00 9.09 -0.12 -0.91 -2.29 117.98 122.04 3dec s PHE 854 Ca -0.15 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3dec s PHE 854 Cb -0.10 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 3dec s PHE 854 CO -0.01 -0.46 0.00 0.39 -0.05 0.00 0.00 175.22 175.09 3dec n GLU 855 N -0.23 1.64 -3.49 1.99 1.02 -1.26 -0.79 120.64 119.53 3dec n GLU 855 Ca -0.06 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.72 3dec n GLU 855 Cb 0.61 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.97 3dec n GLU 855 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dec s ASN 857 N -0.90 6.75 0.00 1.62 2.47 -1.26 0.12 114.94 123.74 3dec s ASN 857 Ca 0.00 0.92 0.22 0.00 0.42 0.00 0.00 52.86 54.42 3dec s ASN 857 Cb 0.00 -2.23 1.29 0.00 -1.45 0.00 0.00 41.25 38.86 3dec s ASN 857 CO 0.00 0.20 1.68 -0.90 -3.72 0.00 0.00 177.10 174.36 3dec n ASP 858 N 1.16 0.00 0.23 -4.21 5.68 0.42 -2.24 116.55 117.58 3dec n ASP 858 Ca -0.09 -0.70 0.16 0.00 -0.50 0.00 0.00 54.79 53.66 3dec n ASP 858 Cb 0.52 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.13 3dec n ASP 858 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3dec h THR 859 N 0.00 0.00 -0.41 2.12 1.35 -1.97 -3.31 112.91 110.69 3dec h THR 859 Ca 0.00 -0.41 -0.34 0.00 -0.55 0.00 0.00 66.41 65.11 3dec h THR 859 Cb 0.00 1.32 -0.10 0.00 -1.73 0.00 0.00 68.15 67.63 3dec h THR 859 CO 0.00 0.00 0.16 -1.22 -0.25 0.00 0.00 175.52 174.21 3dec n TYR 860 N -2.80 0.75 1.31 4.73 4.01 -0.95 -4.09 117.16 120.12 3dec n TYR 860 Ca 0.01 -1.77 0.13 0.00 -0.16 0.00 0.00 57.90 56.12 3dec n TYR 860 Cb 0.28 -1.57 0.47 0.00 -0.31 0.00 0.00 39.34 38.20 3dec n TYR 860 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dec n GLY 861 N 1.95 -0.72 3.50 2.72 0.00 -1.16 -4.05 105.19 107.44 3dec n GLY 861 Ca 0.47 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3dec n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dec s ASN 862 N -2.48 6.23 -0.18 1.61 -0.87 -0.49 -4.01 114.94 114.75 3dec s ASN 862 Ca 0.26 -0.61 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 3dec s ASN 862 Cb 0.20 -2.47 -0.05 0.00 -0.02 0.00 0.00 41.25 38.91 3dec s ASN 862 CO 0.50 -1.49 0.11 -0.69 -2.57 0.00 0.00 177.10 172.96 3dec s VAL 863 N 4.53 5.28 0.00 1.60 1.01 -0.69 -0.99 120.40 131.14 3dec s VAL 863 Ca 0.29 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3dec s VAL 863 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3dec s VAL 863 CO 0.15 0.48 -0.10 -0.89 0.00 0.00 0.00 175.10 174.73 3dec s THR 864 N 0.09 0.82 0.08 3.92 2.01 -0.20 -1.49 115.64 120.87 3dec s THR 864 Ca 0.08 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 3dec s THR 864 Cb -0.11 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.73 3dec s THR 864 CO -0.00 0.16 0.43 -0.72 -0.69 0.00 0.00 174.62 173.80 3dec s TYR 865 N -0.37 -0.28 -0.29 4.92 -0.85 -0.88 0.12 117.35 119.72 3dec s TYR 865 Ca 0.03 0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.68 3dec s TYR 865 Cb -0.05 0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3dec s TYR 865 CO -0.00 -0.64 0.04 -1.17 -1.52 0.00 0.00 175.55 172.26 3dec s LEU 866 N -2.30 3.75 0.00 -3.49 2.96 -0.30 -1.10 118.68 118.20 3dec s LEU 866 Ca -0.02 -0.86 -0.26 0.00 -0.22 0.00 0.00 54.13 52.76 3dec s LEU 866 Cb 0.00 -1.81 0.09 0.00 0.50 0.00 0.00 46.19 44.97 3dec s LEU 866 CO -0.06 -0.20 1.17 0.61 -1.32 0.00 0.00 176.35 176.55 3dec n GLY 867 N 4.78 0.19 3.71 7.98 0.00 -0.82 -0.11 105.19 120.93 3dec n GLY 867 Ca -0.15 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3dec n GLY 867 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dec s ARG 868 N -2.01 4.40 0.14 1.61 3.52 -0.44 -1.08 118.95 125.10 3dec s ARG 868 Ca 0.28 1.83 -0.08 0.00 -0.13 0.00 0.00 55.73 57.63 3dec s ARG 868 Cb -0.00 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3dec s ARG 868 CO -0.02 -0.31 0.39 0.41 -0.81 0.00 0.00 175.30 174.96 3dec n GLY 869 N 3.29 1.35 0.00 8.12 0.00 -0.75 -4.39 105.19 112.81 3dec n GLY 869 Ca 0.10 -1.09 0.15 0.00 0.00 0.00 0.00 46.02 45.18 3dec n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dec n GLU 870 N -0.27 0.55 -4.18 1.61 1.02 -1.26 -1.53 120.64 116.58 3dec n GLU 870 Ca -0.03 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 3dec n GLU 870 Cb 0.26 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 3dec n GLU 870 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 3dec s HIS 871 N -2.43 2.93 -0.39 -0.32 -3.43 -1.26 -5.07 115.29 105.32 3dec s HIS 871 Ca 0.32 -0.12 -0.36 0.00 -0.80 0.00 0.00 55.06 54.10 3dec s HIS 871 Cb 0.20 -1.39 -0.15 0.00 -1.43 0.00 0.00 32.58 29.81 3dec s HIS 871 CO 0.42 0.53 1.35 -1.91 -2.00 0.00 0.00 174.74 173.14 3dec n GLU 872 N -0.42 0.00 -4.15 -0.38 2.13 -1.26 -4.92 120.64 111.63 3dec n GLU 872 Ca -0.09 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.59 3dec n GLU 872 Cb 0.56 -1.18 -0.11 0.00 0.27 0.00 0.00 31.44 30.98 3dec n GLU 872 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dec s THR 873 N 2.90 0.86 0.20 6.31 -4.23 -0.88 -4.79 115.64 116.01 3dec s THR 873 Ca 0.85 -1.49 0.07 0.00 -1.18 0.00 0.00 61.69 59.93 3dec s THR 873 Cb -1.18 -1.