#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2k s ILE 13 N 0.00 2.40 0.13 1.69 -4.36 -1.26 -5.08 121.20 114.73 3g2k s ILE 13 Ca 0.00 -1.73 -0.24 0.00 -0.26 0.00 0.00 60.65 58.43 3g2k s ILE 13 Cb 0.00 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 3g2k s ILE 13 CO 0.00 0.07 1.64 -1.28 0.24 0.00 0.00 174.94 175.61 3g2k h SER 14 N 3.78 -0.70 0.27 4.36 0.87 -1.96 -2.88 113.55 117.30 3g2k h SER 14 Ca -0.50 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3g2k h SER 14 Cb 1.17 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 3g2k h SER 14 CO 0.41 -0.28 0.00 1.33 -0.53 0.00 0.00 176.83 177.76 3g2k n VAL 15 N -5.36 1.11 0.96 2.23 0.24 -1.26 -2.20 118.33 114.05 3g2k n VAL 15 Ca -0.03 0.50 0.07 0.00 -2.04 0.00 0.00 64.34 62.84 3g2k n VAL 15 Cb 0.27 -1.46 0.20 0.00 -1.47 0.00 0.00 33.84 31.39 3g2k n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3g2k n ARG 16 N -2.07 1.79 0.00 7.34 1.74 -1.09 -5.04 116.66 119.33 3g2k n ARG 16 Ca 0.00 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.86 3g2k n ARG 16 Cb 0.10 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3g2k n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g2k n GLY 17 N 1.07 -2.90 3.82 -0.13 0.00 -0.94 -1.00 105.19 105.12 3g2k n GLY 17 Ca 0.13 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 3g2k n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2k s LEU 18 N 0.00 4.46 -0.87 0.99 2.01 -1.26 -4.64 118.68 119.36 3g2k s LEU 18 Ca 0.00 1.19 0.00 0.00 0.01 0.00 0.00 54.13 55.33 3g2k s LEU 18 Cb 0.00 -3.02 0.25 0.00 0.01 0.00 0.00 46.19 43.43 3g2k s LEU 18 CO 0.00 0.21 0.96 0.00 1.01 0.00 0.00 176.35 178.53 3g2k n ALA 19 N 1.39 4.24 -1.78 4.21 0.00 -1.26 -3.89 120.51 123.42 3g2k n ALA 19 Ca -0.09 -4.71 -0.36 0.00 0.00 0.00 0.00 53.44 48.28 3g2k n ALA 19 Cb 0.51 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3g2k n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g2k s GLY 20 N -1.28 2.73 0.23 0.00 0.00 -1.26 -4.89 107.32 102.86 3g2k s GLY 20 Ca 0.32 0.80 -0.06 0.00 0.00 0.00 0.00 44.72 45.78 3g2k s GLY 20 CO -0.03 1.23 1.75 -2.08 0.00 0.00 0.00 173.10 173.96 3g2k h VAL 21 N 1.97 0.74 -0.21 1.40 2.07 -1.99 -0.87 116.25 119.36 3g2k h VAL 21 Ca -0.49 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3g2k h VAL 21 Cb 1.23 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3g2k h VAL 21 CO 0.61 0.09 0.06 -0.08 0.02 0.00 0.00 177.57 178.27 3g2k h GLU 22 N 0.49 0.34 -0.18 1.57 4.57 -2.00 -2.42 114.58 116.95 3g2k h GLU 22 Ca 0.38 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 3g2k h GLU 22 Cb 0.51 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3g2k h GLU 22 CO -0.34 0.45 0.07 -0.91 -1.18 0.00 0.00 179.01 177.09 3g2k h ASN 23 N 0.16 0.25 -0.77 1.04 4.21 -1.83 -1.91 115.58 116.73 3g2k h ASN 23 Ca 0.07 -0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.42 3g2k h ASN 23 Cb 0.26 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 3g2k h ASN 23 CO -0.00 0.35 0.51 0.58 -1.29 0.00 0.00 177.43 177.58 3g2k h VAL 24 N 0.13 1.18 -0.28 2.81 2.07 -1.20 0.53 116.25 121.48 3g2k h VAL 24 Ca 0.06 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3g2k h VAL 24 Cb 0.18 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3g2k h VAL 24 CO -0.00 0.19 0.10 0.74 0.02 0.00 0.00 177.57 178.61 3g2k h THR 25 N 1.02 1.19 -0.59 2.57 2.02 -1.36 -1.97 112.91 115.79 3g2k h THR 25 Ca 0.29 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 3g2k h THR 25 Cb -0.09 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3g2k h THR 25 CO -0.07 0.20 0.11 -0.08 0.37 0.00 0.00 175.52 176.04 3g2k h GLU 26 N 0.30 0.96 -0.60 6.66 4.57 -1.06 -2.65 114.58 122.76 3g2k h GLU 26 Ca 0.09 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3g2k h GLU 26 Cb 0.21 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3g2k h GLU 26 CO -0.01 0.90 0.37 -0.07 -1.18 0.00 0.00 179.01 179.03 3g2k h LEU 27 N 0.86 0.70 -0.86 1.64 3.38 -0.82 -2.28 115.31 117.94 3g2k h LEU 27 Ca 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3g2k h LEU 27 Cb 0.40 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3g2k h LEU 27 CO 0.01 0.54 0.52 0.11 0.09 0.00 0.00 178.44 179.71 3g2k h LYS 28 N 0.81 1.16 -0.02 1.13 1.57 -1.21 -0.75 116.57 119.26 3g2k h LYS 28 Ca 0.22 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.70 3g2k h LYS 28 Cb -0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3g2k h LYS 28 CO -0.04 0.81 -0.84 1.57 -0.57 0.00 0.00 179.45 180.38 3g2k h LYS 29 N 1.18 0.31 0.00 3.15 2.10 -1.33 -2.24 116.57 119.73 3g2k h LYS 29 Ca 0.31 -0.30 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 3g2k h LYS 29 Cb -0.06 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 3g2k h LYS 29 CO -0.06 0.98 -0.70 -0.91 -2.00 0.00 0.00 179.45 176.76 3g2k h ASN 30 N 0.19 0.00 -0.29 7.07 2.35 -1.27 -0.42 115.58 123.21 3g2k h ASN 30 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3g2k h ASN 30 Cb 1.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 3g2k h ASN 30 CO 0.14 0.70 0.14 0.15 -1.65 0.00 0.00 177.43 176.91 3g2k h PHE 31 N 0.00 0.42 -0.29 1.19 3.57 -1.08 -1.94 116.94 118.80 3g2k h PHE 31 Ca -0.01 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3g2k h PHE 31 Cb 1.25 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3g2k h PHE 31 CO 0.00 0.38 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.32 3g2k h ASN 32 N 0.34 0.56 -0.16 0.41 2.35 -1.24 -2.01 115.58 115.82 3g2k h ASN 32 Ca 0.10 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3g2k h ASN 32 Cb 0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3g2k h ASN 32 CO -0.01 0.79 0.09 -0.09 -1.65 0.00 0.00 177.43 176.56 3g2k h ARG 33 N 0.50 0.22 -0.56 0.81 2.43 -0.99 -2.72 114.38 114.07 3g2k h ARG 33 Ca 0.07 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3g2k h ARG 33 Cb 0.67 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3g2k h ARG 33 CO 0.05 0.21 -0.03 0.45 -1.51 0.00 0.00 179.97 179.14 3g2k h HIS 34 N 0.18 1.07 -0.99 2.20 3.86 -1.22 0.23 115.15 120.48 3g2k h HIS 34 Ca 0.06 -0.18 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 3g2k h HIS 34 Cb 0.05 -0.28 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 3g2k h HIS 34 CO -0.05 0.97 0.65 1.25 0.86 0.00 0.00 177.93 181.61 3g2k h LEU 35 N 0.90 1.08 0.00 2.43 5.85 -1.33 0.14 115.31 124.37 3g2k h LEU 35 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3g2k h LEU 35 Cb 0.56 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3g2k h LEU 35 CO 0.03 0.74 -0.09 -0.74 -0.34 0.00 0.00 178.44 178.04 3g2k h HIS 36 N 1.25 0.00 0.14 1.25 2.76 -1.15 -1.76 115.15 117.64 3g2k h HIS 36 Ca 0.39 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.28 3g2k h HIS 36 Cb 0.00 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.97 3g2k h HIS 36 CO -0.00 0.09 -1.31 0.74 -1.30 0.00 0.00 177.93 176.14 3g2k h PHE 37 N -1.00 0.55 0.08 5.26 0.04 -0.59 -2.51 116.94 118.76 3g2k h PHE 37 Ca -0.00 -0.40 -0.33 0.00 2.80 0.00 0.00 57.97 60.03 3g2k h PHE 37 Cb 0.15 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 3g2k h PHE 37 CO -0.01 1.33 -1.85 2.41 -0.60 0.00 0.00 178.31 179.59 3g2k n THR 38 N -3.54 1.69 0.57 -1.55 -1.04 0.27 -4.34 114.28 106.34 3g2k n THR 38 Ca -0.11 -0.47 0.11 0.00 -2.04 0.00 0.00 64.05 61.55 3g2k n THR 38 Cb 1.04 -1.81 0.05 0.00 -1.82 0.00 0.00 70.33 67.79 3g2k n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3g2k n LEU 39 N -3.76 0.63 -3.54 -4.42 4.77 -0.01 -4.99 117.00 105.68 3g2k n LEU 39 Ca -0.34 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.43 3g2k n LEU 39 Cb 0.94 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.97 3g2k n LEU 39 CO 0.34 0.03 -0.04 0.52 -1.33 0.00 0.00 177.39 176.91 3g2k n VAL 40 N -1.98 -6.67 -4.13 4.08 0.31 -0.95 -4.99 118.33 103.99 3g2k n VAL 40 Ca 0.02 -0.99 -0.09 0.00 -0.01 0.00 0.00 64.34 63.27 3g2k n VAL 40 Cb 0.44 -4.96 -0.10 0.00 -0.91 0.00 0.00 33.84 28.31 3g2k n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3g2k s LYS 41 N -5.45 0.79 0.31 5.55 -0.14 -0.68 -5.03 119.74 115.09 3g2k s LYS 41 Ca 0.36 -1.34 0.09 0.00 -1.36 0.00 0.00 55.97 53.73 3g2k s LYS 41 Cb -0.10 0.12 -0.06 0.00 -1.68 0.00 0.00 37.83 36.11 3g2k s LYS 41 CO 0.81 -0.15 -0.10 0.16 -0.76 0.00 0.00 175.35 175.31 3g2k s ASP 42 N -3.00 3.45 0.49 2.83 -4.77 -1.26 -3.87 116.67 110.53 3g2k s ASP 42 Ca 0.15 -1.16 0.23 0.00 -3.30 0.00 0.00 52.55 48.46 3g2k s ASP 42 Cb 0.07 -0.29 1.25 0.00 -1.09 0.00 0.00 42.92 42.86 3g2k s ASP 42 CO -0.04 -0.20 1.66 0.03 0.70 0.00 0.00 175.17 177.32 3g2k h ARG 43 N 2.14 0.00 0.00 2.11 2.47 -1.96 -1.60 114.38 117.53 3g2k h ARG 43 Ca -0.41 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.26 3g2k h ARG 43 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 3g2k h ARG 43 CO 0.68 0.00 -0.26 -0.91 0.56 0.00 0.00 179.97 180.04 3g2k h ASN 44 N 0.00 0.00 -0.00 7.04 2.35 -2.05 -3.34 115.58 119.58 3g2k h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g2k h ASN 44 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3g2k h ASN 44 CO 0.00 0.22 -0.04 1.33 -1.65 0.00 0.00 177.43 177.29 3g2k n VAL 45 N -3.14 0.00 -2.15 2.81 0.24 -0.63 -5.05 118.33 110.41 3g2k n VAL 45 Ca 0.03 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 3g2k n VAL 45 Cb 0.62 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.98 3g2k n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g2k s ALA 46 N -0.78 3.54 0.39 2.33 0.00 -1.04 -4.99 121.76 121.21 3g2k s ALA 46 Ca 0.01 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.24 3g2k s ALA 46 Cb 0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3g2k s ALA 46 CO 0.04 -0.60 0.52 0.95 0.00 0.00 0.00 175.76 176.67 3g2k s THR 47 N -0.37 3.32 0.35 0.00 -4.23 -1.26 -4.98 115.64 108.48 3g2k s THR 47 Ca 0.54 -1.03 0.11 0.00 -1.18 0.00 0.00 61.69 60.14 3g2k s THR 47 Cb -0.39 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.66 3g2k s THR 47 CO 0.44 -0.05 1.79 -0.65 -0.54 0.00 0.00 174.62 175.61 3g2k h PRO 48 N 0.76 0.58 -0.77 3.99 0.11 -1.99 -1.38 132.00 133.29 3g2k h PRO 48 Ca -0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3g2k h PRO 48 Cb 1.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3g2k h PRO 48 CO 0.48 0.39 0.42 -0.09 -0.21 0.00 0.00 178.00 178.99 3g2k h ARG 49 N 0.60 1.07 -0.89 1.05 2.43 -1.96 -0.39 114.38 116.29 3g2k h ARG 49 Ca 0.56 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 3g2k h ARG 49 Cb 1.09 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3g2k h ARG 49 CO -0.31 0.79 0.49 -0.44 -1.51 0.00 0.00 179.97 178.99 3g2k h ASP 50 N 1.07 1.12 -0.49 -3.80 3.45 -1.66 -1.82 116.42 114.29 3g2k h ASP 50 Ca 0.27 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.56 3g2k h ASP 50 Cb 0.03 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.50 3g2k h ASP 50 CO -0.04 0.90 0.01 1.88 -1.57 0.00 0.00 179.24 180.42 3g2k h TYR 51 N 1.25 0.92 -0.18 4.55 0.05 -0.76 -1.31 116.97 121.49 3g2k h TYR 51 Ca 0.31 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.99 3g2k h TYR 51 Cb 0.03 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 37.47 3g2k h TYR 51 CO 0.01 0.87 -0.21 -0.92 -1.05 0.00 0.00 178.16 176.86 3g2k h TYR 52 N 0.71 -0.54 -0.57 4.88 3.20 -0.82 -1.42 116.97 122.41 3g2k h TYR 52 Ca 0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3g2k h TYR 52 Cb 0.49 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 3g2k h TYR 52 CO 0.04 -0.28 0.21 0.74 -1.64 0.00 0.00 178.16 177.22 3g2k h PHE 53 N -0.23 0.83 -0.60 -3.82 -1.00 -1.13 0.95 116.94 111.95 3g2k h PHE 53 Ca 0.12 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 3g2k h PHE 53 Cb 0.41 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 3g2k h PHE 53 CO -0.34 0.65 0.24 0.00 -1.61 0.00 0.00 178.31 177.26 3g2k h ALA 54 N 1.42 0.77 -0.07 2.45 0.00 -0.99 -0.57 119.26 122.27 3g2k h ALA 54 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3g2k h ALA 54 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3g2k h ALA 54 CO -0.02 0.38 0.03 1.25 0.00 0.00 0.00 179.25 180.89 3g2k h LEU 55 N 0.82 0.10 -0.46 0.00 5.85 -0.64 -1.78 115.31 119.21 3g2k h LEU 55 Ca 0.20 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3g2k h LEU 55 Cb 0.19 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3g2k h LEU 55 CO -0.02 0.27 0.16 0.00 -0.34 0.00 0.00 178.44 178.51 3g2k h ALA 56 N 0.84 0.56 -0.59 1.25 0.00 -0.67 -0.75 119.26 119.91 3g2k h ALA 56 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3g2k h ALA 56 Cb 0.20 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3g2k h ALA 56 CO -0.00 -0.23 0.20 0.45 0.00 0.00 0.00 179.25 179.67 3g2k h HIS 57 N 0.33 0.88 -0.48 0.00 3.86 -1.08 0.25 115.15 118.91 3g2k h HIS 57 Ca 0.22 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3g2k h HIS 57 Cb 0.22 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 3g2k h HIS 57 CO -0.16 0.70 0.18 1.15 0.86 0.00 0.00 177.93 180.66 3g2k h THR 58 N 0.85 1.21 -0.29 2.45 2.02 -0.39 -2.24 112.91 116.53 3g2k h THR 58 Ca 0.20 -0.68 -0.14 0.00 0.77 0.00 0.00 66.41 66.55 3g2k h THR 58 Cb 0.22 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3g2k h THR 58 CO -0.01 0.25 -0.39 0.58 0.37 0.00 0.00 175.52 176.32 3g2k h VAL 59 N 0.63 1.30 -0.99 3.16 2.07 -0.96 -3.13 116.25 118.31 3g2k h VAL 59 Ca 0.16 -1.57 0.12 0.00 0.82 0.00 0.00 66.70 66.22 3g2k h VAL 59 Cb 0.22 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3g2k h VAL 59 CO -0.01 0.51 0.62 -0.09 0.02 0.00 0.00 177.57 178.62 3g2k h ARG 60 N 0.52 0.96 -0.89 1.57 2.43 -0.85 -1.28 114.38 116.84 3g2k h ARG 60 Ca 0.03 -0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3g2k h ARG 60 Cb 0.98 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 3g2k h ARG 60 CO 0.09 0.64 0.57 -0.44 -1.51 0.00 0.00 179.97 179.32 3g2k h ASP 61 N 0.99 0.70 0.73 -3.80 3.45 -1.34 -0.87 116.42 116.27 3g2k h ASP 61 Ca 0.49 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.99 3g2k h ASP 61 Cb 0.47 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3g2k h ASP 61 CO -0.26 0.37 -0.00 0.45 -1.57 0.00 0.00 179.24 178.22 3g2k h HIS 62 N 0.75 0.00 0.09 4.55 3.86 -1.32 -2.96 115.15 120.11 3g2k h HIS 62 Ca 0.44 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.40 3g2k h HIS 62 Cb 0.64 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 3g2k h HIS 62 CO -0.00 0.00 -1.15 -0.07 0.86 0.00 0.00 177.93 177.57 3g2k h LEU 63 N 0.00 0.33 -0.47 2.43 3.38 -1.17 -3.41 115.31 116.40 3g2k h LEU 63 Ca -0.00 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3g2k h LEU 63 Cb 0.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3g2k h LEU 63 CO 0.00 1.25 0.24 -0.37 0.09 0.00 0.00 178.44 179.65 3g2k h VAL 64 N 0.07 1.18 -0.30 1.22 -1.51 -1.48 0.15 116.25 115.58 3g2k h VAL 64 Ca -0.10 -0.50 0.01 0.00 -1.23 0.00 0.00 66.70 64.88 3g2k h VAL 64 Cb 1.88 0.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.67 3g2k h VAL 64 CO 0.18 0.20 0.18 1.23 -1.23 0.00 0.00 177.57 178.13 3g2k h GLY 65 N 0.62 0.42 1.16 5.19 0.00 -1.78 -0.12 103.07 108.55 3g2k h GLY 65 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3g2k h GLY 65 CO -0.02 0.13 0.28 3.21 0.00 0.00 0.00 176.54 180.14 3g2k h ARG 66 N 0.38 1.07 -0.21 4.80 3.08 -1.68 -1.68 114.38 120.13 3g2k h ARG 66 Ca 0.11 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3g2k h ARG 66 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3g2k h ARG 66 CO -0.04 0.88 0.05 2.35 -1.07 0.00 0.00 179.97 182.14 3g2k h TRP 67 N 1.05 0.36 -0.64 3.04 7.01 -0.15 0.68 115.95 127.29 3g2k h TRP 67 Ca 0.24 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 3g2k h TRP 67 Cb 0.21 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 3g2k h TRP 67 CO 0.02 0.45 0.07 0.82 -2.79 0.00 0.00 178.44 177.01 3g2k h ILE 68 N 0.16 1.26 -0.00 2.65 2.04 -0.97 -2.64 117.51 120.01 3g2k h ILE 68 Ca 0.07 -1.07 -0.19 0.00 1.00 0.00 0.00 64.86 64.66 3g2k h ILE 68 Cb 0.27 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3g2k h ILE 68 CO 0.00 0.40 -0.86 0.08 0.00 0.00 0.00 178.15 177.77 3g2k h ARG 69 N 1.00 0.20 0.00 2.37 0.11 -1.18 -1.15 114.38 115.73 3g2k h ARG 69 Ca 0.19 -0.21 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 3g2k h ARG 69 Cb 0.48 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.61 3g2k h ARG 69 CO 0.02 0.94 -0.00 1.15 0.10 0.00 0.00 179.97 182.18 3g2k h THR 70 N 0.11 1.07 -0.15 0.08 2.02 -0.84 0.02 112.91 115.23 3g2k h THR 70 Ca -0.04 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 3g2k h THR 70 Cb 1.48 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3g2k h THR 70 CO 0.13 0.06 -0.26 1.56 0.37 0.00 0.00 175.52 177.37 3g2k h GLN 71 N -0.09 0.27 -0.32 6.66 1.08 -1.45 -1.55 115.11 119.71 3g2k h GLN 71 Ca -0.00 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3g2k h GLN 71 Cb 0.09 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3g2k h GLN 71 CO 0.00 0.52 0.13 0.37 -0.95 0.00 0.00 178.83 178.90 3g2k h GLN 72 N 0.25 0.49 -0.55 1.46 5.75 -1.09 -2.83 115.11 118.57 3g2k h GLN 72 Ca 0.04 -0.09 0.06 0.00 -0.15 0.00 0.00 58.65 58.51 3g2k h GLN 72 Cb 0.60 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 3g2k h GLN 72 CO 0.04 0.49 0.27 1.25 -2.65 0.00 0.00 178.83 178.24 3g2k h HIS 73 N 0.37 0.49 -0.40 3.99 2.76 -0.35 -2.15 115.15 119.87 3g2k h HIS 73 Ca 0.11 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3g2k h HIS 73 Cb 0.19 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3g2k h HIS 73 CO -0.00 0.22 0.10 1.88 -1.30 0.00 0.00 177.93 178.83 3g2k h TYR 74 N 0.51 0.59 -0.51 5.26 0.05 -1.28 -0.94 116.97 120.66 3g2k h TYR 74 Ca 0.25 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.87 3g2k h TYR 74 Cb 0.19 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3g2k h TYR 74 CO -0.11 0.51 -0.16 -0.92 -1.05 0.00 0.00 178.16 176.43 3g2k h TYR 75 N 0.57 1.14 -0.04 4.88 3.20 -1.15 -0.16 116.97 125.41 3g2k h TYR 75 Ca 0.13 -0.26 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 3g2k h TYR 75 Cb 0.21 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.21 3g2k h TYR 75 CO 0.01 1.08 -0.38 0.93 -1.64 0.00 0.00 178.16 178.16 3g2k h GLU 76 N 0.87 0.33 0.00 1.82 4.39 -1.10 -3.31 114.58 117.58 3g2k h GLU 76 Ca 0.12 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3g2k h GLU 76 Cb 0.74 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3g2k h GLU 76 CO 0.06 0.97 -0.09 0.87 -1.16 0.00 0.00 179.01 179.65 3g2k h LYS 77 N -0.19 0.00 -6.76 2.33 1.57 -1.25 -3.48 116.57 108.78 3g2k h LYS 77 Ca -0.04 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.19 3g2k h LYS 77 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3g2k h LYS 77 CO 0.08 0.00 -0.98 -3.47 -0.57 0.00 0.00 179.45 174.51 3g2k n ASP 78 N -2.75 -3.18 -4.85 0.86 2.03 -0.07 -4.96 116.55 103.64 3g2k n ASP 78 Ca 0.04 -1.21 -0.29 0.00 0.52 0.00 0.00 54.79 53.86 3g2k n ASP 78 Cb 0.49 -2.18 0.10 0.00 -0.72 0.00 0.00 41.12 38.82 3g2k n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3g2k s PRO 79 N -7.02 1.72 0.21 -0.67 0.04 -1.26 -4.99 135.00 123.04 3g2k s PRO 79 Ca 0.36 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.31 3g2k s PRO 79 Cb -0.18 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3g2k s PRO 79 CO 0.94 -1.79 1.61 0.21 0.04 0.00 0.00 177.00 178.01 3g2k s LYS 80 N -5.44 4.17 -0.07 4.56 2.20 -1.26 -4.97 119.74 118.94 3g2k s LYS 80 Ca 0.62 2.47 -0.11 0.00 -0.36 0.00 0.00 55.97 58.60 3g2k s LYS 80 Cb -0.13 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 3g2k s LYS 80 CO 0.51 -0.63 0.26 1.03 -0.36 0.00 0.00 175.35 176.16 3g2k s ARG 81 N 0.63 3.69 -0.23 4.03 3.00 0.20 -4.55 118.95 125.72 3g2k s ARG 81 Ca 0.69 0.11 -0.07 0.00 0.00 0.00 0.00 55.73 56.46 3g2k s ARG 81 Cb -0.46 -3.21 -0.03 0.00 0.00 0.00 0.00 34.95 31.24 3g2k s ARG 81 CO 0.36 0.72 0.06 0.42 0.00 0.00 0.00 175.30 176.85 3g2k s ILE 82 N -0.98 4.29 -0.32 1.52 -1.09 -0.41 -0.94 121.20 123.28 3g2k s ILE 82 Ca 0.19 -0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 3g2k s ILE 82 Cb -0.14 -2.99 0.04 0.00 -1.58 0.00 0.00 42.46 37.79 3g2k s ILE 82 CO 0.08 0.37 0.07 -0.31 -1.23 0.00 0.00 174.94 173.92 3g2k s TYR 83 N 1.35 3.23 -0.49 3.97 2.02 0.11 -0.71 117.35 126.84 3g2k s TYR 83 Ca 0.05 -1.48 -0.17 0.00 -0.37 0.00 0.00 57.07 55.10 3g2k s TYR 83 Cb -0.15 -2.22 0.06 0.00 -0.40 0.00 0.00 41.96 39.26 3g2k s TYR 83 CO 0.03 -0.73 0.50 -0.47 -1.57 0.00 0.00 175.55 173.32 3g2k s TYR 84 N 1.38 3.15 -0.22 2.71 5.04 -0.37 -0.64 117.35 128.40 3g2k s TYR 84 Ca -0.02 -0.72 -0.15 0.00 -2.44 0.00 0.00 57.07 53.75 3g2k s TYR 84 Cb -0.19 -3.32 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 3g2k s TYR 84 CO 0.01 -0.90 0.36 -0.51 -1.34 0.00 0.00 175.55 173.18 3g2k s LEU 85 N 2.13 4.12 -0.07 6.97 1.02 -0.47 -1.65 118.68 130.72 3g2k s LEU 85 Ca 0.10 0.41 -0.12 0.00 0.02 0.00 0.00 54.13 54.53 3g2k s LEU 85 Cb -0.21 -2.44 0.02 0.00 0.02 0.00 0.00 46.19 43.58 3g2k s LEU 85 CO 0.09 -0.09 0.30 -0.55 0.02 0.00 0.00 176.35 176.12 3g2k s SER 86 N 1.19 -0.24 0.00 2.29 0.15 -0.89 -1.81 113.70 114.39 3g2k s SER 86 Ca 0.17 0.34 0.29 0.00 0.70 0.00 0.00 55.95 57.44 3g2k s SER 86 Cb -0.15 0.47 1.23 0.00 -1.71 0.00 0.00 66.02 65.86 3g2k s SER 86 CO 0.08 -0.27 1.86 0.18 1.20 0.00 0.00 173.24 176.29 3g2k n LEU 87 N 2.13 0.50 -3.88 3.45 4.32 -1.26 -4.08 117.00 118.17 3g2k n LEU 87 Ca -0.17 -0.01 -0.16 0.00 -0.02 0.00 0.00 56.01 55.64 3g2k n LEU 87 Cb 0.57 -0.17 -0.15 0.00 -1.62 0.00 0.00 43.42 42.04 3g2k n LEU 87 CO 0.19 0.09 -0.39 -1.61 -1.22 0.00 0.00 177.39 174.45 3g2k s GLU 88 N -2.45 0.37 -0.28 3.23 2.02 -1.26 -4.69 118.70 115.63 3g2k s GLU 88 Ca 0.29 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 3g2k s GLU 88 Cb 0.20 -0.43 0.10 0.00 0.10 0.00 0.00 34.13 34.09 3g2k s GLU 88 CO 0.47 -0.02 0.12 -0.06 0.02 0.00 0.00 175.26 175.78 3g2k s PHE 89 N 0.47 0.69 -1.13 1.61 0.40 -0.46 -4.64 117.98 114.92 3g2k s PHE 89 Ca -0.05 -1.07 -0.15 0.00 -0.60 0.00 0.00 56.93 55.07 3g2k s PHE 89 Cb -0.08 -1.10 0.17 0.00 0.51 0.00 0.00 43.02 42.52 3g2k s PHE 89 CO -0.01 -0.82 1.33 -0.47 0.70 0.00 0.00 175.22 175.96 3g2k s TYR 90 N 1.97 3.44 0.07 0.36 6.14 -0.22 -3.60 117.35 125.51 3g2k s TYR 90 Ca 0.08 -1.97 0.09 0.00 0.64 0.00 0.00 57.07 55.91 3g2k s TYR 90 Cb -0.16 -4.28 -0.20 0.00 0.42 0.00 0.00 41.96 37.74 3g2k s TYR 90 CO -0.31 -1.39 1.16 0.52 0.64 0.00 0.00 175.55 176.16 3g2k h MET 91 N 7.57 0.00 0.00 4.97 2.86 -1.79 -3.41 114.93 125.13 3g2k h MET 91 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3g2k h MET 91 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3g2k h MET 91 CO 1.19 0.85 0.00 0.41 1.06 0.00 0.00 176.91 180.42 3g2k n GLY 92 N 1.38 0.44 3.84 8.32 0.00 -1.01 -4.79 105.19 113.38 3g2k n GLY 92 Ca -0.03 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3g2k n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g2k s ARG 93 N 0.00 3.95 -0.03 1.61 0.52 -1.26 -1.80 118.95 121.93 3g2k s ARG 93 Ca 0.00 0.93 0.06 0.00 -0.52 0.00 0.00 55.73 56.20 3g2k s ARG 93 Cb 0.00 -2.15 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 3g2k s ARG 93 CO 0.00 -0.25 0.09 2.41 0.02 0.00 0.00 175.30 177.58 3g2k n THR 94 N -1.53 0.20 0.50 0.02 -1.04 -1.26 -4.67 114.28 106.50 3g2k n THR 94 Ca 0.06 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.05 61.66 3g2k n THR 94 Cb 0.54 -0.20 -0.10 0.00 -1.82 0.00 0.00 70.33 68.76 3g2k n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g2k h LEU 95 N 0.00 -1.06 -0.76 -4.42 5.85 -1.96 -1.11 115.31 111.85 3g2k h LEU 95 Ca -0.08 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3g2k h LEU 95 Cb 0.81 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3g2k h LEU 95 CO 0.00 -0.76 0.34 -0.61 -0.34 0.00 0.00 178.44 177.07 3g2k h GLN 96 N -1.25 1.11 -0.90 1.25 4.15 -1.97 -1.59 115.11 115.92 3g2k h GLN 96 Ca -0.13 -0.18 0.06 0.00 0.77 0.00 0.00 58.65 59.17 3g2k h GLN 96 Cb 0.96 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 3g2k h GLN 96 CO 0.21 0.88 0.57 -0.97 -1.93 0.00 0.00 178.83 177.59 3g2k h ASN 97 N 1.08 0.90 -0.38 -0.69 -0.73 -1.81 -0.00 115.58 113.95 3g2k h ASN 97 Ca 0.26 0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.35 3g2k h ASN 97 Cb 0.16 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 3g2k h ASN 97 CO -0.03 0.59 -0.10 0.74 -0.37 0.00 0.00 177.43 178.26 3g2k h THR 98 N 1.04 1.28 -0.28 -3.57 2.02 -0.71 -1.97 112.91 110.73 3g2k h THR 98 Ca 0.38 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3g2k h THR 98 Cb 0.14 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3g2k h THR 98 CO -0.16 0.39 0.18 0.24 0.37 0.00 0.00 175.52 176.53 3g2k h MET 99 N 0.54 0.35 -0.15 6.66 2.86 -0.84 -2.08 114.93 122.27 3g2k h MET 99 Ca 0.10 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3g2k h MET 99 Cb 0.61 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3g2k h MET 99 CO 0.04 0.23 -0.02 0.28 1.06 0.00 0.00 176.91 178.50 3g2k h VAL 100 N 0.36 0.87 0.00 -2.22 2.07 -0.93 0.39 116.25 116.79 3g2k h VAL 100 Ca 0.10 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3g2k h VAL 100 Cb -0.03 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3g2k h VAL 100 CO -0.03 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.34 3g2k h ASN 101 N 0.02 0.00 -0.04 0.57 4.21 -1.23 -2.81 115.58 116.29 3g2k h ASN 101 Ca 0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.58 3g2k h ASN 101 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3g2k h ASN 101 CO -0.14 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.18 3g2k n LEU 102 N -3.01 2.73 -3.27 1.61 4.32 -0.80 -0.83 117.00 117.76 3g2k n LEU 102 Ca 0.01 -1.03 -0.21 0.00 -0.02 0.00 0.00 56.01 54.76 3g2k n LEU 102 Cb 0.31 -0.01 0.07 0.00 -1.62 0.00 0.00 43.42 42.17 3g2k n LEU 102 CO 0.27 0.48 0.21 0.00 -1.22 0.00 0.00 177.39 177.12 3g2k n ALA 103 N 1.16 -1.25 0.44 -1.18 0.00 -0.46 -4.94 120.51 114.27 3g2k n ALA 103 Ca 0.12 0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.93 3g2k n ALA 103 Cb 0.51 -4.68 -0.01 0.00 0.00 0.00 0.00 19.45 15.27 3g2k n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g2k n LEU 104 N -4.46 1.12 -0.03 0.00 4.32 0.00 -4.49 117.00 113.45 3g2k n LEU 104 Ca -0.02 -0.74 -0.10 0.00 -0.02 0.00 0.00 56.01 55.13 3g2k n LEU 104 Cb 0.57 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.33 3g2k n LEU 104 CO 0.58 0.23 0.94 -0.08 -1.22 0.00 0.00 177.39 177.84 3g2k h GLU 105 N 0.98 0.22 -0.39 3.23 4.81 -1.63 -0.42 114.58 121.39 3g2k h GLU 105 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 3g2k h GLU 105 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3g2k h GLU 105 CO 0.00 0.15 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.20 3g2k h ASN 106 N 0.23 0.89 -0.24 1.04 2.35 -1.33 -0.72 115.58 117.81 3g2k h ASN 106 Ca 0.07 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 3g2k h ASN 106 Cb -0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3g2k h ASN 106 CO -0.02 1.13 0.12 0.00 -1.65 0.00 0.00 177.43 177.01 3g2k h ALA 107 N 0.92 0.30 -0.62 -0.83 0.00 -1.62 0.63 119.26 118.04 3g2k h ALA 107 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3g2k h ALA 107 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3g2k h ALA 107 CO 0.08 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.24 3g2k h ASP 109 N 0.97 0.15 0.17 0.00 3.58 -0.88 -0.51 116.42 119.90 3g2k h ASP 109 Ca 0.19 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 3g2k h ASP 109 Cb 0.46 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3g2k h ASP 109 CO 0.02 0.12 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.34 3g2k h GLU 110 N 0.28 -0.22 -0.64 0.28 4.57 -0.64 -2.03 114.58 116.18 3g2k h GLU 110 Ca 0.15 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 3g2k h GLU 110 Cb 0.12 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 3g2k h GLU 110 CO -0.15 0.03 0.26 0.00 -1.18 0.00 0.00 179.01 177.97 3g2k h ALA 111 N 0.35 0.85 -0.35 2.92 0.00 -0.62 -1.39 119.26 121.02 3g2k h ALA 111 Ca -0.02 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3g2k h ALA 111 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3g2k h ALA 111 CO 0.04 -0.16 -0.39 1.79 0.00 0.00 0.00 179.25 180.52 3g2k h THR 112 N 0.45 1.28 -0.59 0.00 1.35 -1.12 -2.70 112.91 111.58 3g2k h THR 112 Ca 0.33 -1.57 0.06 0.00 -0.55 0.00 0.00 66.41 64.68 3g2k h THR 112 Cb 0.40 1.42 -0.05 0.00 -1.73 0.00 0.00 68.15 68.18 3g2k h THR 112 CO -0.31 0.52 0.31 0.22 -0.25 0.00 0.00 175.52 176.01 3g2k h TYR 113 N 0.70 0.56 0.00 4.73 3.20 -0.76 0.19 116.97 125.59 3g2k h TYR 113 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3g2k h TYR 113 Cb 0.97 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 3g2k h TYR 113 CO 0.06 0.26 -0.12 1.96 -1.64 0.00 0.00 178.16 178.67 3g2k h GLN 114 N 0.57 0.00 -0.01 1.82 4.20 -1.19 -0.68 115.11 119.83 3g2k h GLN 114 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3g2k h GLN 114 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3g2k h GLN 114 CO -0.19 0.12 -0.10 1.28 -0.67 0.00 0.00 178.83 179.27 3g2k n LEU 115 N -3.34 0.77 -0.05 1.46 4.32 -0.79 -4.93 117.00 114.43 3g2k n LEU 115 Ca -0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 3g2k n LEU 115 Cb 0.33 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 3g2k n LEU 115 CO 0.30 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3g2k n GLY 116 N 1.24 0.66 3.25 -0.72 0.00 -0.26 -5.08 105.19 104.28 3g2k n GLY 116 Ca 0.16 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 3g2k n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2k s LEU 117 N -0.10 2.13 -0.36 0.99 1.43 0.59 -5.00 118.68 118.37 3g2k s LEU 117 Ca 0.00 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 3g2k s LEU 117 Cb 0.00 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.19 3g2k s LEU 117 CO 0.00 0.20 0.59 -0.62 0.23 0.00 0.00 176.35 176.74 3g2k s ASP 118 N -0.99 6.37 0.32 2.29 3.68 -1.26 -3.18 116.67 123.90 3g2k s ASP 118 Ca 0.08 0.04 0.04 0.00 2.13 0.00 0.00 52.55 54.83 3g2k s ASP 118 Cb -0.09 -2.30 0.53 0.00 -1.45 0.00 0.00 42.92 39.61 3g2k s ASP 118 CO 0.01 -0.56 1.81 -0.03 0.13 0.00 0.00 175.17 176.53 3g2k h MET 119 N 8.49 0.48 -0.03 4.34 1.85 -1.92 -2.52 114.93 125.62 3g2k h MET 119 Ca -0.27 -0.14 -0.06 0.00 -0.61 0.00 0.00 59.70 58.62 3g2k h MET 119 Cb 1.11 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.08 3g2k h MET 119 CO 0.82 0.60 -0.29 0.93 -0.40 0.00 0.00 176.91 178.57 3g2k h GLU 120 N 0.45 0.05 -0.29 0.39 5.08 -1.99 -0.62 114.58 117.64 3g2k h GLU 120 Ca 0.08 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3g2k h GLU 120 Cb 0.48 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3g2k h GLU 120 CO 0.03 0.33 -0.39 1.49 -1.00 0.00 0.00 179.01 179.47 3g2k h GLU 121 N 0.04 0.78 -0.50 2.33 4.81 -1.89 -3.07 114.58 117.08 3g2k h GLU 121 Ca 0.00 -0.45 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 3g2k h GLU 121 Cb 0.53 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3g2k h GLU 121 CO 0.04 1.08 0.06 -0.07 -0.73 0.00 0.00 179.01 179.38 3g2k h LEU 122 N 0.54 0.75 -1.49 1.64 4.07 -1.13 -2.94 115.31 116.76 3g2k h LEU 122 Ca 0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 3g2k h LEU 122 Cb 0.98 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 3g2k h LEU 122 CO 0.09 0.79 0.02 -0.33 -1.08 0.00 0.00 178.44 177.93 3g2k h GLU 123 N 0.76 0.35 0.00 1.13 5.08 -1.09 -2.56 114.58 118.25 3g2k h GLU 123 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3g2k h GLU 123 Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3g2k h GLU 123 CO 0.01 0.36 0.00 0.93 -1.00 0.00 0.00 179.01 179.31 3g2k h GLU 124 N 0.34 0.00 -0.01 2.33 4.39 -1.42 -3.05 114.58 117.16 3g2k h GLU 124 Ca 0.08 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.59 3g2k h GLU 124 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3g2k h GLU 124 CO 0.00 0.00 -0.84 0.82 -1.16 0.00 0.00 179.01 177.83 3g2k h ILE 125 N 0.00 1.47 -2.78 3.13 2.04 -1.54 -3.45 117.51 116.37 3g2k h ILE 125 Ca 0.00 -2.50 -0.52 0.00 1.00 0.00 0.00 64.86 62.84 3g2k h ILE 125 Cb 0.38 2.38 0.07 0.00 -0.74 0.00 0.00 36.82 38.90 3g2k h ILE 125 CO 0.00 0.73 0.99 1.21 0.00 0.00 0.00 178.15 181.08 3g2k n GLU 126 N -3.70 2.77 -2.51 2.37 2.13 -1.16 -4.98 120.64 115.56 3g2k n GLU 126 Ca -0.04 1.00 -0.38 0.00 0.66 0.00 0.00 57.16 58.40 3g2k n GLU 126 Cb 0.78 -2.83 -0.04 0.00 0.27 0.00 0.00 31.44 29.62 3g2k n GLU 126 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3g2k s GLU 127 N 0.83 4.27 0.31 5.31 0.41 -1.26 -4.96 118.70 123.60 3g2k s GLU 127 Ca 0.73 1.60 -0.29 0.00 -0.41 0.00 0.00 54.97 56.60 3g2k s GLU 127 Cb -0.50 -2.71 -0.11 0.00 -1.78 0.00 0.00 34.13 29.04 3g2k s GLU 127 CO 0.35 -0.07 1.44 -0.51 -0.49 0.00 0.00 175.26 175.98 3g2k s ASP 128 N -1.37 6.57 -0.86 -0.19 1.11 -1.26 -4.58 116.67 116.10 3g2k s ASP 128 Ca 0.55 2.80 -0.24 0.00 0.18 0.00 0.00 52.55 55.84 3g2k s ASP 128 Cb -0.25 -2.64 0.06 0.00 1.07 0.00 0.00 42.92 41.15 3g2k s ASP 128 CO 0.32 -0.73 1.27 0.00 1.18 0.00 0.00 175.17 177.21 3g2k s ALA 129 N -0.57 2.87 -0.90 5.23 0.00 -0.75 -4.91 121.76 122.74 3g2k s ALA 129 Ca 0.56 -1.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 3g2k s ALA 129 Cb -0.43 -4.27 0.26 0.00 0.00 0.00 0.00 23.12 18.67 3g2k s ALA 129 CO 0.51 -3.29 2.15 0.41 0.00 0.00 0.00 175.76 175.54 3g2k n GLY 130 N 5.95 5.46 1.77 0.00 0.00 -1.26 -2.41 105.19 114.69 3g2k n GLY 130 Ca 0.16 -2.35 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 3g2k n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g2k n LEU 131 N 0.17 5.85 -3.77 0.99 4.77 -1.24 -0.94 117.00 122.83 3g2k n LEU 131 Ca 0.52 -2.99 -0.08 0.00 -0.03 0.00 0.00 56.01 53.43 3g2k n LEU 131 Cb 0.30 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 3g2k n LEU 131 CO 0.50 1.06 0.44 -0.83 -1.33 0.00 0.00 177.39 177.24 3g2k s GLY 132 N 0.19 -0.17 -0.15 -0.72 0.00 -1.26 -1.36 107.32 103.85 3g2k s GLY 132 Ca 0.28 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.87 3g2k s GLY 132 CO 0.01 -0.07 0.25 0.70 0.00 0.00 0.00 173.10 174.00 3g2k n ASN 133 N -0.44 1.47 0.00 1.64 3.02 -1.26 -4.49 115.26 115.20 3g2k n ASN 133 Ca -0.07 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3g2k n ASN 133 Cb 0.60 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3g2k n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g2k n GLY 134 N 1.91 -0.24 0.28 7.41 0.00 -1.26 -4.92 105.19 108.37 3g2k n GLY 134 Ca -0.32 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3g2k n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3g2k h GLY 135 N 0.00 1.00 0.96 -0.02 0.00 -1.98 -0.37 103.07 102.65 3g2k h GLY 135 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3g2k h GLY 135 CO 0.00 0.42 0.05 -2.00 0.00 0.00 0.00 176.54 175.01 3g2k h LEU 136 N 0.92 0.71 -0.62 3.11 6.46 -1.98 -1.05 115.31 122.85 3g2k h LEU 136 Ca 0.24 -0.28 -0.12 0.00 -0.12 0.00 0.00 57.88 57.60 3g2k h LEU 136 Cb 0.02 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3g2k h LEU 136 CO -0.04 0.81 -0.19 1.23 -0.62 0.00 0.00 178.44 179.63 3g2k h GLY 137 N 0.59 0.96 1.60 3.75 0.00 -1.75 -3.03 103.07 105.19 3g2k h GLY 137 Ca 0.13 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.48 3g2k h GLY 137 CO 0.01 0.74 -0.63 -0.09 0.00 0.00 0.00 176.54 176.58 3g2k h ARG 138 N 0.78 0.41 -0.50 4.80 1.12 -1.00 -0.53 114.38 119.45 3g2k h ARG 138 Ca 0.11 -0.29 0.02 0.00 -1.11 0.00 0.00 59.98 58.71 3g2k h ARG 138 Cb 0.73 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.70 3g2k h ARG 138 CO 0.06 0.90 0.31 1.25 -3.11 0.00 0.00 179.97 179.38 3g2k h LEU 139 N 0.30 0.51 -0.98 3.80 5.85 -1.17 -0.74 115.31 122.87 3g2k h LEU 139 Ca -0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3g2k h LEU 139 Cb 1.17 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3g2k h LEU 139 CO 0.11 0.36 0.63 0.00 -0.34 0.00 0.00 178.44 179.20 3g2k h ALA 140 N 1.22 1.37 -0.24 1.25 0.00 -1.43 0.12 119.26 121.55 3g2k h ALA 140 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3g2k h ALA 140 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3g2k h ALA 140 CO -0.08 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 3g2k h ALA 141 N 1.45 0.33 -0.84 0.00 0.00 -1.21 -1.59 119.26 117.40 3g2k h ALA 141 Ca 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3g2k h ALA 141 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3g2k h ALA 141 CO -0.18 0.10 0.48 0.00 0.00 0.00 0.00 179.25 179.66 3g2k h PHE 143 N 1.16 0.89 -0.68 0.00 -1.00 -0.63 -1.56 116.94 115.12 3g2k h PHE 143 Ca 0.30 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 3g2k h PHE 143 Cb -0.01 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.22 3g2k h PHE 143 CO 0.00 0.59 0.37 -0.07 -1.61 0.00 0.00 178.31 177.59 3g2k h LEU 144 N 0.94 0.85 -0.12 1.54 3.38 -1.06 -0.08 115.31 120.75 3g2k h LEU 144 Ca 0.25 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3g2k h LEU 144 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3g2k h LEU 144 CO -0.05 0.70 0.03 -0.78 0.09 0.00 0.00 178.44 178.43 3g2k h ASP 145 N 0.93 0.03 -0.35 -0.43 3.58 -1.21 -2.45 116.42 116.51 3g2k h ASP 145 Ca 0.24 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.61 3g2k h ASP 145 Cb 0.04 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3g2k h ASP 145 CO -0.04 0.03 -0.12 0.28 -2.88 0.00 0.00 179.24 176.51 3g2k h SER 146 N 0.09 0.79 -0.74 2.28 0.02 -0.98 -1.41 113.55 113.61 3g2k h SER 146 Ca 0.05 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3g2k h SER 146 Cb 0.04 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3g2k h SER 146 CO -0.06 0.93 0.34 0.24 -1.14 0.00 0.00 176.83 177.14 3g2k h MET 147 N 0.72 1.07 -0.30 3.45 2.86 -0.90 0.93 114.93 122.77 3g2k h MET 147 Ca 0.12 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3g2k h MET 147 Cb 0.61 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3g2k h MET 147 CO 0.04 0.85 -0.06 0.00 1.06 0.00 0.00 176.91 178.80 3g2k h ALA 148 N 1.17 0.41 -0.23 6.32 0.00 -1.32 -1.10 119.26 124.51 3g2k h ALA 148 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g2k h ALA 148 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3g2k h ALA 148 CO -0.03 0.22 0.13 1.15 0.00 0.00 0.00 179.25 180.72 3g2k h THR 149 N 0.34 1.07 -0.55 0.00 2.02 -1.02 -2.03 112.91 112.75 3g2k h THR 149 Ca 0.08 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3g2k h THR 149 Cb 0.54 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3g2k h THR 149 CO 0.03 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.17 3g2k n LEU 150 N -4.48 3.03 -1.59 2.58 4.77 0.30 -4.74 117.00 116.87 3g2k n LEU 150 Ca 0.00 -1.52 -0.14 0.00 -0.03 0.00 0.00 56.01 54.32 3g2k n LEU 150 Cb 0.09 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3g2k n LEU 150 CO 0.35 0.73 -0.18 0.61 -1.33 0.00 0.00 177.39 