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 3dec s THR 873 CO 0.61 -0.49 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.77 3dec s TYR 874 N -2.12 1.60 0.55 3.99 2.02 -0.66 -4.33 117.35 118.40 3dec s TYR 874 Ca 0.01 -0.65 0.25 0.00 -0.37 0.00 0.00 57.07 56.32 3dec s TYR 874 Cb -0.05 -0.78 1.44 0.00 -0.40 0.00 0.00 41.96 42.17 3dec s TYR 874 CO 0.00 0.26 2.02 -0.84 -1.57 0.00 0.00 175.55 175.42 3dec h ILE 875 N 2.59 0.68 -0.50 2.71 3.07 -1.85 0.53 117.51 124.74 3dec h ILE 875 Ca -0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.03 3dec h ILE 875 Cb 1.21 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3dec h ILE 875 CO 0.63 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.83 3dec n ASP 876 N -4.22 4.79 -2.84 2.16 5.75 -1.26 -4.52 116.55 116.42 3dec n ASP 876 Ca 0.07 -2.75 -0.11 0.00 -0.01 0.00 0.00 54.79 51.98 3dec n ASP 876 Cb 0.51 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 40.04 3dec n ASP 876 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3dec n ARG 877 N 0.47 0.77 -0.92 0.11 0.63 0.18 -0.85 116.66 117.06 3dec n ARG 877 Ca 0.24 -2.03 -0.02 0.00 -0.92 0.00 0.00 57.85 55.13 3dec n ARG 877 Cb 0.98 -1.41 -0.02 0.00 0.45 0.00 0.00 32.46 32.46 3dec n ARG 877 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3dec n ASN 878 N 1.56 -0.12 0.29 6.15 6.94 -1.03 -1.65 115.26 127.40 3dec n ASN 878 Ca 0.11 -1.76 0.18 0.00 -0.02 0.00 0.00 54.58 53.10 3dec n ASN 878 Cb 0.61 0.00 0.83 0.00 -2.36 0.00 0.00 39.78 38.87 3dec n ASN 878 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 3dec h GLN 879 N 0.24 0.00 -6.82 -3.83 1.08 -1.93 -3.45 115.11 100.39 3dec h GLN 879 Ca -0.26 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.49 3dec h GLN 879 Cb 1.43 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 28.90 3dec h GLN 879 CO -0.08 0.02 -0.04 -1.54 -0.95 0.00 0.00 178.83 176.24 3dec s SER 880 N -5.60 5.12 0.01 1.46 1.04 -1.26 -4.98 113.70 109.49 3dec s SER 880 Ca -0.01 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3dec s SER 880 Cb 0.10 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.66 3dec s SER 880 CO 0.51 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3dec n GLY 881 N -2.37 -1.54 3.00 7.32 0.00 -1.26 -4.85 105.19 105.49 3dec n GLY 881 Ca 0.10 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3dec n GLY 881 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dec s LYS 882 N -1.41 0.16 0.23 1.61 1.02 -0.58 -4.86 119.74 115.91 3dec s LYS 882 Ca 0.00 0.35 -0.31 0.00 0.02 0.00 0.00 55.97 56.03 3dec s LYS 882 Cb 0.00 -0.06 -0.12 0.00 -0.52 0.00 0.00 37.83 37.14 3dec s LYS 882 CO 0.00 -0.11 1.68 0.42 -0.92 0.00 0.00 175.35 176.42 3dec s ILE 883 N 0.76 2.06 0.02 2.17 1.01 -1.25 -1.80 121.20 124.17 3dec s ILE 883 Ca -0.06 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 3dec s ILE 883 Cb -0.07 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.42 3dec s ILE 883 CO -0.04 0.00 0.65 0.61 0.00 0.00 0.00 174.94 176.17 3dec n GLY 884 N 3.40 0.56 3.67 6.18 0.00 -0.24 -4.91 105.19 113.85 3dec n GLY 884 Ca 0.13 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 3dec n GLY 884 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dec s ILE 885 N -2.14 5.14 0.01 -0.61 1.01 -1.26 -1.94 121.20 121.40 3dec s ILE 885 Ca 0.15 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.74 3dec s ILE 885 Cb -0.01 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3dec s ILE 885 CO 0.01 0.22 -0.14 -0.31 0.00 0.00 0.00 174.94 174.72 3dec s TYR 886 N 1.40 1.21 -0.07 3.97 2.02 -0.26 -4.98 117.35 120.64 3dec s TYR 886 Ca 0.23 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3dec s TYR 886 Cb -0.15 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 3dec s TYR 886 CO 0.09 -0.00 -0.04 0.99 -1.57 0.00 0.00 175.55 175.02 3dec s THR 887 N -0.50 3.92 0.13 -0.71 2.01 -1.26 -2.08 115.64 117.15 3dec s THR 887 Ca 0.04 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 3dec s THR 887 Cb -0.06 -2.62 0.06 0.00 0.01 0.00 0.00 72.50 69.88 3dec s THR 887 CO 0.00 0.60 0.76 1.07 -0.69 0.00 0.00 174.62 176.35 3dec n THR 888 N 2.18 0.00 -4.11 -0.82 5.66 -0.56 -5.03 114.28 111.60 3dec n THR 888 Ca -0.18 -0.40 -0.08 0.00 -3.05 0.00 0.00 64.05 60.34 3dec n THR 888 Cb 0.53 0.56 -0.10 0.00 -1.55 0.00 0.00 70.33 69.77 3dec n THR 888 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dec s THR 889 N -2.19 0.35 0.52 1.09 -4.23 -1.26 -1.70 115.64 108.21 3dec s THR 889 Ca 0.17 -1.85 0.17 0.00 -1.18 0.00 0.00 61.69 59.00 3dec s THR 889 Cb -0.02 -1.57 0.28 0.00 1.34 0.00 0.00 72.50 72.53 3dec s THR 889 CO 0.04 -0.96 2.15 -0.65 -0.54 0.00 0.00 174.62 174.65 3dec h PRO 890 N 3.10 0.00 -0.25 3.99 0.11 -1.75 -1.24 132.00 135.96 3dec h PRO 890 Ca -0.34 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 