177.57 3g2k n GLY 151 N 1.33 -0.04 3.82 -0.72 0.00 -0.76 -0.31 105.19 108.50 3g2k n GLY 151 Ca 0.19 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3g2k n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g2k s LEU 152 N -4.06 4.36 -1.28 0.99 1.43 -0.46 -4.68 118.68 114.97 3g2k s LEU 152 Ca 0.00 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 3g2k s LEU 152 Cb 0.00 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.77 3g2k s LEU 152 CO 0.00 0.06 1.92 0.00 0.23 0.00 0.00 176.35 178.56 3g2k n ALA 153 N 0.81 3.81 -2.45 4.21 0.00 -1.26 -4.65 120.51 120.98 3g2k n ALA 153 Ca -0.03 -3.69 -0.31 0.00 0.00 0.00 0.00 53.44 49.41 3g2k n ALA 153 Cb 0.51 -3.57 -0.13 0.00 0.00 0.00 0.00 19.45 16.26 3g2k n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g2k s ALA 154 N 5.04 2.56 -0.07 0.00 0.00 -1.26 -1.29 121.76 126.74 3g2k s ALA 154 Ca 0.55 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3g2k s ALA 154 Cb 0.07 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3g2k s ALA 154 CO 0.05 0.56 -0.10 0.71 0.00 0.00 0.00 175.76 176.98 3g2k s TYR 155 N -0.86 1.30 -0.11 0.00 2.02 0.12 -4.08 117.35 115.75 3g2k s TYR 155 Ca 0.14 -0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 3g2k s TYR 155 Cb -0.10 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3g2k s TYR 155 CO 0.04 -0.29 0.49 0.20 -1.57 0.00 0.00 175.55 174.42 3g2k s GLY 156 N 0.88 2.42 -0.09 0.71 0.00 -0.98 -1.23 107.32 109.03 3g2k s GLY 156 Ca -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.48 3g2k s GLY 156 CO 0.01 0.78 -0.20 -0.19 0.00 0.00 0.00 173.10 173.49 3g2k s TYR 157 N 0.56 2.24 0.00 1.90 2.02 -0.66 -0.19 117.35 123.22 3g2k s TYR 157 Ca 0.27 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 3g2k s TYR 157 Cb -0.15 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3g2k s TYR 157 CO 0.11 -0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 3g2k n GLY 158 N 3.62 3.23 3.46 0.71 0.00 -0.96 -2.10 105.19 113.15 3g2k n GLY 158 Ca -0.20 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3g2k n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g2k s ILE 159 N -2.35 3.12 -0.89 -0.61 1.01 -1.26 -1.14 121.20 119.08 3g2k s ILE 159 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 3g2k s ILE 159 Cb 0.00 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.34 3g2k s ILE 159 CO 0.00 0.58 1.13 -0.60 0.00 0.00 0.00 174.94 176.05 3g2k s ARG 160 N -0.51 3.50 0.21 2.79 3.52 -0.15 -4.74 118.95 123.57 3g2k s ARG 160 Ca 0.07 -1.51 -0.30 0.00 -0.13 0.00 0.00 55.73 53.86 3g2k s ARG 160 Cb -0.12 -4.84 -0.09 0.00 -1.56 0.00 0.00 34.95 28.35 3g2k s ARG 160 CO 0.02 -1.83 1.22 0.71 -0.81 0.00 0.00 175.30 174.60 3g2k s TYR 161 N 3.22 3.38 0.25 5.12 2.02 -1.26 -4.76 117.35 125.33 3g2k s TYR 161 Ca 0.32 1.42 -0.01 0.00 -0.37 0.00 0.00 57.07 58.43 3g2k s TYR 161 Cb -0.07 -3.47 0.30 0.00 -0.40 0.00 0.00 41.96 38.32 3g2k s TYR 161 CO -0.06 -1.31 1.69 1.49 -1.57 0.00 0.00 175.55 175.80 3g2k h GLU 162 N 4.91 0.68 -4.80 -0.62 4.81 -0.95 -3.41 114.58 115.20 3g2k h GLU 162 Ca -0.45 -0.24 -0.62 0.00 -0.13 0.00 0.00 59.36 57.91 3g2k h GLU 162 Cb 1.21 -0.05 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 3g2k h GLU 162 CO 0.73 0.82 -0.84 -0.06 -0.73 0.00 0.00 179.01 178.93 3g2k s PHE 163 N -4.66 2.32 0.00 0.92 0.40 0.03 -4.35 117.98 112.65 3g2k s PHE 163 Ca -0.08 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.95 3g2k s PHE 163 Cb 0.14 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 42.00 3g2k s PHE 163 CO 0.81 -0.68 0.00 0.41 0.70 0.00 0.00 175.22 176.46 3g2k n GLY 164 N 4.64 0.27 3.72 4.36 0.00 -1.22 -1.94 105.19 115.02 3g2k n GLY 164 Ca -0.18 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3g2k n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g2k n ILE 165 N 0.00 0.44 -1.54 -0.61 0.13 -0.12 -4.57 119.36 113.10 3g2k n ILE 165 Ca 0.00 -0.11 -0.37 0.00 -1.10 0.00 0.00 62.75 61.17 3g2k n ILE 165 Cb 0.00 -1.93 0.06 0.00 -0.84 0.00 0.00 39.64 36.93 3g2k n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3g2k n PHE 166 N 3.14 0.50 -2.68 9.51 1.16 -1.26 -4.53 117.46 123.29 3g2k n PHE 166 Ca 0.13 0.42 -0.42 0.00 -1.87 0.00 0.00 57.45 55.71 3g2k n PHE 166 Cb 0.35 -2.09 -0.04 0.00 -1.61 0.00 0.00 39.48 36.10 3g2k n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3g2k s ASN 167 N -1.33 7.38 -0.24 5.98 0.01 -0.14 -4.90 114.94 121.70 3g2k s ASN 167 Ca 0.75 1.76 -0.15 0.00 -0.71 0.00 0.00 52.86 54.51 3g2k s ASN 167 Cb -0.40 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.64 3g2k s ASN 167 CO 0.48 -0.21 0.36 -1.58 -1.51 0.00 0.00 177.10 174.64 3g2k s GLN 168 N 0.61 4.08 0.02 -0.60 0.74 -1.26 -1.40 119.66 121.84 3g2k s GLN 168 Ca 0.51 0.07 0.04 0.00 0.05 0.00 0.00 55.36 56.03 3g2k s GLN 168 Cb -0.23 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 3g2k s GLN 168 CO 0.29 -0.15 -0.09 0.15 -0.55 0.00 0.00 175.29 174.94 3g2k s LYS 169 N 1.69 2.44 -0.27 1.67 -0.14 -0.14 -3.87 119.74 121.12 3g2k s LYS 169 Ca 0.16 -0.79 -0.07 0.00 -1.36 0.00 0.00 55.97 53.91 3g2k s LYS 169 Cb -0.15 -2.43 -0.01 0.00 -1.68 0.00 0.00 37.83 33.55 3g2k s LYS 169 CO 0.09 0.58 0.07 0.42 -0.76 0.00 0.00 175.35 175.75 3g2k s ILE 170 N -1.00 4.17 -0.18 2.17 -1.09 -1.26 0.43 121.20 124.44 3g2k s ILE 170 Ca 0.17 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 3g2k s ILE 170 Cb -0.11 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3g2k s ILE 170 CO 0.08 0.24 -0.11 0.00 -1.23 0.00 0.00 174.94 173.91 3g2k n GLY 172 N 4.72 -0.51 2.20 0.00 0.00 -1.26 -1.53 105.19 108.82 3g2k n GLY 172 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3g2k n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g2k n GLY 173 N -1.24 1.84 3.90 -0.02 0.00 -1.26 -5.04 105.19 103.37 3g2k n GLY 173 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3g2k n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g2k s TRP 174 N -2.94 3.54 0.11 1.61 0.52 -0.58 -3.83 118.94 117.37 3g2k s TRP 174 Ca 0.00 0.36 -0.31 0.00 0.02 0.00 0.00 56.10 56.17 3g2k s TRP 174 Cb 0.00 -1.83 -0.08 0.00 -1.15 0.00 0.00 33.47 30.42 3g2k s TRP 174 CO 0.00 0.65 1.35 -1.14 0.02 0.00 0.00 176.95 177.83 3g2k s GLN 175 N -1.92 4.34 -0.00 4.98 0.74 -1.26 -0.34 119.66 126.20 3g2k s GLN 175 Ca 0.27 2.02 0.07 0.00 0.05 0.00 0.00 55.36 57.77 3g2k s GLN 175 Cb -0.13 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 3g2k s GLN 175 CO 0.18 -0.40 -0.23 -1.64 -0.55 0.00 0.00 175.29 172.66 3g2k s MET 176 N 1.04 2.11 -0.13 1.67 -1.94 0.17 -4.91 119.30 117.31 3g2k s MET 176 Ca 0.63 -0.93 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 3g2k s MET 176 Cb -0.36 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 3g2k s MET 176 CO 0.30 0.56 0.06 -1.21 -0.01 0.00 0.00 175.02 174.72 3g2k s GLU 177 N -0.87 3.48 0.06 2.03 8.01 -1.26 -0.97 118.70 129.18 3g2k s GLU 177 Ca 0.11 -0.31 0.05 0.00 0.01 0.00 0.00 54.97 54.83 3g2k s GLU 177 Cb -0.10 -3.06 -0.03 0.00 -4.31 0.00 0.00 34.13 26.63 3g2k s GLU 177 CO 0.01 0.57 -0.13 -1.83 0.01 0.00 0.00 175.26 173.89 3g2k s GLU 178 N -0.47 0.77 0.25 1.61 -1.05 -0.49 -4.99 118.70 114.33 3g2k s GLU 178 Ca 0.10 -0.89 -0.31 0.00 -0.15 0.00 0.00 54.97 53.72 3g2k s GLU 178 Cb -0.12 -0.74 -0.13 0.00 -0.44 0.00 0.00 34.13 32.71 3g2k s GLU 178 CO 0.02 0.16 1.55 0.00 0.95 0.00 0.00 175.26 177.94 3g2k n ALA 179 N 1.40 1.98 -2.86 -0.84 0.00 -1.26 -0.96 120.51 117.97 3g2k n ALA 179 Ca -0.21 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 3g2k n ALA 179 Cb 0.54 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 3g2k n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g2k s ASP 180 N 0.56 6.77 -1.47 0.00 3.68 -1.26 -4.66 116.67 120.29 3g2k s ASP 180 Ca 0.68 -2.30 -0.09 0.00 2.13 0.00 0.00 52.55 52.97 3g2k s ASP 180 Cb -0.57 -2.43 0.02 0.00 -1.45 0.00 0.00 42.92 38.49 3g2k s ASP 180 CO 0.45 -1.03 2.58 -0.67 0.13 0.00 0.00 175.17 176.64 3g2k n ASP 181 N 6.69 7.66 0.14 -0.34 2.03 -1.26 -3.45 116.55 128.01 3g2k n ASP 181 Ca 0.31 -2.86 0.12 0.00 0.52 0.00 0.00 54.79 52.88 3g2k n ASP 181 Cb 0.47 -1.49 0.51 0.00 -0.72 0.00 0.00 41.12 39.89 3g2k n ASP 181 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 3g2k n TRP 182 N 3.20 0.79 0.74 -0.67 4.27 -1.26 -2.30 117.44 122.21 3g2k n TRP 182 Ca 0.67 0.33 0.12 0.00 -3.89 0.00 0.00 57.50 54.72 3g2k n TRP 182 Cb 0.26 -1.03 0.21 0.00 -1.36 0.00 0.00 31.31 29.39 3g2k n TRP 182 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3g2k n LEU 183 N -2.24 2.99 -0.24 5.67 4.77 -1.26 -4.62 117.00 122.08 3g2k n LEU 183 Ca 0.01 -1.17 0.03 0.00 -0.03 0.00 0.00 56.01 54.86 3g2k n LEU 183 Cb 0.19 -0.13 0.13 0.00 -2.33 0.00 0.00 43.42 41.28 3g2k n LEU 183 CO 0.18 0.58 0.82 -0.09 -1.33 0.00 0.00 177.39 177.55 3g2k h ARG 184 N 4.21 0.10 -0.33 3.23 2.43 -1.85 -0.44 114.38 121.73 3g2k h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3g2k h ARG 184 Cb 0.91 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3g2k h ARG 184 CO 0.00 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.19 3g2k n TYR 185 N -5.33 0.42 0.00 2.20 4.01 -1.26 -5.06 117.16 112.14 3g2k n TYR 185 Ca 0.12 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3g2k n TYR 185 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3g2k n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g2k n GLY 186 N 1.42 0.61 3.03 2.72 0.00 -0.18 -4.96 105.19 107.83 3g2k n GLY 186 Ca 0.18 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 3g2k n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g2k s ASN 187 N -1.34 4.53 0.46 1.61 2.47 -1.26 -4.87 114.94 116.53 3g2k s ASN 187 Ca 0.00 -1.71 0.30 0.00 0.42 0.00 0.00 52.86 51.87 3g2k s ASN 187 Cb 0.00 -1.53 1.24 0.00 -1.45 0.00 0.00 41.25 39.51 3g2k s ASN 187 CO 0.00 -0.28 1.90 1.55 -3.72 0.00 0.00 177.10 176.55 3g2k h PRO 188 N 7.73 0.00 0.00 0.43 0.13 -1.99 -3.19 132.00 135.10 3g2k h PRO 188 Ca -0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 3g2k h PRO 188 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3g2k h PRO 188 CO 0.48 0.00 -0.48 -1.49 -0.23 0.00 0.00 178.00 176.28 3g2k h TRP 189 N 0.00 0.00 -3.47 1.56 4.06 -1.96 -3.47 115.95 112.67 3g2k h TRP 189 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 3g2k h TRP 189 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3g2k h TRP 189 CO 0.00 0.39 -0.05 -1.83 -3.56 0.00 0.00 178.44 173.39 3g2k s GLU 190 N -3.02 3.79 -0.22 0.49 -1.05 -1.21 -4.30 118.70 113.19 3g2k s GLU 190 Ca 0.04 0.31 0.01 0.00 -0.15 0.00 0.00 54.97 55.18 3g2k s GLU 190 Cb 0.07 -2.57 0.05 0.00 -0.44 0.00 0.00 34.13 31.24 3g2k s GLU 190 CO 0.74 0.21 -0.08 0.21 0.95 0.00 0.00 175.26 177.29 3g2k s LYS 191 N -3.16 1.87 0.32 -4.83 2.47 0.67 -4.95 119.74 112.14 3g2k s LYS 191 Ca 0.48 -0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 53.65 3g2k s LYS 191 Cb -0.11 -2.53 -0.11 0.00 -1.46 0.00 0.00 37.83 33.62 3g2k s LYS 191 CO 0.24 -0.52 1.58 0.00 0.16 0.00 0.00 175.35 176.81 3g2k n ALA 192 N 4.66 2.58 -3.09 3.13 0.00 -1.26 -1.32 120.51 125.20 3g2k n ALA 192 Ca -0.13 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.42 3g2k n ALA 192 Cb 0.45 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 3g2k n ALA 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g2k n ARG 193 N 1.69 2.53 0.27 0.00 5.12 -0.20 -4.93 116.66 121.15 3g2k n ARG 193 Ca 0.06 -4.45 0.18 0.00 -1.93 0.00 0.00 57.85 51.72 3g2k n ARG 193 Cb 0.38 -2.08 0.94 0.00 -1.16 0.00 0.00 32.46 30.54 3g2k n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g2k h PRO 194 N 3.26 0.00 0.00 5.56 0.13 -1.94 -1.07 132.00 137.94 3g2k h PRO 194 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3g2k h PRO 194 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3g2k h PRO 194 CO 0.74 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.56 3g2k h GLU 195 N 0.00 0.00 -0.55 0.86 9.09 -1.95 -2.88 114.58 119.15 3g2k h GLU 195 Ca 0.04 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.31 3g2k h GLU 195 Cb 0.36 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.38 3g2k h GLU 195 CO -0.00 0.00 0.13 1.19 0.05 0.00 0.00 179.01 180.38 3g2k n PHE 196 N -3.08 1.84 -1.94 2.06 3.72 -0.40 -5.01 117.46 114.65 3g2k n PHE 196 Ca -0.00 -1.15 -0.41 0.00 -0.05 0.00 0.00 57.45 55.83 3g2k n PHE 196 Cb 0.24 -0.55 -0.02 0.00 -0.94 0.00 0.00 39.48 38.21 3g2k n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3g2k s THR 197 N -2.98 2.45 0.06 4.37 2.01 -1.09 -4.67 115.64 115.78 3g2k s THR 197 Ca 0.50 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.97 3g2k s THR 197 Cb 0.41 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3g2k s THR 197 CO 0.10 0.07 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.14 3g2k s LEU 198 N -0.68 2.19 0.19 4.42 1.02 -0.41 -4.94 118.68 120.48 3g2k s LEU 198 Ca 0.59 -0.55 -0.22 0.00 0.02 0.00 0.00 54.13 53.96 3g2k s LEU 198 Cb -0.44 -0.95 -0.08 0.00 0.02 0.00 0.00 46.19 44.75 3g2k s LEU 198 CO 0.47 0.14 0.74 -2.16 0.02 0.00 0.00 176.35 175.55 3g2k s PRO 199 N -1.33 4.38 -0.05 1.29 0.04 -1.26 0.54 135.00 138.62 3g2k s PRO 199 Ca 0.07 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.15 3g2k s PRO 199 Cb -0.09 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3g2k s PRO 199 CO 0.02 0.49 -0.20 0.08 0.04 0.00 0.00 177.00 177.42 3g2k s VAL 200 N -1.34 1.69 -0.06 -0.36 1.01 0.10 -4.85 120.40 116.60 3g2k s VAL 200 Ca 0.39 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3g2k s VAL 200 Cb -0.20 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3g2k s VAL 200 CO 0.23 0.48 0.04 -1.00 0.00 0.00 0.00 175.10 174.85 3g2k s HIS 201 N -0.08 3.24 0.09 5.22 3.76 -1.26 -0.59 115.29 125.67 3g2k s HIS 201 Ca -0.03 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.13 3g2k s HIS 201 Cb -0.12 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 3g2k s HIS 201 CO 0.02 0.53 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.30 3g2k s PHE 202 N -1.02 0.92 0.00 1.40 0.40 0.02 -4.97 117.98 114.74 3g2k s PHE 202 Ca 0.17 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 3g2k s PHE 202 Cb -0.12 -0.52 0.00 0.00 0.51 0.00 0.00 43.02 42.89 3g2k s PHE 202 CO 0.07 -0.09 0.00 0.66 0.70 0.00 0.00 175.22 176.56 3g2k n TYR 203 N 0.32 0.00 -4.19 0.36 4.01 0.25 -0.95 117.16 116.96 3g2k n TYR 203 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3g2k n TYR 203 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3g2k n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g2k n GLY 204 N 0.00 -0.82 3.45 2.72 0.00 -1.24 -4.57 105.19 104.73 3g2k n GLY 204 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3g2k n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g2k s ARG 205 N 0.00 1.28 -0.21 1.61 1.70 -0.40 -4.88 118.95 118.05 3g2k s ARG 205 Ca 0.00 -0.90 -0.09 0.00 -0.47 0.00 0.00 55.73 54.27 3g2k s ARG 205 Cb 0.00 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 3g2k s ARG 205 CO 0.00 -0.52 0.10 0.08 -1.08 0.00 0.00 175.30 173.88 3g2k s VAL 206 N -3.88 5.03 -0.09 4.99 1.01 -1.26 -0.92 120.40 125.29 3g2k s VAL 206 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3g2k s VAL 206 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3g2k s VAL 206 CO -0.04 0.42 -0.02 -1.61 0.00 0.00 0.00 175.10 173.85 3g2k s GLU 207 N 0.63 3.02 -0.21 2.72 2.02 0.80 -4.95 118.70 122.73 3g2k s GLU 207 Ca 0.05 -0.46 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 3g2k s GLU 207 Cb -0.13 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 3g2k s GLU 207 CO 0.01 0.62 0.07 -1.01 0.02 0.00 0.00 175.26 174.98 3g2k s HIS 208 N -0.68 3.20 0.49 1.61 3.76 -1.26 0.09 115.29 122.51 3g2k s HIS 208 Ca 0.11 -0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 3g2k s HIS 208 Cb -0.12 -2.14 0.01 0.00 1.11 0.00 0.00 32.58 31.44 3g2k s HIS 208 CO 0.02 -0.00 0.11 0.25 -0.85 0.00 0.00 174.74 174.27 3g2k n THR 209 N 4.01 0.00 0.12 1.30 -2.24 -0.41 -5.00 114.28 112.06 3g2k n THR 209 Ca -0.16 -2.22 0.03 0.00 -2.27 0.00 0.00 64.05 59.42 3g2k n THR 209 Cb 0.52 0.32 0.40 0.00 -2.10 0.00 0.00 70.33 69.46 3g2k n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3g2k h SER 210 N 1.01 0.21 -1.23 3.42 0.02 -2.02 -3.06 113.55 111.89 3g2k h SER 210 Ca -0.38 -0.04 -0.67 0.00 -0.84 0.00 0.00 61.79 59.86 3g2k h SER 210 Cb 1.21 -0.06 -0.27 0.00 0.14 0.00 0.00 62.40 63.43 3g2k h SER 210 CO 0.63 0.37 0.88 1.67 -1.14 0.00 0.00 176.83 179.23 3g2k n GLN 211 N -4.28 2.63 0.00 3.45 -0.06 -1.26 -5.04 117.38 112.82 3g2k n GLN 211 Ca -0.01 -3.19 0.00 0.00 -2.00 0.00 0.00 57.00 51.81 3g2k n GLN 211 Cb 0.27 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.22 3g2k n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g2k n GLY 212 N -0.66 -2.28 3.83 1.69 0.00 -1.16 -4.96 105.19 101.66 3g2k n GLY 212 Ca 0.58 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3g2k n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2k s ALA 213 N -1.14 3.13 -0.02 4.61 0.00 -1.26 -1.29 121.76 125.78 3g2k s ALA 213 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3g2k s ALA 213 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.10 3g2k s ALA 213 CO 0.00 0.19 -0.03 0.15 0.00 0.00 0.00 175.76 176.08 3g2k s LYS 214 N -3.11 0.47 -0.39 0.00 1.02 0.11 -4.90 119.74 112.94 3g2k s LYS 214 Ca 0.59 -0.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 3g2k s LYS 214 Cb -0.09 -0.54 0.01 0.00 -0.52 0.00 0.00 37.83 36.69 3g2k s LYS 214 CO 0.14 -0.04 0.37 -0.46 -0.92 0.00 0.00 175.35 174.44 3g2k s TRP 215 N 0.61 3.20 0.36 3.18 -0.00 -1.26 -0.14 118.94 124.89 3g2k s TRP 215 Ca -0.07 -0.30 0.04 0.00 -0.00 0.00 0.00 56.10 55.77 3g2k s TRP 215 Cb -0.10 -2.73 -0.06 0.00 -0.00 0.00 0.00 33.47 30.58 3g2k s TRP 215 CO -0.01 -0.57 0.05 0.14 -0.00 0.00 0.00 176.95 176.57 3g2k s VAL 216 N 1.98 1.26 -1.50 5.86 -7.23 -0.09 -4.82 120.40 115.85 3g2k s VAL 216 Ca 0.10 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 3g2k s VAL 216 Cb -0.17 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.10 3g2k s VAL 216 CO 0.12 0.00 0.93 0.47 -0.31 0.00 0.00 175.10 176.32 3g2k n ASP 217 N -0.85 -4.95 -4.89 4.85 8.00 -1.26 -1.28 116.55 116.17 3g2k n ASP 217 Ca -0.04 -0.70 -0.29 0.00 0.71 0.00 0.00 54.79 54.47 3g2k n ASP 217 Cb 0.66 -3.96 -0.01 0.00 -0.02 0.00 0.00 41.12 37.79 3g2k n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3g2k s THR 218 N -3.26 4.84 -0.01 -3.53 -4.23 -1.26 -3.62 115.64 104.57 3g2k s THR 218 Ca 0.62 0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 61.42 3g2k s THR 218 Cb -0.31 -3.81 -0.06 0.00 1.34 0.00 0.00 72.50 69.67 3g2k s THR 218 CO 0.76 -0.74 0.42 -1.10 -0.54 0.00 0.00 174.62 173.43 3g2k s GLN 219 N -4.40 3.98 -0.16 3.99 -0.21 -0.12 -4.91 119.66 117.83 3g2k s GLN 219 Ca 0.50 0.42 -0.04 0.00 0.02 0.00 0.00 55.36 56.25 3g2k s GLN 219 Cb -0.10 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 3g2k s GLN 219 CO 0.40 0.63 -0.02 0.08 -2.12 0.00 0.00 175.29 174.26 3g2k s VAL 220 N -0.87 4.06 -0.06 1.09 1.01 -1.26 -0.80 120.40 123.56 3g2k s VAL 220 Ca 0.24 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3g2k s VAL 220 Cb -0.17 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3g2k s VAL 220 CO 0.13 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 174.79 3g2k s VAL 221 N 0.35 2.15 0.17 2.92 1.01 0.24 -4.49 120.40 122.76 3g2k s VAL 221 Ca -0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 3g2k s VAL 221 Cb -0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 3g2k s VAL 221 CO 0.02 0.57 0.72 -0.76 0.00 0.00 0.00 175.10 175.65 3g2k s LEU 222 N -0.17 4.48 -0.30 3.92 1.43 0.11 0.02 118.68 128.17 3g2k s LEU 222 Ca -0.03 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 3g2k s LEU 222 Cb -0.14 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.76 3g2k s LEU 222 CO 0.04 0.15 0.05 0.00 0.23 0.00 0.00 176.35 176.81 3g2k s ALA 223 N -1.30 2.95 -0.24 4.21 0.00 0.19 -0.62 121.76 126.95 3g2k s ALA 223 Ca 0.38 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 3g2k s ALA 223 Cb -0.20 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3g2k s ALA 223 CO 0.23 -1.04 0.11 1.41 0.00 0.00 0.00 175.76 176.47 3g2k s MET 224 N 1.41 3.85 0.29 0.00 1.75 0.39 -1.28 119.30 125.71 3g2k s MET 224 Ca 0.00 -0.38 -0.23 0.00 -1.25 0.00 0.00 55.69 53.83 3g2k s MET 224 Cb -0.18 -3.41 -0.09 0.00 2.84 0.00 0.00 34.83 33.98 3g2k s MET 224 CO 0.01 -0.05 0.85 -1.25 -0.65 0.00 0.00 175.02 173.93 3g2k s PRO 225 N 1.30 4.41 -0.11 4.11 0.04 -1.26 -0.54 135.00 142.94 3g2k s PRO 225 Ca 0.06 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.23 3g2k s PRO 225 Cb -0.15 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.64 3g2k s PRO 225 CO 0.05 0.30 -0.18 0.71 0.04 0.00 0.00 177.00 177.92 3g2k s TYR 226 N -1.64 2.21 -0.15 0.56 1.51 0.18 -1.03 117.35 118.99 3g2k s TYR 226 Ca 0.48 -1.05 -0.07 0.00 -1.01 0.00 0.00 57.07 55.43 3g2k s TYR 226 Cb -0.17 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 3g2k s TYR 226 CO 0.22 -0.50 0.10 -0.51 -1.11 0.00 0.00 175.55 173.74 3g2k s ASP 227 N 0.86 5.99 -0.07 2.29 -0.00 -0.43 -0.98 116.67 124.31 3g2k s ASP 227 Ca -0.08 0.26 0.04 0.00 -0.00 0.00 0.00 52.55 52.77 3g2k s ASP 227 Cb -0.15 -1.97 0.00 0.00 -0.00 0.00 0.00 42.92 40.80 3g2k s ASP 227 CO -0.00 0.29 -0.20 -0.89 -0.00 0.00 0.00 175.17 174.36 3g2k s THR 228 N -0.29 1.74 0.35 -1.27 2.01 -0.12 -0.23 115.64 117.83 3g2k s THR 228 Ca 0.10 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 3g2k s THR 228 Cb -0.12 -1.51 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 3g2k s THR 228 CO 0.01 0.49 1.08 -2.16 -0.69 0.00 0.00 174.62 173.36 3g2k s PRO 229 N 0.26 4.34 -0.38 4.92 0.04 -1.26 -0.87 135.00 142.04 3g2k s PRO 229 Ca -0.12 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.62 3g2k s PRO 229 Cb -0.16 -2.82 0.11 0.00 0.04 0.00 0.00 34.50 31.68 3g2k s PRO 229 CO 0.06 -0.02 0.11 0.08 0.04 0.00 0.00 177.00 177.27 3g2k s VAL 230 N -1.43 2.08 0.17 -0.36 1.01 0.14 -4.87 120.40 117.14 3g2k s VAL 230 Ca 0.52 -2.43 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 3g2k s VAL 230 Cb -0.27 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3g2k s VAL 230 CO 0.34 -0.67 0.98 -2.16 0.00 0.00 0.00 175.10 173.59 3g2k s PRO 231 N 0.72 4.73 0.76 2.72 0.04 -1.26 -0.93 135.00 141.78 3g2k s PRO 231 Ca 0.13 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 3g2k s PRO 231 Cb -0.21 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3g2k s PRO 231 CO -0.08 0.29 1.10 0.20 0.04 0.00 0.00 177.00 178.54 3g2k s GLY 232 N -0.43 1.62 -0.56 0.56 0.00 0.34 -4.74 107.32 104.11 3g2k s GLY 232 Ca 0.45 -0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.62 3g2k s GLY 232 CO 0.32 0.12 1.56 -0.47 0.00 0.00 0.00 173.10 174.63 3g2k s TYR 233 N -3.26 2.08 -1.01 1.90 6.14 -1.26 -4.14 117.35 117.80 3g2k s TYR 233 Ca 0.60 0.53 -0.04 0.00 0.64 0.00 0.00 57.07 58.79 3g2k s TYR 233 Cb -0.13 -4.31 0.03 0.00 0.42 0.00 0.00 41.96 37.98 3g2k s TYR 233 CO 0.53 -2.17 0.21 0.54 0.64 0.00 0.00 175.55 175.30 3g2k n ARG 234 N 8.81 -2.79 -0.04 4.97 3.00 -0.01 -4.80 116.66 125.81 3g2k n ARG 234 Ca 0.15 0.45 0.02 0.00 -0.01 0.00 0.00 57.85 58.46 3g2k n ARG 234 Cb 0.50 -5.08 0.04 0.00 0.00 0.00 0.00 32.46 27.92 3g2k n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3g2k n ASN 235 N -1.97 1.89 -0.47 0.55 2.04 -1.26 -4.96 115.26 111.08 3g2k n ASN 235 Ca -0.06 -1.60 -0.06 0.00 -0.44 0.00 0.00 54.58 52.41 3g2k n ASN 235 Cb 0.56 -0.05 -0.03 0.00 -2.53 0.00 0.00 39.78 37.74 3g2k n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3g2k n ASN 236 N 0.07 -5.53 -4.74 0.53 3.02 -1.26 -1.45 115.26 105.90 3g2k n ASN 236 Ca 0.04 0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.34 3g2k n ASN 236 Cb 0.22 -3.57 -0.05 0.00 -0.61 0.00 0.00 39.78 35.77 3g2k n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g2k s VAL 237 N -1.63 4.88 -0.24 2.41 1.01 -1.26 -4.80 120.40 120.77 3g2k s VAL 237 Ca 0.00 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 3g2k s VAL 237 Cb 0.00 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.41 3g2k s VAL 237 CO 0.00 0.34 0.04 -0.69 0.00 0.00 0.00 175.10 174.79 3g2k s VAL 238 N 0.19 0.81 0.81 2.92 1.01 -1.26 -0.51 120.40 124.37 3g2k s VAL 238 Ca 0.36 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3g2k s VAL 238 Cb -0.19 -1.37 0.16 0.00 0.00 0.00 0.00 36.38 34.98 3g2k s VAL 238 CO 0.20 -0.34 1.11 0.20 0.00 0.00 0.00 175.10 176.27 3g2k s ASN 239 N 1.70 3.89 -0.07 3.32 0.01 -0.11 -4.66 114.94 119.03 3g2k s ASN 239 Ca 0.02 -0.25 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 3g2k s ASN 239 Cb -0.17 0.02 -0.00 0.00 0.41 0.00 0.00 41.25 41.50 3g2k s ASN 239 CO -0.13 -2.19 -0.21 -0.89 -1.51 0.00 0.00 177.10 172.17 3g2k s THR 240 N -3.39 1.81 -0.29 1.60 2.01 -1.26 0.23 115.64 116.36 3g2k s THR 240 Ca 0.70 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 3g2k s THR 240 Cb -0.04 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 3g2k s THR 240 CO 0.47 0.51 0.13 -0.32 -0.69 0.00 0.00 174.62 174.72 3g2k s MET 241 N 0.13 3.51 -0.27 4.92 1.75 -0.05 -2.31 119.30 126.98 3g2k s MET 241 Ca -0.10 -0.60 -0.08 0.00 -1.25 0.00 0.00 55.69 53.67 3g2k s MET 241 Cb -0.15 -3.51 -0.02 0.00 2.84 0.00 0.00 34.83 33.99 3g2k s MET 241 CO 0.05 -0.32 0.10 0.50 -0.65 0.00 0.00 175.02 174.70 3g2k s ARG 242 N 1.63 3.54 -0.12 4.11 3.52 0.73 -0.95 118.95 131.42 3g2k s ARG 242 Ca 0.05 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 3g2k s ARG 242 Cb -0.16 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3g2k s ARG 242 CO 0.06 -0.27 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.64 3g2k s LEU 243 N 1.61 2.74 0.05 -0.88 1.43 -0.16 -2.27 118.68 121.21 3g2k s LEU 243 Ca 0.06 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 3g2k s LEU 243 Cb -0.16 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 