3dec h PRO 890 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dec h PRO 890 CO 0.66 0.00 -0.41 0.93 -0.21 0.00 0.00 178.00 178.97 3dec h GLU 891 N 0.00 0.59 -1.76 1.05 4.39 -1.91 -2.93 114.58 114.01 3dec h GLU 891 Ca 0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3dec h GLU 891 Cb 0.04 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3dec h GLU 891 CO -0.00 0.90 0.00 1.17 -1.16 0.00 0.00 179.01 179.92 3dec n LYS 892 N -4.03 0.88 -0.56 2.33 4.81 -0.47 -4.87 118.16 116.26 3dec n LYS 892 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3dec n LYS 892 Cb 0.52 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 34.51 3dec n LYS 892 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3dec n PHE 894 N 1.29 0.00 -3.68 5.64 7.35 -1.11 -4.95 117.46 122.00 3dec n PHE 894 Ca 0.00 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.33 3dec n PHE 894 Cb 0.44 -0.19 -0.07 0.00 0.35 0.00 0.00 39.48 40.01 3dec n PHE 894 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3dec s HIS 895 N 0.00 3.50 -1.27 -5.13 5.65 -1.26 -5.02 115.29 111.76 3dec s HIS 895 Ca 0.00 0.53 -0.13 0.00 0.25 0.00 0.00 55.06 55.71 3dec s HIS 895 Cb 0.00 -2.18 0.14 0.00 -1.18 0.00 0.00 32.58 29.36 3dec s HIS 895 CO 0.00 0.41 1.71 0.66 -0.65 0.00 0.00 174.74 176.87 3dec n TYR 896 N 3.03 4.07 -1.78 3.88 4.01 -1.26 -4.89 117.16 124.22 3dec n TYR 896 Ca -0.15 -3.05 -0.35 0.00 -0.16 0.00 0.00 57.90 54.19 3dec n TYR 896 Cb 0.53 -2.20 0.05 0.00 -0.31 0.00 0.00 39.34 37.41 3dec n TYR 896 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3dec s TYR 897 N 1.67 2.34 0.13 -0.72 2.02 -1.26 -4.94 117.35 116.58 3dec s TYR 897 Ca 0.44 1.55 -0.23 0.00 -0.37 0.00 0.00 57.07 58.46 3dec s TYR 897 Cb 0.04 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 3dec s TYR 897 CO 0.00 -2.20 1.67 0.28 -1.57 0.00 0.00 175.55 173.73 3dec h VAL 898 N 0.34 0.59 -3.22 0.71 2.07 -1.97 -3.32 116.25 111.44 3dec h VAL 898 Ca -0.49 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.44 3dec h VAL 898 Cb 1.28 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3dec h VAL 898 CO 0.53 0.00 -0.32 -0.63 0.02 0.00 0.00 177.57 177.17 3dec s ILE 899 N -6.14 5.29 0.21 4.57 1.01 -1.26 -4.11 121.20 120.78 3dec s ILE 899 Ca -0.14 0.56 -0.31 0.00 0.00 0.00 0.00 60.65 60.76 3dec s ILE 899 Cb 0.10 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 3dec s ILE 899 CO 0.67 0.42 1.46 -2.84 0.00 0.00 0.00 174.94 174.66 3dec s PRO 900 N 0.22 4.26 0.18 2.79 0.02 -1.25 -4.97 135.00 136.25 3dec s PRO 900 Ca 0.17 2.28 -0.00 0.00 0.02 0.00 0.00 61.00 63.47 3dec s PRO 900 Cb -0.13 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3dec s PRO 900 CO 0.05 -0.46 0.23 0.00 -0.33 0.00 0.00 177.00 176.49 3dec n GLN 901 N 2.94 0.34 -1.73 5.54 10.64 -1.26 -4.81 117.38 129.04 3dec n GLN 901 Ca 0.09 -1.46 -0.40 0.00 -1.83 0.00 0.00 57.00 53.40 3dec n GLN 901 Cb 0.40 1.37 0.02 0.00 -0.86 0.00 0.00 30.24 31.17 3dec n GLN 901 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3dec n SER 902 N -1.95 2.74 -3.60 2.61 7.64 -1.07 -4.98 113.62 115.02 3dec n SER 902 Ca 0.01 1.06 -0.08 0.00 1.01 0.00 0.00 58.87 60.87 3dec n SER 902 Cb 0.30 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 3dec n SER 902 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3dec s THR 903 N -1.23 0.00 0.00 0.44 -1.32 -1.26 -4.86 115.64 107.41 3dec s THR 903 Ca 0.64 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 3dec s THR 903 Cb -0.46 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 3dec s THR 903 CO 0.55 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3dec n GLY 904 N -0.38 0.74 3.76 6.08 0.00 -1.26 -4.91 105.19 109.22 3dec n GLY 904 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3dec n GLY 904 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dec s ASN 905 N -2.59 6.50 -0.08 1.61 2.47 -1.26 -4.51 114.94 117.08 3dec s ASN 905 Ca 0.00 2.87 0.01 0.00 0.42 0.00 0.00 52.86 56.16 3dec s ASN 905 Cb 0.00 -2.64 -0.03 0.00 -1.45 0.00 0.00 41.25 37.13 3dec s ASN 905 CO 0.00 -0.79 -0.11 -0.13 -3.72 0.00 0.00 177.10 172.36 3dec s ARG 906 N -1.17 2.81 0.40 0.43 1.81 -0.14 -2.08 118.95 121.02 3dec s ARG 906 Ca 0.57 -0.62 0.08 0.00 -1.72 0.00 0.00 55.73 54.03 3dec s ARG 906 Cb -0.45 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.47 3dec s ARG 906 CO 0.52 0.55 0.20 0.95 -0.68 0.00 0.00 175.30 176.84 3dec s THR 907 N -0.53 2.45 -1.37 0.02 -4.23 -1.26 -2.47 115.64 108.25 3dec s THR 907 Ca 0.07 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3dec s THR 907 Cb -0.12 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.76 3dec s THR 907 CO 0.02 -0.03 0.82 0.47 -0.54 0.00 0.00 174.62 175.36 3dec n ASP 908 N -1.26 -2.49 -4.69 3.99 8.00 -1.19 -1.33 116.55 117.59 3dec n ASP 908 Ca -0.01 -0.79 -0.39 0.00 0.71 0.00 0.00 54.79 54.31 3dec n ASP 908 Cb 0.64 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.58 3dec n ASP 908 