3g2k s LEU 243 CO 0.05 0.18 0.54 0.26 0.23 0.00 0.00 176.35 177.61 3g2k s TRP 244 N 0.26 3.79 -0.02 0.29 0.52 -0.29 -0.65 118.94 122.83 3g2k s TRP 244 Ca -0.09 1.22 0.08 0.00 0.02 0.00 0.00 56.10 57.33 3g2k s TRP 244 Cb -0.15 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.68 3g2k s TRP 244 CO 0.05 0.58 -0.25 0.45 0.02 0.00 0.00 176.95 177.80 3g2k s SER 245 N -1.03 3.13 0.01 2.95 0.15 0.30 -0.98 113.70 118.23 3g2k s SER 245 Ca 0.28 -0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 3g2k s SER 245 Cb -0.19 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.68 3g2k s SER 245 CO 0.18 0.32 0.76 0.00 1.20 0.00 0.00 173.24 175.70 3g2k s ALA 246 N -0.61 3.35 -0.02 5.45 0.00 -1.26 -0.46 121.76 128.21 3g2k s ALA 246 Ca 0.10 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3g2k s ALA 246 Cb -0.10 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3g2k s ALA 246 CO -0.01 0.01 -0.05 0.15 0.00 0.00 0.00 175.76 175.86 3g2k s LYS 247 N 0.21 0.60 0.37 0.00 -0.14 0.21 -4.63 119.74 116.37 3g2k s LYS 247 Ca 0.39 -0.17 -0.25 0.00 -1.36 0.00 0.00 55.97 54.58 3g2k s LYS 247 Cb -0.20 -0.60 -0.09 0.00 -1.68 0.00 0.00 37.83 35.26 3g2k s LYS 247 CO 0.22 0.05 1.08 0.00 -0.76 0.00 0.00 175.35 175.94 3g2k s ALA 248 N 0.25 3.17 0.79 5.17 0.00 -1.26 0.03 121.76 129.92 3g2k s ALA 248 Ca -0.03 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3g2k s ALA 248 Cb -0.07 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.82 3g2k s ALA 248 CO -0.00 -0.25 1.09 -1.25 0.00 0.00 0.00 175.76 175.35 3g2k s PRO 249 N -2.21 2.07 0.45 0.00 0.04 -1.26 -4.84 135.00 129.25 3g2k s PRO 249 Ca 0.54 1.16 0.24 0.00 0.04 0.00 0.00 61.00 62.99 3g2k s PRO 249 Cb -0.26 -1.88 0.99 0.00 0.04 0.00 0.00 34.50 33.40 3g2k s PRO 249 CO 0.32 -1.77 1.86 -0.91 0.04 0.00 0.00 177.00 176.54 3g2k h ASN 250 N -1.22 0.00 -0.38 6.66 4.21 -1.99 -2.27 115.58 120.58 3g2k h ASN 250 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 3g2k h ASN 250 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 3g2k h ASN 250 CO 0.51 0.22 0.00 -0.90 -1.29 0.00 0.00 177.43 175.97 3g2k n ASP 251 N -3.43 3.01 -4.71 5.81 5.75 -1.26 -4.90 116.55 116.82 3g2k n ASP 251 Ca -0.00 -2.27 -0.42 0.00 -0.01 0.00 0.00 54.79 52.09 3g2k n ASP 251 Cb 0.40 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 3g2k n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3g2k n PHE 252 N 0.56 2.70 -0.44 2.11 7.35 -0.86 -0.50 117.46 128.38 3g2k n PHE 252 Ca 0.15 -0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 3g2k n PHE 252 Cb 0.58 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.71 3g2k n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3g2k n ASN 253 N 4.71 0.00 -4.15 -2.13 4.13 -1.26 -4.76 115.26 111.80 3g2k n ASN 253 Ca 0.17 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.09 3g2k n ASN 253 Cb 0.36 -2.30 -0.14 0.00 -1.54 0.00 0.00 39.78 36.15 3g2k n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3g2k s LEU 254 N 0.00 3.51 0.00 3.41 1.43 0.34 -4.92 118.68 122.45 3g2k s LEU 254 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 3g2k s LEU 254 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3g2k s LEU 254 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3g2k n GLY 261 N 4.58 -2.48 0.21 -3.19 0.00 -1.26 -5.02 105.19 98.01 3g2k n GLY 261 Ca -0.15 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3g2k n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g2k h TYR 262 N 0.00 -0.43 0.09 1.61 3.20 -2.00 -1.87 116.97 117.57 3g2k h TYR 262 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3g2k h TYR 262 Cb 0.00 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3g2k h TYR 262 CO 0.00 -0.24 -0.16 0.82 -1.64 0.00 0.00 178.16 176.94 3g2k h ILE 263 N -0.28 0.64 -0.91 1.81 1.08 -2.03 -2.38 117.51 115.44 3g2k h ILE 263 Ca 0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.64 3g2k h ILE 263 Cb 0.34 0.64 -0.08 0.00 -3.07 0.00 0.00 36.82 34.65 3g2k h ILE 263 CO -0.15 0.00 0.54 1.56 -0.69 0.00 0.00 178.15 179.41 3g2k h GLN 264 N -0.30 0.83 -0.89 2.37 1.08 -1.96 -0.85 115.11 115.39 3g2k h GLN 264 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3g2k h GLN 264 Cb 0.32 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3g2k h GLN 264 CO -0.09 0.55 0.57 0.00 -0.95 0.00 0.00 178.83 178.92 3g2k h ALA 265 N 1.51 1.13 -0.28 3.87 0.00 -0.85 0.16 119.26 124.81 3g2k h ALA 265 Ca 0.45 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3g2k h ALA 265 Cb 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3g2k h ALA 265 CO -0.27 0.56 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 3g2k h VAL 266 N 1.22 1.30 0.00 0.00 2.07 -0.97 -3.04 116.25 116.82 3g2k h VAL 266 Ca 0.32 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 3g2k h VAL 266 Cb -0.11 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3g2k h VAL 266 CO -0.07 0.40 -0.17 -0.07 0.02 0.00 0.00 177.57 177.68 3g2k h LEU 267 N 0.33 0.00 0.00 2.57 3.38 -0.68 -2.62 115.31 118.29 3g2k h LEU 267 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g2k h LEU 267 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3g2k h LEU 267 CO 0.04 0.17 0.00 0.47 0.09 0.00 0.00 178.44 179.22 3g2k n ASP 268 N -4.18 0.00 0.30 -0.43 8.00 0.52 -3.07 116.55 117.69 3g2k n ASP 268 Ca -0.02 0.05 0.15 0.00 0.71 0.00 0.00 54.79 55.68 3g2k n ASP 268 Cb 0.25 -0.31 0.91 0.00 -0.02 0.00 0.00 41.12 41.94 3g2k n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3g2k h ARG 269 N 0.00 0.00 -0.56 -1.24 3.08 -1.53 -2.43 114.38 111.71 3g2k h ARG 269 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3g2k h ARG 269 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3g2k h ARG 269 CO 0.00 0.02 0.37 -0.91 -1.07 0.00 0.00 179.97 178.38 3g2k h ASN 270 N 0.00 0.42 -0.58 7.04 -0.26 -1.79 -2.42 115.58 118.00 3g2k h ASN 270 Ca -0.00 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.80 3g2k h ASN 270 Cb 0.04 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.16 3g2k h ASN 270 CO 0.00 0.27 0.28 -0.07 -1.06 0.00 0.00 177.43 176.85 3g2k h LEU 271 N 0.47 0.39 -0.40 1.61 4.07 -1.71 0.90 115.31 120.65 3g2k h LEU 271 Ca 0.25 0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.09 3g2k h LEU 271 Cb 0.36 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3g2k h LEU 271 CO -0.07 0.26 -0.39 0.00 -1.08 0.00 0.00 178.44 177.16 3g2k h ALA 272 N 1.33 0.58 0.00 1.53 0.00 -1.63 -3.24 119.26 117.84 3g2k h ALA 272 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3g2k h ALA 272 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3g2k h ALA 272 CO -0.20 0.68 0.00 0.39 0.00 0.00 0.00 179.25 180.12 3g2k n GLU 273 N -4.05 0.21 0.32 0.00 1.02 -0.86 -3.07 120.64 114.21 3g2k n GLU 273 Ca -0.02 0.21 0.20 0.00 -0.02 0.00 0.00 57.16 57.53 3g2k n GLU 273 Cb 0.55 -1.77 1.10 0.00 -0.02 0.00 0.00 31.44 31.30 3g2k n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3g2k h ASN 274 N 0.00 0.00 -0.76 1.62 2.35 -0.86 -3.10 115.58 114.83 3g2k h ASN 274 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 3g2k h ASN 274 Cb 0.65 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.93 3g2k h ASN 274 CO 0.00 0.00 0.36 0.40 -1.65 0.00 0.00 177.43 176.54 3g2k h ILE 275 N 0.00 0.76 -0.58 2.81 2.04 -1.75 -1.63 117.51 119.16 3g2k h ILE 275 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3g2k h ILE 275 Cb 0.02 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3g2k h ILE 275 CO 0.00 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 3g2k n SER 276 N -4.91 5.49 -0.03 1.72 3.41 -1.17 -4.65 113.62 113.48 3g2k n SER 276 Ca 0.13 -2.83 -0.15 0.00 -0.26 0.00 0.00 58.87 55.76 3g2k n SER 276 Cb 0.36 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 3g2k n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g2k h ARG 277 N 3.96 0.31 -3.43 4.33 9.65 -1.40 -1.93 114.38 125.86 3g2k h ARG 277 Ca 0.00 -0.26 -0.20 0.00 -1.10 0.00 0.00 59.98 58.42 3g2k h ARG 277 Cb 1.86 0.06 -0.27 0.00 -1.39 0.00 0.00 29.97 30.23 3g2k h ARG 277 CO 0.43 0.92 -0.57 0.54 2.80 0.00 0.00 179.97 184.09 3g2k s VAL 278 N -3.55 0.00 0.02 0.20 0.11 -1.26 -0.79 120.40 115.13 3g2k s VAL 278 Ca -0.14 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 3g2k s VAL 278 Cb 0.03 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.64 3g2k s VAL 278 CO 0.77 -0.01 1.25 -0.22 -3.33 0.00 0.00 175.10 173.56 3g2k s LEU 279 N 0.02 4.33 0.05 2.54 2.96 -0.82 -4.99 118.68 122.77 3g2k s LEU 279 Ca -0.00 2.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.60 3g2k s LEU 279 Cb -0.01 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.03 3g2k s LEU 279 CO 0.00 -0.56 1.75 -0.31 -1.32 0.00 0.00 176.35 175.91 3g2k s TYR 280 N 1.66 2.02 -0.24 5.38 1.51 -1.26 -4.84 117.35 121.57 3g2k s TYR 280 Ca 0.59 0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.73 3g2k s TYR 280 Cb -0.29 -4.06 0.30 0.00 -0.11 0.00 0.00 41.96 37.80 3g2k s TYR 280 CO 0.27 -4.43 1.37 -0.35 -1.11 0.00 0.00 175.55 171.30 3g2k n PRO 281 N 6.36 1.66 -3.63 -1.71 -0.04 -1.26 -4.91 135.00 131.48 3g2k n PRO 281 Ca 0.17 -1.32 -0.37 0.00 -0.04 0.00 0.00 63.50 61.95 3g2k n PRO 281 Cb 0.41 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 3g2k n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3g2k s ASN 282 N -0.04 6.18 -0.24 3.54 0.01 -1.26 -4.42 114.94 118.72 3g2k s ASN 282 Ca 0.25 0.19 -0.13 0.00 -0.71 0.00 0.00 52.86 52.46 3g2k s ASN 282 Cb 0.21 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 3g2k s ASN 282 CO 0.05 0.06 0.27 -0.62 -1.51 0.00 0.00 177.10 175.35 3g2k s ASP 283 N 0.95 6.23 -1.43 -1.22 2.15 -1.26 -4.56 116.67 117.53 3g2k s ASP 283 Ca 0.09 0.25 -0.08 0.00 0.43 0.00 0.00 52.55 53.24 3g2k s ASP 283 Cb -0.13 -2.16 0.05 0.00 -0.30 0.00 0.00 42.92 40.37 3g2k s ASP 283 CO 0.04 -0.03 0.87 0.59 -0.17 0.00 0.00 175.17 176.47 3g2k n ASN 284 N 4.61 -3.37 -3.67 -0.34 3.02 -1.26 -4.98 115.26 109.27 3g2k n ASN 284 Ca -0.12 -0.79 -0.09 0.00 -0.03 0.00 0.00 54.58 53.55 3g2k n ASN 284 Cb 0.51 -4.00 -0.09 0.00 -0.61 0.00 0.00 39.78 35.60 3g2k n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3g2k s PHE 285 N -3.46 -0.81 -0.21 3.10 5.36 -1.26 -4.42 117.98 116.28 3g2k s PHE 285 Ca 0.39 1.69 -0.15 0.00 -0.96 0.00 0.00 56.93 57.89 3g2k s PHE 285 Cb -0.19 0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 42.87 3g2k s PHE 285 CO 0.82 -0.42 0.37 0.12 -1.46 0.00 0.00 175.22 174.65 3g2k s PHE 286 N 1.41 3.36 -0.22 10.12 2.19 -0.45 -4.86 117.98 129.52 3g2k s PHE 286 Ca -0.09 0.56 -0.00 0.00 0.33 0.00 0.00 56.93 57.73 3g2k s PHE 286 Cb -0.06 -2.51 0.02 0.00 -1.31 0.00 0.00 43.02 39.16 3g2k s PHE 286 CO -0.15 -0.02 -0.12 -2.00 1.83 0.00 0.00 175.22 174.76 3g2k s GLU 287 N 1.35 2.89 -1.36 10.12 2.12 -1.26 -4.95 118.70 127.61 3g2k s GLU 287 Ca 0.18 -0.92 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 3g2k s GLU 287 Cb -0.15 -2.82 0.10 0.00 0.26 0.00 0.00 34.13 31.53 3g2k s GLU 287 CO 0.08 -0.32 2.28 0.41 -0.54 0.00 0.00 175.26 177.16 3g2k n GLY 288 N 4.64 4.87 3.81 -1.50 0.00 -1.26 -4.94 105.19 110.80 3g2k n GLY 288 Ca -0.18 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 3g2k n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2k s LYS 289 N 0.18 3.17 0.23 1.61 -0.14 -1.26 -5.02 119.74 118.51 3g2k s LYS 289 Ca 0.51 -0.42 -0.07 0.00 -1.36 0.00 0.00 55.97 54.63 3g2k s LYS 289 Cb 0.15 -2.93 0.31 0.00 -1.68 0.00 0.00 37.83 33.68 3g2k s LYS 289 CO -0.06 0.67 1.82 1.49 -0.76 0.00 0.00 175.35 178.51 3g2k h GLU 290 N 4.15 0.76 -0.90 1.68 4.81 -2.00 -2.11 114.58 120.97 3g2k h GLU 290 Ca -0.50 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.76 3g2k h GLU 290 Cb 1.19 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 3g2k h GLU 290 CO 0.63 0.50 0.56 1.25 -0.73 0.00 0.00 179.01 181.22 3g2k h LEU 291 N 0.78 0.88 -0.65 1.64 5.85 -1.99 -0.52 115.31 121.30 3g2k h LEU 291 Ca 0.34 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 3g2k h LEU 291 Cb 0.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3g2k h LEU 291 CO -0.20 0.55 0.25 -0.09 -0.34 0.00 0.00 178.44 178.61 3g2k h ARG 292 N 1.01 0.98 -0.80 1.25 9.65 -1.76 -1.65 114.38 123.05 3g2k h ARG 292 Ca 0.40 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 59.07 3g2k h ARG 292 Cb 0.20 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3g2k h ARG 292 CO -0.18 0.82 0.39 1.25 2.80 0.00 0.00 179.97 185.05 3g2k h LEU 293 N 0.92 1.04 -0.94 3.80 5.85 -0.92 -1.45 115.31 123.61 3g2k h LEU 293 Ca 0.22 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3g2k h LEU 293 Cb 0.22 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3g2k h LEU 293 CO -0.02 0.87 0.57 0.11 -0.34 0.00 0.00 178.44 179.64 3g2k h LYS 294 N 1.13 1.28 -0.61 1.25 1.57 -0.86 -1.25 116.57 119.08 3g2k h LYS 294 Ca 0.28 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3g2k h LYS 294 Cb 0.11 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3g2k h LYS 294 CO -0.04 0.89 0.32 1.96 -0.57 0.00 0.00 179.45 182.01 3g2k h GLN 295 N 1.30 0.86 -0.49 3.15 4.20 -0.77 -0.16 115.11 123.20 3g2k h GLN 295 Ca 0.34 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3g2k h GLN 295 Cb -0.06 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3g2k h GLN 295 CO -0.06 0.67 0.14 0.93 -0.67 0.00 0.00 178.83 179.83 3g2k h GLU 296 N 0.83 0.78 -0.23 1.46 5.08 -0.74 -2.30 114.58 119.46 3g2k h GLU 296 Ca 0.21 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3g2k h GLU 296 Cb 0.07 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3g2k h GLU 296 CO -0.03 0.74 -0.52 -0.92 -1.00 0.00 0.00 179.01 177.28 3g2k h TYR 297 N 0.67 0.97 -0.37 4.33 3.20 -1.13 -2.93 116.97 121.70 3g2k h TYR 297 Ca 0.16 -0.36 0.08 0.00 3.14 0.00 0.00 58.73 61.74 3g2k h TYR 297 Cb 0.30 -0.18 -0.09 0.00 1.54 0.00 0.00 36.73 38.31 3g2k h TYR 297 CO 0.02 1.17 -0.24 0.35 -1.64 0.00 0.00 178.16 177.81 3g2k h PHE 298 N 0.50 -0.63 -0.67 -3.82 3.57 -0.92 0.29 116.94 115.26 3g2k h PHE 298 Ca 0.00 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3g2k h PHE 298 Cb 1.13 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 3g2k h PHE 298 CO 0.08 -0.32 0.13 -0.24 -2.23 0.00 0.00 178.31 175.73 3g2k h VAL 299 N -0.19 1.26 -0.18 1.41 3.04 -1.46 -2.69 116.25 117.45 3g2k h VAL 299 Ca 0.18 -1.00 -0.07 0.00 -1.01 0.00 0.00 66.70 64.80 3g2k h VAL 299 Cb 0.47 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3g2k h VAL 299 CO -0.48 0.38 -0.16 0.58 -1.01 0.00 0.00 177.57 176.88 3g2k h VAL 300 N 1.02 1.33 -0.23 1.51 2.07 -1.18 -2.06 116.25 118.72 3g2k h VAL 300 Ca 0.21 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3g2k h VAL 300 Cb 0.41 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3g2k h VAL 300 CO 0.01 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 3g2k h ALA 301 N 0.64 0.30 -0.41 1.67 0.00 -0.44 -1.35 119.26 119.68 3g2k h ALA 301 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3g2k h ALA 301 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3g2k h ALA 301 CO 0.04 0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.37 3g2k h ALA 302 N 0.79 0.54 -0.05 0.00 0.00 -1.55 -2.85 119.26 116.15 3g2k h ALA 302 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3g2k h ALA 302 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3g2k h ALA 302 CO 0.01 0.28 0.03 1.15 0.00 0.00 0.00 179.25 180.73 3g2k h THR 303 N 0.53 1.03 -0.85 0.00 2.02 -1.33 -2.57 112.91 111.74 3g2k h THR 303 Ca 0.12 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3g2k h THR 303 Cb 0.41 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3g2k h THR 303 CO 0.01 0.03 0.46 -0.07 0.37 0.00 0.00 175.52 176.32 3g2k h LEU 304 N 0.05 1.07 -0.88 2.58 3.38 -1.25 -0.16 115.31 120.10 3g2k h LEU 304 Ca 0.02 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3g2k h LEU 304 Cb 0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3g2k h LEU 304 CO -0.00 0.86 0.57 1.56 0.09 0.00 0.00 178.44 181.52 3g2k h GLN 305 N 1.20 1.11 -0.35 1.13 4.20 -1.43 -0.73 115.11 120.24 3g2k h GLN 305 Ca 0.30 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 3g2k h GLN 305 Cb 0.04 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3g2k h GLN 305 CO -0.05 0.73 0.05 0.22 -0.67 0.00 0.00 178.83 179.12 3g2k h ASP 306 N 1.14 0.56 0.00 1.46 -0.00 -0.96 -0.76 116.42 117.86 3g2k h ASP 306 Ca 0.34 -0.26 0.01 0.00 -0.00 0.00 0.00 57.03 57.12 3g2k h ASP 306 Cb -0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.10 3g2k h ASP 306 CO -0.10 0.68 -0.09 0.40 -0.00 0.00 0.00 179.24 180.14 3g2k h ILE 307 N 0.41 0.78 -0.48 2.25 2.04 -0.74 -1.52 117.51 120.25 3g2k h ILE 307 Ca 0.10 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 3g2k h ILE 307 Cb 0.36 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3g2k h ILE 307 CO 0.01 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.53 3g2k h ILE 308 N -0.15 1.27 -0.24 -0.67 2.04 -1.06 -0.38 117.51 118.30 3g2k h ILE 308 Ca 0.03 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.82 3g2k h ILE 308 Cb 0.19 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3g2k h ILE 308 CO -0.09 0.39 -0.09 -0.09 0.00 0.00 0.00 178.15 178.28 3g2k h ARG 309 N 0.72 -0.04 -0.37 2.37 2.43 -1.07 -0.07 114.38 118.35 3g2k h ARG 309 Ca 0.13 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3g2k h ARG 309 Cb 0.56 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3g2k h ARG 309 CO 0.03 -0.02 0.01 -0.09 -1.51 0.00 0.00 179.97 178.39 3g2k h ARG 310 N -0.04 0.58 -0.47 0.20 2.43 -0.99 -2.44 114.38 113.65 3g2k h ARG 310 Ca 0.12 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3g2k h ARG 310 Cb 0.22 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3g2k h ARG 310 CO -0.27 0.60 -0.21 0.35 -1.51 0.00 0.00 179.97 178.92 3g2k h PHE 311 N 0.56 1.09 0.00 2.20 3.57 -0.46 -3.08 116.94 120.82 3g2k h PHE 311 Ca 0.12 -0.26 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 3g2k h PHE 311 Cb 0.34 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3g2k h PHE 311 CO 0.01 1.07 -0.29 0.87 -2.23 0.00 0.00 178.31 177.74 3g2k h LYS 312 N 0.83 0.00 -1.32 1.11 1.57 -0.75 -3.17 116.57 114.83 3g2k h LYS 312 Ca 0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.48 3g2k h LYS 312 Cb 0.78 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.91 3g2k h LYS 312 CO 0.06 0.29 0.52 0.43 -0.57 0.00 0.00 179.45 180.19 3g2k n SER 313 N -3.50 6.32 -0.03 0.86 7.64 -0.94 -4.98 113.62 118.99 3g2k n SER 313 Ca -0.00 -3.22 -0.00 0.00 1.01 0.00 0.00 58.87 56.65 3g2k n SER 313 Cb 0.45 -0.99 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3g2k n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g2k h SER 314 N 1.47 -0.03 0.00 6.43 0.02 -1.68 -3.49 113.55 116.27 3g2k h SER 314 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3g2k h SER 314 Cb 1.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3g2k h SER 314 CO 0.95 0.40 0.00 0.41 -1.14 0.00 0.00 176.83 177.45 3g2k n THR 324 N -4.42 0.00 -3.27 -2.27 -1.04 -1.26 -5.05 114.28 96.97 3g2k n THR 324 Ca -0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 3g2k n THR 324 Cb 0.01 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.45 3g2k n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3g2k s ASN 325 N 0.00 6.19 0.00 8.00 3.04 -1.26 -4.92 114.94 125.99 3g2k s ASN 325 Ca 0.00 -1.11 0.29 0.00 0.04 0.00 0.00 52.86 52.09 3g2k s ASN 325 Cb 0.00 -2.24 1.34 0.00 -1.54 0.00 0.00 41.25 38.81 3g2k s ASN 325 CO 0.00 -0.78 1.91 0.49 -3.04 0.00 0.00 177.10 175.68 3g2k n PHE 326 N 5.72 0.00 0.12 0.43 3.72 -1.26 -3.66 117.46 122.52 3g2k n PHE 326 Ca -0.09 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.35 3g2k n PHE 326 Cb 0.45 -0.01 0.46 0.00 -0.94 0.00 0.00 39.48 39.43 3g2k n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3g2k h ASP 327 N 1.46 0.24 0.33 4.37 5.19 -1.98 -2.01 116.42 124.02 3g2k h ASP 327 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3g2k h ASP 327 Cb 0.33 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3g2k h ASP 327 CO 0.00 0.28 -0.13 0.00 -3.12 0.00 0.00 179.24 176.27 3g2k n ALA 328 N -2.50 2.81 -0.04 3.45 0.00 -1.24 -4.32 120.51 118.67 3g2k n ALA 328 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 3g2k n ALA 328 Cb 0.17 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3g2k n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3g2k h PHE 329 N 0.70 -0.59 0.00 0.00 3.04 -1.57 -1.29 116.94 117.23 3g2k h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3g2k h PHE 329 Cb 0.38 0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.19 3g2k h PHE 329 CO 0.00 -0.30 0.00 -1.35 -2.02 0.00 0.00 178.31 174.64 3g2k h PRO 330 N -0.24 0.00 0.00 6.41 0.11 -1.78 -0.04 132.00 136.46 3g2k h PRO 330 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3g2k h PRO 330 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3g2k h PRO 330 CO -0.36 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 176.99 3g2k h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.51 -3.34 116.42 112.84 3g2k h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g2k h ASP 331 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3g2k h ASP 331 CO 0.00 0.00 -0.33 0.29 -1.72 0.00 0.00 179.24 177.48 3g2k n LYS 332 N -3.07 4.81 -4.04 3.56 4.76 -0.62 -4.53 118.16 119.03 3g2k n LYS 332 Ca 0.03 -0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.28 3g2k n LYS 332 Cb 0.46 -0.79 -0.16 0.00 -1.84 0.00 0.00 35.03 32.70 3g2k n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g2k s VAL 333 N -1.58 0.38 -0.07 -0.18 1.01 -0.13 -0.63 120.40 119.20 3g2k s VAL 333 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3g2k s VAL 333 Cb 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3g2k s VAL 333 CO 0.23 0.20 -0.23 0.00 0.00 0.00 0.00 175.10 175.29 3g2k s ALA 334 N 1.03 2.06 -0.22 5.51 0.00 -0.11 -4.53 121.76 125.51 3g2k s ALA 334 Ca -0.09 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3g2k s ALA 334 Cb -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.32 3g2k s ALA 334 CO -0.01 0.36 -0.12 0.42 0.00 0.00 0.00 175.76 176.41 3g2k s ILE 335 N 0.01 2.55 -0.25 0.00 1.01 -0.33 0.08 121.20 124.27 3g2k s ILE 335 Ca -0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 3g2k s ILE 335 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 3g2k s ILE 335 CO 0.05 0.35 0.15 -1.58 0.00 0.00 0.00 174.94 173.91 3g2k s GLN 336 N 1.31 3.97 -0.37 2.79 2.00 0.19 -1.50 119.66 128.06 3g2k s GLN 336 Ca 0.02 -0.32 -0.18 0.00 -2.00 0.00 0.00 55.36 52.88 3g2k s GLN 336 Cb -0.15 -3.52 0.00 0.00 0.80 0.00 0.00 33.01 30.14 3g2k s GLN 336 CO -0.08 -0.03 0.50 -0.51 -0.50 0.00 0.00 175.29 174.67 3g2k s LEU 337 N 1.30 4.44 -0.92 3.68 1.43 0.36 -1.37 118.68 127.59 3g2k s LEU 337 Ca 0.07 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.76 3g2k s LEU 337 Cb -0.14 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.57 3g2k s LEU 337 CO 0.06 -0.50 1.42 0.21 0.23 0.00 0.00 176.35 177.77 3g2k s ASN 338 N 1.78 6.33 0.76 2.29 2.47 -0.75 -1.98 114.94 125.83 3g2k s ASN 338 Ca 0.17 -1.09 0.00 0.00 0.42 0.00 0.00 52.86 52.37 3g2k s ASN 338 Cb -0.16 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 3g2k s ASN 338 CO 0.14 -1.67 0.00 -0.67 -3.72 0.00 0.00 177.10 171.18 3g2k n ASP 339 N 9.29 -3.00 -0.25 -4.21 2.03 -0.39 -4.09 116.55 115.94 3g2k n ASP 339 Ca 0.24 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.69 3g2k n ASP 339 Cb 0.50 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.43 3g2k n ASP 339 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3g2k n THR 340 N -0.49 0.00 -0.33 5.18 -2.24 -1.26 -4.37 114.28 110.77 3g2k n THR 340 Ca 0.00 -0.13 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3g2k n THR 340 Cb 0.00 0.21 0.19 0.00 -2.10 0.00 0.00 70.33 68.64 3g2k n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3g2k h HIS 341 N 1.22 1.02 -0.79 4.78 3.86 -1.96 0.10 115.15 123.38 3g2k h HIS 341 Ca 0.00 0.03 -0.39 0.00 -1.16 0.00 0.00 60.37 58.85 3g2k h HIS 341 Cb 0.43 -0.32 -0.23 0.00 1.06 0.00 0.00 27.41 28.34 3g2k h HIS 341 CO 0.00 0.44 0.50 -0.35 0.86 0.00 0.00 177.93 179.37 3g2k n PRO 342 N -4.65 2.20 0.32 2.45 -0.04 -1.26 -4.65 135.00 129.36 3g2k n PRO 342 Ca 0.16 -2.47 0.20 0.00 -0.04 0.00 0.00 63.50 61.34 3g2k n PRO 342 Cb 0.29 -1.98 1.07 0.00 -0.04 0.00 0.00 33.50 32.83 3g2k n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g2k h SER 343 N 1.02 0.00 0.33 3.54 4.64 -1.05 -1.94 113.55 120.08 3g2k h SER 343 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3g2k h SER 343 Cb 2.