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dec s VAL 909 N -3.54 5.08 -0.11 2.53 1.01 0.35 -3.75 120.40 121.97 3dec s VAL 909 Ca 0.22 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.15 3dec s VAL 909 Cb -0.11 -3.92 -0.27 0.00 0.00 0.00 0.00 36.38 32.09 3dec s VAL 909 CO 0.81 0.20 0.61 0.03 0.00 0.00 0.00 175.10 176.75 3dec h ARG 910 N 7.13 0.18 -3.06 2.72 2.47 -0.82 -1.02 114.38 121.98 3dec h ARG 910 Ca -0.36 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 57.99 3dec h ARG 910 Cb 1.16 0.11 -0.15 0.00 -1.65 0.00 0.00 29.97 29.45 3dec h ARG 910 CO 0.76 1.15 -0.03 1.67 0.56 0.00 0.00 179.97 184.07 3dec s TRP 911 N -2.41 -0.31 -0.00 3.04 1.48 -1.20 -4.04 118.94 115.50 3dec s TRP 911 Ca -0.20 0.20 0.00 0.00 -1.06 0.00 0.00 56.10 55.05 3dec s TRP 911 Cb 0.03 0.29 0.00 0.00 -1.16 0.00 0.00 33.47 32.62 3dec s TRP 911 CO 0.74 -0.65 -0.01 0.54 -4.06 0.00 0.00 176.95 173.51 3dec s VAL 912 N -2.94 0.08 -0.05 -0.66 0.11 -0.55 -1.15 120.40 115.24 3dec s VAL 912 Ca -0.02 -0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3dec s VAL 912 Cb 0.00 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.75 3dec s VAL 912 CO -0.06 0.03 -0.23 -0.75 -3.33 0.00 0.00 175.10 170.77 3dec s LYS 913 N 0.05 2.43 -0.14 1.54 2.20 0.33 -0.26 119.74 125.89 3dec s LYS 913 Ca -0.00 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 3dec s LYS 913 Cb -0.01 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 3dec s LYS 913 CO -0.00 0.48 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.82 3dec s LEU 914 N -0.41 1.70 0.04 5.43 1.02 -0.67 -1.03 118.68 124.77 3dec s LEU 914 Ca 0.04 -0.48 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 3dec s LEU 914 Cb -0.12 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.90 3dec s LEU 914 CO 0.01 -0.04 0.04 0.00 0.02 0.00 0.00 176.35 176.38 3dec s ALA 915 N 1.36 0.12 0.88 4.21 0.00 -0.16 -1.71 121.76 126.47 3dec s ALA 915 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3dec s ALA 915 Cb -0.13 0.24 0.18 0.00 0.00 0.00 0.00 23.12 23.40 3dec s ALA 915 CO -0.08 -0.30 1.22 0.16 0.00 0.00 0.00 175.76 176.76 3dec s ASP 916 N -2.18 3.51 0.43 0.00 1.47 0.11 -1.40 116.67 118.61 3dec s ASP 916 Ca -0.04 0.06 0.19 0.00 1.18 0.00 0.00 52.55 53.93 3dec s ASP 916 Cb -0.01 -0.21 0.97 0.00 -0.34 0.00 0.00 42.92 43.33 3dec s ASP 916 CO -0.05 -2.45 1.90 0.44 0.68 0.00 0.00 175.17 175.68 3dec h ASP 917 N -1.28 0.00 0.48 2.11 5.19 -1.89 -2.14 116.42 118.89 3dec h ASP 917 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3dec h ASP 917 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3dec h ASP 917 CO 0.39 0.27 0.00 0.77 -3.12 0.00 0.00 179.24 177.55 3dec h SER 918 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.46 113.55 119.24 3dec h SER 918 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dec h SER 918 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3dec h SER 918 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3dec n GLY 919 N -0.56 1.95 3.74 -0.77 0.00 -0.80 -5.05 105.19 103.69 3dec n GLY 919 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3dec n GLY 919 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dec n LYS 920 N -1.17 2.25 0.00 1.61 5.02 -1.26 -4.17 118.16 120.43 3dec n LYS 920 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3dec n LYS 920 Cb 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 3dec n LYS 920 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dec n GLY 921 N 0.65 -0.60 3.46 0.72 0.00 -1.03 0.08 105.19 108.47 3dec n GLY 921 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 3dec n GLY 921 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dec s TRP 923 N -1.67 2.79 -0.07 0.00 -0.00 -0.50 -1.66 118.94 117.83 3dec s TRP 923 Ca -0.09 -0.78 0.03 0.00 -0.00 0.00 0.00 56.10 55.26 3dec s TRP 923 Cb -0.01 -1.85 0.01 0.00 -0.00 0.00 0.00 33.47 31.62 3dec s TRP 923 CO 0.05 -0.30 -0.16 0.42 -0.00 0.00 0.00 176.95 176.96 3dec s ILE 924 N 0.49 1.41 0.26 5.86 1.01 0.64 -0.99 121.20 129.88 3dec s ILE 924 Ca -0.10 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3dec s ILE 924 Cb -0.16 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3dec s ILE 924 CO 0.04 0.41 0.04 -1.83 0.00 0.00 0.00 174.94 173.61 3dec s GLU 925 N 0.40 1.42 0.00 2.79 -1.05 -0.97 -1.48 118.70 119.80 3dec s GLU 925 Ca -0.12 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 52.95 3dec s GLU 925 Cb -0.15 -0.53 0.00 0.00 -0.44 0.00 0.00 34.13 33.01 3dec s GLU 925 CO 0.04 -0.18 0.00 0.45 0.95 0.00 0.00 175.26 176.52 3dec n SER 926 N -0.48 1.30 -0.04 0.83 2.88 -1.26 -0.81 113.62 116.03 3dec n SER 926 Ca -0.03 -0.22 0.08 0.00 -1.33 0.00 0.00 58.87 57.37 3dec n SER 926 Cb 0.65 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.02 3dec n SER 926 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dec n ASP 927 N -0.38 0.92 -3.52 -3.46 5.68 -1.26 -4.93 116.55 109.60 3dec n ASP 927 Ca 0.00 -0.96 -0.13 0.00 -0.50 0.00 0.00 54.79 53.20 3dec n ASP 927 Cb 0.00 0.95 -0.05 0.00 -1.14 0.00 0.00 41.12 40.88 3dec n ASP 927 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dec s SER 928 N -2.59 0.59 0.11 -1.12 1.04 -1.26 -5.12 113.70 105.34 3dec s SER 928 Ca 0.07 -1.34 -0.36 0.00 0.48 0.00 0.00 55.95 54.80 3dec s SER 928 Cb 0.13 0.62 -0.16 0.00 0.10 0.00 0.00 66.02 66.71 3dec s SER 928 CO 0.69 -1.22 1.36 -2.65 0.98 0.00 0.00 173.24 172.40 3dec n PRO 929 N -0.49 1.31 -2.83 4.02 -0.02 -1.26 -4.91 135.00 130.83 3dec n PRO 929 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3dec n PRO 929 Cb 0.62 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 3dec n PRO 929 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3dec n PHE 930 N 2.56 0.29 -4.44 6.00 1.16 -0.39 -4.76 117.46 117.88 3dec n PHE 930 Ca 0.18 -0.81 -0.26 0.00 -1.87 0.00 0.00 57.45 54.69 3dec n PHE 930 Cb 0.21 -0.08 -0.13 0.00 -1.61 0.00 0.00 39.48 37.87 3dec n PHE 930 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3dec s GLN 931 N -2.56 1.31 0.11 3.97 -0.21 -0.05 -0.49 119.66 121.74 3dec s GLN 931 Ca 0.02 -1.17 -0.09 0.00 0.02 0.00 0.00 55.36 54.13 3dec s GLN 931 Cb 0.00 -1.61 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 3dec s GLN 931 CO 0.01 0.39 0.23 -0.59 -2.12 0.00 0.00 175.29 173.21 3dec s PHE 932 N -1.04 0.18 0.17 0.91 -0.12 -1.03 0.68 117.98 117.74 3dec s PHE 932 Ca 0.09 -0.59 -0.09 0.00 -0.05 0.00 0.00 56.93 56.29 3dec s PHE 932 Cb -0.10 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.25 3dec s PHE 932 CO 0.04 -0.60 0.30 -1.54 -0.05 0.00 0.00 175.22 173.38 3dec s SER 933 N -2.88 0.02 -0.28 1.98 1.04 -0.93 -0.96 113.70 111.69 3dec s SER 933 Ca 0.08 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 3dec s SER 933 Cb 0.04 0.45 0.17 0.00 0.10 0.00 0.00 66.02 66.78 3dec s SER 933 CO -0.08 -0.92 0.54 0.00 0.98 0.00 0.00 173.24 173.76 3dec s ALA 934 N -3.98 -1.93 0.17 5.32 0.00 -1.25 -0.43 121.76 119.66 3dec s ALA 934 Ca 0.18 1.65 0.07 0.00 0.00 0.00 0.00 51.96 53.86 3dec s ALA 934 Cb 0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3dec s ALA 934 CO 0.01 -1.27 -0.13 -0.51 0.00 0.00 0.00 175.76 173.86 3dec s LEU 935 N 2.78 2.52 0.13 0.00 1.43 -0.43 -4.29 118.68 120.81 3dec s LEU 935 Ca 0.17 -0.97 0.25 0.00 -1.03 0.00 0.00 54.13 52.55 3dec s LEU 935 Cb -0.15 -0.57 0.95 0.00 0.03 0.00 0.00 46.19 46.45 3dec s LEU 935 CO -0.19 -0.20 1.78 -2.65 0.23 0.00 0.00 176.35 175.32 3dec n PRO 936 N -0.13 0.14 -4.41 1.29 -0.02 -1.26 -0.85 135.00 129.77 3dec n PRO 936 Ca -0.10 0.18 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 3dec n PRO 936 Cb 0.60 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.26 3dec n PRO 936 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3dec s PHE 937 N -3.09 1.57 1.07 6.00 0.08 -1.26 -4.49 117.98 117.86 3dec s PHE 937 Ca 0.10 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 3dec s PHE 937 Cb 0.14 -0.91 0.23 0.00 -0.57 0.00 0.00 43.02 41.91 3dec s PHE 937 CO 0.51 0.10 1.17 -1.54 -0.10 0.00 0.00 175.22 175.36 3dec s SER 938 N -1.44 2.12 0.04 1.36 1.04 -1.26 -4.62 113.70 110.93 3dec s SER 938 Ca 0.04 0.65 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 3dec s SER 938 Cb -0.09 -0.95 -0.35 0.00 0.10 0.00 0.00 66.02 64.74 3dec s SER 938 CO 0.02 -3.39 1.02 0.44 0.98 0.00 0.00 173.24 172.32 3dec h ASP 939 N -2.08 0.81 -0.07 7.02 3.32 -1.99 -2.52 116.42 120.91 3dec h ASP 939 Ca -0.47 -0.86 0.04 0.00 0.02 0.00 0.00 57.03 55.76 3dec h ASP 939 Cb 1.29 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3dec h ASP 939 CO 0.43 1.67 -0.24 -0.07 -1.72 0.00 0.00 179.24 179.31 3dec h LEU 940 N 0.15 -0.71 -0.90 1.55 3.38 -1.94 0.99 115.31 117.82 3dec h LEU 940 Ca -0.24 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dec h LEU 940 Cb 2.14 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 43.15 3dec h LEU 940 CO 0.27 -0.29 0.56 -0.07 0.09 0.00 0.00 178.44 178.99 3dec h LEU 941 N -0.33 1.08 -0.46 1.67 4.07 -1.94 -1.50 115.31 117.90 3dec h LEU 941 Ca 0.08 -0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 3dec h LEU 941 Cb 0.45 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3dec h LEU 941 CO -0.26 0.82 -0.20 0.25 -1.08 0.00 0.00 178.44 177.96 3dec h LEU 942 N 1.24 0.97 -1.05 1.67 5.85 -1.17 0.03 115.31 122.85 3dec h LEU 942 Ca 0.33 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3dec h LEU 942 Cb -0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3dec h LEU 942 CO -0.06 1.15 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.10 3dec h GLU 943 N 0.78 0.66 0.14 1.25 4.57 -0.42 -3.24 114.58 118.32 3dec h GLU 943 Ca 0.10 -0.16 -0.29 0.00 -1.18 0.00 0.00 59.36 57.83 3dec h GLU 943 Cb 0.78 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3dec h GLU 943 CO 0.06 0.69 -1.26 -0.22 -1.18 0.00 0.00 179.01 177.10 3dec h LYS 944 N 0.63 0.38 -6.71 1.92 3.64 -0.86 -3.46 116.57 112.11 3dec h LYS 944 Ca 0.13 -0.60 -0.56 0.00 -1.27 0.00 0.00 60.65 58.35 3dec h LYS 944 Cb 0.41 0.22 0.09 0.00 -0.41 0.00 0.00 32.23 32.53 3dec h LYS 944 CO 0.02 1.27 0.73 0.00 -2.27 0.00 0.00 179.45 179.20 3dec n ALA 945 N -2.59 1.83 0.37 5.00 0.00 -0.04 -4.91 120.51 120.18 3dec n ALA 945 Ca -0.11 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.77 3dec n ALA 945 Cb 1.02 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 3dec n ALA 945 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dec n LEU 946 N 1.98 0.37 -3.91 0.00 4.77 -1.26 -4.46 117.00 114.48 3dec n LEU 946 Ca 0.09 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 3dec n LEU 946 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3dec n LEU 946 CO 0.63 0.09 -0.23 -1.00 -1.33 0.00 0.00 177.39 175.56 3dec s HIS 947 N -2.11 0.14 0.27 -1.77 3.76 -1.26 -4.61 115.29 109.71 3dec s HIS 947 Ca 0.02 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.59 3dec s HIS 947 Cb 0.07 -0.11 0.52 0.00 1.11 0.00 0.00 32.58 34.17 3dec s HIS 947 CO 0.41 -0.29 1.82 0.82 -0.85 0.00 0.00 174.74 176.65 3dec h ILE 948 N 4.17 0.89 0.00 0.60 2.04 -1.87 -0.95 117.51 122.38 3dec h ILE 948 Ca -0.32 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3dec h ILE 948 Cb 1.19 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3dec h ILE 948 CO 0.44 0.16 0.00 -0.46 0.00 0.00 0.00 178.15 178.29 3dec n ASN 949 N -4.68 0.00 0.16 1.72 6.94 -1.26 -1.96 115.26 116.17 3dec n ASN 949 Ca 0.18 0.03 0.13 0.00 -0.02 0.00 0.00 54.58 54.89 3dec n ASN 949 Cb 0.35 -0.28 0.49 0.00 -2.36 0.00 0.00 39.78 37.98 3dec n ASN 949 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3dec h ASP 950 N 0.00 0.00 -3.17 0.53 3.32 -1.56 -3.45 116.42 112.09 3dec h ASP 950 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3dec h ASP 950 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3dec h ASP 950 CO 0.00 0.00 0.59 -0.76 -1.72 0.00 0.00 179.24 177.35 3dec s LEU 951 N -4.92 4.35 0.08 1.55 1.43 -0.83 -4.94 118.68 115.40 3dec s LEU 951 Ca 0.05 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.18 3dec s LEU 951 Cb 0.10 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 3dec s LEU 951 CO 0.48 -0.49 -0.19 -0.70 0.23 0.00 0.00 176.35 175.68 3dec s GLU 952 N 1.34 1.08 0.23 1.70 2.12 -1.26 -5.14 118.70 118.77 3dec s GLU 952 Ca 0.58 -1.07 -0.09 0.00 0.36 0.00 0.00 54.97 54.75 3dec s GLU 952 Cb -0.28 -1.26 -0.07 0.00 0.26 0.00 0.00 34.13 32.78 3dec s GLU 952 CO 0.28 0.30 0.54 1.03 -0.54 0.00 0.00 175.26 176.86 3dec s ARG 953 N -1.73 3.79 -0.06 4.30 0.52 -1.26 -4.74 118.95 119.77 3dec s ARG 953 Ca 0.05 0.25 0.09 0.00 -0.52 0.00 0.00 55.73 55.60 3dec s ARG 953 Cb -0.10 -2.66 0.14 0.00 0.52 0.00 0.00 34.95 32.86 3dec s ARG 953 CO 0.03 0.32 1.06 0.27 0.02 0.00 0.00 175.30 177.01 3dec n ASN 954 N -0.15 2.07 0.00 0.23 0.23 -1.26 -4.96 115.26 111.42 3dec n ASN 954 Ca 0.00 -2.50 0.00 0.00 -0.53 0.00 0.00 54.58 51.55 3dec n ASN 954 Cb 0.52 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 3dec n ASN 954 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dec n GLY 955 N -0.93 1.24 3.23 4.83 0.00 -1.26 -5.04 105.19 107.27 3dec n GLY 955 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3dec n GLY 955 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dec s ARG 956 N -0.47 1.00 0.06 1.61 0.52 -1.26 -0.44 118.95 119.97 3dec s ARG 956 Ca 0.00 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3dec s ARG 956 Cb 0.00 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 3dec s ARG 956 CO 0.00 0.15 0.20 0.96 0.02 0.00 0.00 175.30 176.63 3dec s ILE 957 N -2.30 5.34 -0.27 1.52 -4.36 -1.26 -4.58 121.20 115.29 3dec s ILE 957 Ca 0.09 -0.41 -0.10 0.00 -0.26 0.00 0.00 60.65 59.98 3dec s ILE 957 Cb -0.04 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.03 3dec s ILE 957 CO 0.02 0.14 0.15 -0.89 0.24 0.00 0.00 174.94 174.61 3dec s THR 958 N -1.50 4.96 -0.13 8.37 2.01 -0.03 -4.28 115.64 125.05 3dec s THR 958 Ca 0.34 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 3dec s THR 958 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3dec s THR 958 CO 0.27 0.28 0.10 -0.69 -0.69 0.00 0.00 174.62 173.89 3dec s VAL 959 N 1.71 5.14 -0.13 3.82 1.01 0.03 -1.32 120.40 130.66 3dec s VAL 959 Ca 0.07 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3dec s VAL 959 Cb -0.16 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3dec s VAL 959 CO 0.08 0.57 -0.21 -1.00 0.00 0.00 0.00 175.10 174.55 3dec s HIS 960 N -0.64 2.51 -0.28 5.22 3.76 0.43 -2.14 115.29 124.16 3dec s HIS 960 Ca 0.12 -1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 53.79 3dec s HIS 960 Cb -0.12 -1.71 0.03 0.00 1.11 0.00 0.00 32.58 31.89 3dec s HIS 960 CO 0.02 -0.55 -0.01 -0.51 -0.85 0.00 0.00 174.74 172.85 3dec s LEU 961 N 0.76 3.58 -0.17 0.89 1.43 0.31 -2.18 118.68 123.31 3dec s LEU 961 Ca -0.09 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.02 3dec s LEU 961 Cb -0.16 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3dec s LEU 961 CO 0.00 -0.19 -0.06 -1.81 0.23 0.00 0.00 176.35 174.52 3dec s ASP 962 N 1.35 4.46 0.12 2.29 1.01 0.21 -0.11 116.67 126.00 3dec s ASP 962 Ca -0.01 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 52.94 3dec s ASP 962 Cb -0.18 -1.73 -0.11 0.00 1.01 0.00 0.00 42.92 41.91 3dec s ASP 962 CO -0.02 0.12 1.29 0.00 0.21 0.00 0.00 175.17 176.77 3dec h ALA 963 N 7.08 0.33 -3.42 5.23 0.00 -0.99 -0.10 119.26 127.40 3dec h ALA 963 Ca -0.32 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 53.68 3dec h ALA 963 Cb 1.19 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.71 3dec h ALA 963 CO 0.60 0.80 -0.59 0.15 0.00 0.00 0.00 179.25 180.21 3dec s LYS 964 N -3.27 0.15 -0.03 0.00 -0.14 -0.89 -4.76 119.74 110.80 3dec s LYS 964 Ca -0.06 0.09 -0.06 0.00 -1.36 0.00 0.00 55.97 54.58 3dec s LYS 964 Cb 0.09 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.31 3dec s LYS 964 CO 0.87 -0.02 0.14 -1.14 -0.76 0.00 0.00 175.35 174.44 3dec s GLN 965 N -0.07 0.33 0.82 1.68 0.74 -1.26 0.99 119.66 122.89 3dec s GLN 965 Ca -0.01 -0.12 -0.11 0.00 0.05 0.00 0.00 55.36 55.17 3dec s GLN 965 Cb -0.01 0.14 0.09 0.00 1.10 0.00 0.00 33.01 34.33 3dec s GLN 965 CO 0.00 -0.07 1.12 0.00 -0.55 0.00 0.00 175.29 175.80 3dec s ALA 966 N -0.70 1.93 1.20 1.58 0.00 -0.13 -4.74 121.76 120.90 3dec s ALA 966 Ca -0.08 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.20 3dec s ALA 966 Cb -0.05 -3.36 0.22 0.00 0.00 0.00 0.00 23.12 19.93 3dec s ALA 966 CO 0.01 -2.17 0.75 0.41 0.00 0.00 0.00 175.76 174.76 3dec n GLY 967 N -0.47 -2.86 0.02 0.00 0.00 -1.08 -4.61 105.19 96.19 3dec n GLY 967 Ca 0.11 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.69 3dec n GLY 967 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dec n VAL 968 N -4.29 0.18 -4.76 1.61 0.24 -1.26 -4.93 118.33 105.13 3dec n VAL 968 Ca 0.11 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3dec n VAL 968 Cb 0.42 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 3dec n VAL 968 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dec n GLY 969 N 2.26 0.98 2.74 7.63 0.00 -1.26 -4.56 105.19 112.98 3dec n GLY 969 Ca -0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 3dec n GLY 969 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dec n THR 970 N 0.00 0.75 0.38 2.61 -2.24 -0.45 -1.44 114.28 113.89 3dec n THR 970 Ca 0.00 -2.35 0.14 0.00 -2.27 0.00 0.00 64.05 59.56 3dec n THR 970 Cb 0.00 1.03 0.45 0.00 -2.10 0.00 0.00 70.33 69.71 3dec n THR 970 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dec h ALA 971 N 2.30 1.00 -0.93 6.98 0.00 -1.73 -2.75 119.26 124.13 3dec h ALA 971 Ca -0.21 0.00 0.26 0.00 0.00 0.00 0.00 54.91 54.96 3dec h ALA 971 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3dec h ALA 971 CO 0.15 0.00 0.66 1.79 0.00 0.00 0.00 179.25 181.85 3dec h THR 972 N 0.00 0.56 -1.61 0.00 1.35 -1.84 -3.36 112.91 108.00 3dec h THR 972 Ca 0.00 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.91 3dec h THR 972 Cb 0.64 0.46 -0.21 0.00 -1.73 0.00 0.00 68.15 67.32 3dec h THR 972 CO 0.00 0.02 -0.19 0.00 -0.25 0.00 0.00 175.52 175.10 3dec n GLY 974 N 5.44 -1.25 3.74 0.00 0.00 -1.25 -4.27 105.19 107.60 3dec n GLY 974 Ca -0.08 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 3dec n GLY 974 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dec s PRO 975 N 0.00 4.16 0.78 1.61 0.02 -1.26 -4.39 135.00 135.93 3dec s PRO 975 Ca 0.00 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 3dec s PRO 975 Cb 0.00 -3.06 0.18 0.00 0.02 0.00 0.00 34.50 31.64 3dec s PRO 975 CO 0.00 -0.60 1.01 0.41 -0.33 0.00 0.00 177.00 177.49 3dec n GLY 976 N 2.57 -1.59 3.64 0.52 0.00 -1.26 -1.33 105.19 107.73 3dec n GLY 976 Ca 0.09 -1.67 -0.51 0.00 0.00 0.00 0.00 46.02 43.93 3dec n GLY 976 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dec n VAL 977 N -3.54 0.11 -1.68 1.61 0.31 -1.26 -4.49 118.33 109.38 3dec n VAL 977 Ca 0.13 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 64.10 3dec n VAL 977 Cb 0.45 -1.15 0.06 0.00 -0.91 0.00 0.00 33.84 32.29 3dec n VAL 977 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dec s LEU 978 N 1.47 3.39 0.44 7.52 1.43 -1.26 -4.87 118.68 126.80 3dec s LEU 978 Ca 0.87 2.15 0.12 0.00 -1.03 0.00 0.00 54.13 56.23 3dec s LEU 978 Cb -0.89 -4.57 1.00 0.00 0.03 0.00 0.00 46.19 41.76 3dec s LEU 978 CO 0.49 -1.83 2.03 -0.65 0.23 0.00 0.00 176.35 176.61 3dec h PRO 979 N 0.01 0.40 0.00 1.29 0.11 -1.99 -0.39 132.00 131.43 3dec h PRO 979 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dec h PRO 979 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dec h PRO 979 CO 0.53 0.27 0.00 -2.30 -0.21 0.00 0.00 178.00 176.28 3dec n PRO 980 N -4.48 0.32 0.00 1.05 -0.02 -1.26 -2.86 135.00 127.75 3dec n PRO 980 Ca 0.06 0.07 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3dec n PRO 980 Cb 0.24 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.23 3dec n PRO 980 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dec n TYR 981 N -1.11 0.00 -1.77 6.00 4.01 -0.16 -5.01 117.16 119.12 3dec n TYR 981 Ca 0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.50 3dec n TYR 981 Cb 0.07 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 3dec n TYR 981 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3dec s LEU 982 N -0.40 3.30 -0.22 7.72 1.43 -1.14 -2.65 118.68 126.72 3dec s LEU 982 Ca 0.04 1.73 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 3dec s LEU 982 Cb 0.03 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 3dec s LEU 982 CO 0.05 -1.36 0.60 -0.69 0.23 0.00 0.00 176.35 175.18 3dec s VAL 983 N -2.75 5.03 0.42 -1.59 1.01 -1.26 -4.94 120.40 116.32 3dec s VAL 983 Ca 0.61 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 63.42 3dec s VAL 983 Cb -0.15 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 3dec s VAL 983 CO 0.46 0.09 1.42 -0.81 0.00 0.00 0.00 175.10 176.27 3dec n PRO 984 N 5.26 2.31 -0.36 2.72 -0.04 -1.26 -4.62 135.00 139.00 3dec n PRO 984 Ca -0.02 0.82 0.09 0.00 -0.04 0.00 0.00 63.50 64.35 3dec n PRO 984 Cb 0.50 -2.60 0.28 0.00 -0.04 0.00 0.00 33.50 31.64 3dec n PRO 984 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dec n LEU 985 N 0.07 3.81 -4.80 1.53 4.77 -1.26 -4.98 117.00 116.13 3dec n LEU 985 Ca 0.04 -2.12 -0.30 0.00 -0.03 0.00 0.00 56.01 53.60 3dec n LEU 985 Cb 0.40 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3dec n LEU 985 CO 0.61 0.87 0.71 -0.83 -1.33 0.00 0.00 177.39 177.42 3dec s GLY 986 N -1.02 1.62 0.20 -0.72 0.00 -1.26 -4.38 107.32 101.76 3dec s GLY 986 Ca 0.42 -0.21 -0.32 0.00 0.00 0.00 0.00 44.72 44.61 3dec s GLY 986 CO 0.26 0.22 1.37 1.17 0.00 0.00 0.00 173.10 176.12 3dec n LYS 987 N -3.45 1.79 -4.00 2.90 4.81 -1.26 -4.74 118.16 114.21 3dec n LYS 987 Ca 0.07 0.64 -0.09 0.00 -0.87 0.00 0.00 58.31 58.06 3dec n LYS 987 Cb 0.56 -2.28 -0.11 0.00 0.02 0.00 0.00 35.03 33.23 3dec n LYS 987 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3dec s GLN 988 N -0.14 0.40 -0.05 1.64 -0.21 -0.11 -5.00 119.66 116.19 3dec s GLN 988 Ca 0.72 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 55.35 3dec s GLN 988 Cb -0.72 0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.45 3dec s GLN 988 CO 0.48 -0.07 -0.06 0.99 -2.12 0.00 0.00 175.29 174.51 3dec s THR 989 N -2.10 0.67 0.03 -0.19 2.01 -1.26 -1.03 115.64 113.78 3dec s THR 989 Ca -0.10 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 3dec s THR 989 Cb -0.05 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 3dec s THR 989 CO -0.03 0.26 0.05 0.72 -0.69 0.00 0.00 174.62 174.92 3dec s PHE 990 N 0.92 0.26 0.01 4.92 -0.12 -0.21 -4.97 117.98 118.79 3dec s PHE 990 Ca -0.11 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.19 3dec s PHE 990 Cb -0.15 -0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.04 3dec s PHE 990 CO 0.00 -0.33 -0.05 0.95 -0.05 0.00 0.00 175.22 175.75 3dec s THR 991 N -2.53 0.38 -0.00 -4.49 -4.23 -1.26 -1.05 115.64 102.45 3dec s THR 991 Ca -0.06 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3dec s THR 991 Cb -0.02 -0.39 -0.01 0.00 1.34 0.00 0.00 72.50 73.42 3dec s THR 991 CO -0.04 -0.12 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.40 3dec s PHE 992 N -0.64 1.37 -0.22 3.99 0.08 0.44 -4.12 117.98 118.89 3dec s PHE 992 Ca -0.04 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 3dec s PHE 992 Cb -0.05 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3dec s PHE 992 CO -0.00 -0.01 -0.12 0.99 -0.10 0.00 0.00 175.22 175.98 3dec s THR 993 N -0.43 2.60 -0.27 0.64 2.01 0.01 -0.65 115.64 119.55 3dec s THR 993 Ca 0.05 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 3dec s THR 993 Cb -0.06 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3dec s THR 993 CO -0.00 0.36 0.40 -0.63 -0.69 0.00 0.00 174.62 174.06 3dec s ILE 994 N 1.33 5.15 -0.44 1.82 1.01 -0.37 -2.30 121.20 127.40 3dec s ILE 994 Ca 0.03 0.63 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 3dec s ILE 994 Cb -0.15 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.70 3dec s ILE 994 CO -0.08 0.14 0.29 -0.31 0.00 0.00 0.00 174.94 174.98 3dec s TYR 995 N 2.12 3.43 0.35 3.97 2.02 -0.16 -0.84 117.35 128.23 3dec s TYR 995 Ca 0.16 -1.87 -0.27 0.00 -0.37 0.00 0.00 57.07 54.72 3dec s TYR 995 Cb -0.16 -3.27 -0.12 0.00 -0.40 0.00 0.00 41.96 38.01 3dec s TYR 995 CO 0.10 -0.95 1.16 -2.30 -1.57 0.00 0.00 175.55 171.99 3dec n PRO 996 N 4.85 1.76 -4.27 -1.71 -0.02 -1.26 -1.41 135.00 132.94 3dec n PRO 996 Ca -0.08 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 3dec n PRO 996 Cb 0.41 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 3dec n PRO 996 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dec s VAL 997 N -1.12 0.94 0.00 -1.45 -7.23 -0.33 -4.61 120.40 106.59 3dec s VAL 997 Ca 0.58 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3dec s VAL 997 Cb -0.60 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3dec s VAL 997 CO 0.60 -0.52 0.01 0.29 -0.31 0.00 0.00 175.10 175.17