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.56 3g2k h SER 343 CO 0.87 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 177.02 3g2k n LEU 344 N -3.34 0.15 -0.15 5.97 4.77 -1.26 -2.04 117.00 121.10 3g2k n LEU 344 Ca -0.03 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3g2k n LEU 344 Cb 0.10 -0.54 0.47 0.00 -2.33 0.00 0.00 43.42 41.12 3g2k n LEU 344 CO 0.23 -0.44 1.20 0.00 -1.33 0.00 0.00 177.39 177.06 3g2k h ALA 345 N 2.26 2.01 0.73 -1.18 0.00 -1.71 -0.52 119.26 120.85 3g2k h ALA 345 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3g2k h ALA 345 Cb 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3g2k h ALA 345 CO 0.00 -0.18 -0.35 0.82 0.00 0.00 0.00 179.25 179.54 3g2k h ILE 346 N 0.48 0.00 0.00 0.00 2.04 -1.66 0.18 117.51 118.54 3g2k h ILE 346 Ca 0.34 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 3g2k h ILE 346 Cb 0.66 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3g2k h ILE 346 CO -0.11 0.00 -0.20 1.55 0.00 0.00 0.00 178.15 179.39 3g2k h PRO 347 N -1.19 0.00 -0.39 2.37 0.13 -1.74 -2.42 132.00 128.77 3g2k h PRO 347 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 3g2k h PRO 347 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3g2k h PRO 347 CO 0.17 0.20 -0.21 1.49 -0.23 0.00 0.00 178.00 179.42 3g2k h GLU 348 N 0.00 0.83 -0.58 0.86 4.57 -1.07 0.20 114.58 119.39 3g2k h GLU 348 Ca -0.00 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 3g2k h GLU 348 Cb 0.62 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 3g2k h GLU 348 CO 0.03 1.00 0.33 1.25 -1.18 0.00 0.00 179.01 180.44 3g2k h LEU 349 N 0.63 0.71 -0.39 1.64 5.85 -0.82 -1.54 115.31 121.40 3g2k h LEU 349 Ca 0.08 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3g2k h LEU 349 Cb 0.77 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3g2k h LEU 349 CO 0.06 0.59 0.23 0.24 -0.34 0.00 0.00 178.44 179.21 3g2k h MET 350 N 0.78 0.45 -0.11 1.25 2.86 -1.35 -1.30 114.93 117.52 3g2k h MET 350 Ca 0.21 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 3g2k h MET 350 Cb 0.02 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3g2k h MET 350 CO -0.04 0.30 -0.19 -0.09 1.06 0.00 0.00 176.91 177.95 3g2k h ARG 351 N 0.46 -0.24 0.11 1.72 2.43 -0.71 0.63 114.38 118.78 3g2k h ARG 351 Ca 0.16 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3g2k h ARG 351 Cb 0.01 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3g2k h ARG 351 CO -0.08 -0.16 -0.07 0.28 -1.51 0.00 0.00 179.97 178.43 3g2k h VAL 352 N -0.25 0.85 -0.83 0.20 2.07 -1.15 0.31 116.25 117.45 3g2k h VAL 352 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3g2k h VAL 352 Cb 0.39 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3g2k h VAL 352 CO -0.26 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.63 3g2k h LEU 353 N -0.18 1.11 0.00 2.57 3.38 -1.04 -0.72 115.31 120.44 3g2k h LEU 353 Ca -0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3g2k h LEU 353 Cb 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3g2k h LEU 353 CO 0.01 0.96 -0.34 0.58 0.09 0.00 0.00 178.44 179.73 3g2k h VAL 354 N 1.19 0.98 0.02 1.22 2.07 -0.80 0.21 116.25 121.15 3g2k h VAL 354 Ca 0.28 -1.85 -0.21 0.00 0.82 0.00 0.00 66.70 65.74 3g2k h VAL 354 Cb 0.16 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3g2k h VAL 354 CO -0.03 0.33 -0.99 0.44 0.02 0.00 0.00 177.57 177.34 3g2k h ASP 355 N -1.00 0.10 0.00 0.57 3.45 -0.48 -3.04 116.42 116.03 3g2k h ASP 355 Ca -0.08 -0.10 -0.22 0.00 0.43 0.00 0.00 57.03 57.06 3g2k h ASP 355 Cb 0.78 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.48 3g2k h ASP 355 CO -0.05 1.03 -1.83 0.18 -1.57 0.00 0.00 179.24 177.00 3g2k n LEU 356 N -3.46 2.83 -0.01 1.55 4.77 -0.59 -4.60 117.00 117.50 3g2k n LEU 356 Ca -0.02 -0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3g2k n LEU 356 Cb 0.91 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 41.67 3g2k n LEU 356 CO 0.48 0.72 0.30 -0.62 -1.33 0.00 0.00 177.39 176.94 3g2k n GLU 357 N -2.90 0.04 -2.43 3.23 -0.58 -0.38 -4.98 120.64 112.64 3g2k n GLU 357 Ca -0.25 -0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.30 3g2k n GLU 357 Cb 0.78 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 3g2k n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3g2k n ARG 358 N -1.45 -1.86 -2.65 3.49 5.12 -0.82 -4.96 116.66 113.53 3g2k n ARG 358 Ca 0.05 0.70 -0.33 0.00 -1.93 0.00 0.00 57.85 56.35 3g2k n ARG 358 Cb 0.34 -5.03 -0.05 0.00 -1.16 0.00 0.00 32.46 26.55 3g2k n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g2k s LEU 359 N -4.47 3.85 0.64 0.55 1.02 -0.00 -4.99 118.68 115.28 3g2k s LEU 359 Ca 0.06 1.74 -0.15 0.00 0.02 0.00 0.00 54.13 55.80 3g2k s LEU 359 Cb -0.03 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.63 3g2k s LEU 359 CO 0.08 -0.54 1.09 1.51 0.02 0.00 0.00 176.35 178.51 3g2k s ASP 360 N -2.28 5.34 0.12 2.29 -4.77 -1.26 -4.38 116.67 111.74 3g2k s ASP 360 Ca 0.63 1.92 -0.30 0.00 -3.30 0.00 0.00 52.55 51.51 3g2k s ASP 360 Cb -0.11 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.10 3g2k s ASP 360 CO 0.18 -1.47 1.59 -0.25 0.70 0.00 0.00 175.17 175.93 3g2k h TRP 361 N 0.14 -1.15 -0.97 2.11 2.91 -1.97 -1.76 115.95 115.26 3g2k h TRP 361 Ca -0.47 0.04 0.09 0.00 1.13 0.00 0.00 58.89 59.68 3g2k h TRP 361 Cb 1.24 0.50 -0.07 0.00 -0.51 0.00 0.00 29.16 30.32 3g2k h TRP 361 CO 0.56 -0.48 0.62 -0.44 -1.03 0.00 0.00 178.44 177.67 3g2k h ASP 362 N -0.56 0.93 -0.17 2.65 3.45 -1.99 -0.10 116.42 120.63 3g2k h ASP 362 Ca 0.05 0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 3g2k h ASP 362 Cb 0.64 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3g2k h ASP 362 CO -0.31 0.55 -0.31 0.50 -1.57 0.00 0.00 179.24 178.10 3g2k h LYS 363 N 1.03 0.51 -0.80 3.56 1.63 -1.89 -2.30 116.57 118.31 3g2k h LYS 363 Ca 0.45 -0.32 0.06 0.00 -0.85 0.00 0.00 60.65 59.98 3g2k h LYS 363 Cb 0.35 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.96 3g2k h LYS 363 CO -0.20 0.93 0.49 0.00 -3.45 0.00 0.00 179.45 177.21 3g2k h ALA 364 N 0.58 1.08 -0.46 5.00 0.00 -0.60 -2.09 119.26 122.77 3g2k h ALA 364 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3g2k h ALA 364 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3g2k h ALA 364 CO 0.07 0.22 0.13 2.35 0.00 0.00 0.00 179.25 182.02 3g2k h TRP 365 N 0.90 0.75 -0.45 0.00 2.91 -1.01 -0.59 115.95 118.47 3g2k h TRP 365 Ca 0.34 -0.08 0.06 0.00 1.13 0.00 0.00 58.89 60.34 3g2k h TRP 365 Cb 0.15 -0.22 -0.05 0.00 -0.51 0.00 0.00 29.16 28.53 3g2k h TRP 365 CO -0.04 0.68 0.16 1.49 -1.03 0.00 0.00 178.44 179.70 3g2k h GLU 366 N 0.61 0.32 -0.18 2.65 4.81 -1.12 -0.61 114.58 121.05 3g2k h GLU 366 Ca 0.15 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3g2k h GLU 366 Cb 0.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3g2k h GLU 366 CO -0.00 0.21 0.09 0.28 -0.73 0.00 0.00 179.01 178.85 3g2k h VAL 367 N 0.33 1.13 0.04 0.32 2.07 -1.12 -2.13 116.25 116.89 3g2k h VAL 367 Ca 0.21 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3g2k h VAL 367 Cb 0.21 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3g2k h VAL 367 CO -0.22 0.13 -0.14 0.74 0.02 0.00 0.00 177.57 178.10 3g2k h THR 368 N 0.17 0.67 -0.35 2.57 2.02 -0.80 -1.39 112.91 115.79 3g2k h THR 368 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3g2k h THR 368 Cb 0.12 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3g2k h THR 368 CO -0.01 0.00 0.18 0.58 0.37 0.00 0.00 175.52 176.64 3g2k h VAL 369 N -0.25 0.99 0.00 3.16 2.07 -1.08 -1.21 116.25 119.92 3g2k h VAL 369 Ca 0.03 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3g2k h VAL 369 Cb 0.29 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3g2k h VAL 369 CO -0.10 0.07 -0.00 0.11 0.02 0.00 0.00 177.57 177.66 3g2k h LYS 370 N 0.37 0.00 0.14 1.57 1.57 -1.19 -2.21 116.57 116.82 3g2k h LYS 370 Ca 0.15 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.58 3g2k h LYS 370 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3g2k h LYS 370 CO -0.10 0.00 -1.81 1.15 -0.57 0.00 0.00 179.45 178.12 3g2k h THR 371 N 0.00 0.84 -3.01 -0.16 2.02 -0.40 -3.47 112.91 108.74 3g2k h THR 371 Ca -0.00 -2.51 -0.61 0.00 0.77 0.00 0.00 66.41 64.06 3g2k h THR 371 Cb 0.37 2.63 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 3g2k h THR 371 CO 0.00 0.84 -0.29 0.00 0.37 0.00 0.00 175.52 176.44 3g2k s ALA 373 N -1.29 0.07 -0.06 0.00 0.00 -0.56 -1.87 121.76 118.05 3g2k s ALA 373 Ca 0.29 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3g2k s ALA 373 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3g2k s ALA 373 CO 0.16 -0.15 -0.14 -0.47 0.00 0.00 0.00 175.76 175.15 3g2k s TYR 374 N -1.35 1.60 -0.20 0.00 6.04 -0.44 -0.49 117.35 122.52 3g2k s TYR 374 Ca -0.15 -0.56 -0.03 0.00 0.04 0.00 0.00 57.07 56.37 3g2k s TYR 374 Cb -0.09 -1.13 -0.01 0.00 -1.04 0.00 0.00 41.96 39.69 3g2k s TYR 374 CO -0.01 -0.25 -0.06 0.99 -1.54 0.00 0.00 175.55 174.68 3g2k s THR 375 N 0.45 3.38 0.01 4.34 2.01 -0.84 -1.62 115.64 123.36 3g2k s THR 375 Ca -0.12 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 3g2k s THR 375 Cb -0.15 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3g2k s THR 375 CO 0.04 0.45 0.36 0.21 -0.69 0.00 0.00 174.62 174.99 3g2k s ASN 376 N 1.13 6.69 0.00 3.53 3.84 -0.64 -1.26 114.94 128.23 3g2k s ASN 376 Ca 0.01 0.83 0.00 0.00 0.21 0.00 0.00 52.86 53.91 3g2k s ASN 376 Cb -0.15 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 3g2k s ASN 376 CO -0.01 0.29 0.66 1.41 -2.79 0.00 0.00 177.10 176.67 3g2k n HIS 377 N 1.55 0.00 -3.54 0.43 8.25 -1.26 -4.24 115.22 116.42 3g2k n HIS 377 Ca -0.13 -0.21 -0.13 0.00 -0.26 0.00 0.00 57.72 56.99 3g2k n HIS 377 Cb 0.53 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3g2k n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3g2k s THR 378 N -0.42 0.00 -0.72 1.59 -1.32 -1.26 -4.60 115.64 108.91 3g2k s THR 378 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 3g2k s THR 378 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3g2k s THR 378 CO 0.00 0.00 0.62 1.33 -2.21 0.00 0.00 174.62 174.36 3g2k n VAL 379 N 0.59 0.00 -2.00 5.08 0.24 -1.26 -5.00 118.33 115.98 3g2k n VAL 379 Ca -0.13 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.27 3g2k n VAL 379 Cb 0.59 1.11 -0.03 0.00 -1.47 0.00 0.00 33.84 34.04 3g2k n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g2k s LEU 380 N -0.89 4.35 0.38 1.34 1.43 -1.26 -4.90 118.68 119.13 3g2k s LEU 380 Ca 0.07 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.63 3g2k s LEU 380 Cb 0.05 -3.56 0.79 0.00 0.03 0.00 0.00 46.19 43.51 3g2k s LEU 380 CO 0.11 -0.85 1.99 1.55 0.23 0.00 0.00 176.35 179.38 3g2k h PRO 381 N 8.25 0.66 0.00 1.29 0.13 -1.98 -1.45 132.00 138.90 3g2k h PRO 381 Ca -0.41 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3g2k h PRO 381 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3g2k h PRO 381 CO 0.92 0.44 0.00 -0.85 -0.23 0.00 0.00 178.00 178.28 3g2k n GLU 382 N -4.47 0.24 0.00 0.86 0.00 -1.26 -2.79 120.64 113.21 3g2k n GLU 382 Ca 0.09 0.10 0.10 0.00 0.00 0.00 0.00 57.16 57.44 3g2k n GLU 382 Cb 0.20 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.14 3g2k n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3g2k n ALA 383 N -1.33 3.31 -2.38 -1.84 0.00 -0.55 -1.34 120.51 116.38 3g2k n ALA 383 Ca 0.09 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 3g2k n ALA 383 Cb 0.18 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 3g2k n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g2k s LEU 384 N -2.25 4.46 -0.27 0.00 1.43 -1.12 -4.48 118.68 116.44 3g2k s LEU 384 Ca 0.17 1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 54.50 3g2k s LEU 384 Cb 0.16 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 43.09 3g2k s LEU 384 CO 0.48 -0.01 1.04 -1.61 0.23 0.00 0.00 176.35 176.49 3g2k s GLU 385 N -0.01 4.17 -0.33 1.70 2.02 -1.26 -4.84 118.70 120.15 3g2k s GLU 385 Ca 0.40 1.21 -0.01 0.00 0.02 0.00 0.00 54.97 56.60 3g2k s GLU 385 Cb -0.21 -3.68 0.11 0.00 0.10 0.00 0.00 34.13 30.45 3g2k s GLU 385 CO 0.24 -0.74 0.12 1.03 0.02 0.00 0.00 175.26 175.94 3g2k s ARG 386 N 3.36 0.75 -0.11 1.61 0.52 -1.26 -1.71 118.95 122.11 3g2k s ARG 386 Ca 0.44 -1.18 -0.22 0.00 -0.52 0.00 0.00 55.73 54.25 3g2k s ARG 386 Cb -0.14 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 3g2k s ARG 386 CO 0.10 -1.03 0.66 -1.58 0.02 0.00 0.00 175.30 173.47 3g2k s TRP 387 N 1.45 3.51 0.16 -0.53 0.52 -0.64 -4.75 118.94 118.66 3g2k s TRP 387 Ca 0.11 1.12 -0.34 0.00 0.02 0.00 0.00 56.10 57.02 3g2k s TRP 387 Cb -0.18 -2.78 -0.14 0.00 -1.15 0.00 0.00 33.47 29.21 3g2k s TRP 387 CO -0.21 0.02 1.50 -2.30 0.02 0.00 0.00 176.95 175.97 3g2k n PRO 388 N 4.16 1.95 -0.36 4.98 -0.02 -1.26 -0.45 135.00 143.99 3g2k n PRO 388 Ca -0.02 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3g2k n PRO 388 Cb 0.51 -2.42 0.22 0.00 -0.02 0.00 0.00 33.50 31.79 3g2k n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g2k h VAL 389 N 3.44 0.96 -0.09 -1.45 2.07 -1.28 -2.34 116.25 117.56 3g2k h VAL 389 Ca -0.45 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3g2k h VAL 389 Cb 1.27 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3g2k h VAL 389 CO 0.84 0.19 -0.04 1.12 0.02 0.00 0.00 177.57 179.70 3g2k h HIS 390 N 1.04 0.13 -0.08 1.57 2.07 -1.91 0.10 115.15 118.08 3g2k h HIS 390 Ca 0.48 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.99 3g2k h HIS 390 Cb 0.41 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 30.35 3g2k h HIS 390 CO -0.00 0.18 0.00 -0.07 -3.07 0.00 0.00 177.93 174.97 3g2k h LEU 391 N 0.13 0.13 -1.17 6.12 3.38 -1.80 -2.85 115.31 119.25 3g2k h LEU 391 Ca 0.03 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3g2k h LEU 391 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3g2k h LEU 391 CO 0.01 0.39 -0.36 -0.07 0.09 0.00 0.00 178.44 178.50 3g2k h LEU 392 N -0.14 0.10 -0.44 1.67 3.38 -1.32 -1.35 115.31 117.21 3g2k h LEU 392 Ca 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3g2k h LEU 392 Cb 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3g2k h LEU 392 CO 0.00 0.46 0.19 -0.08 0.09 0.00 0.00 178.44 179.10 3g2k h GLU 393 N 0.08 0.65 0.02 1.13 4.81 -0.81 0.55 114.58 121.02 3g2k h GLU 393 Ca 0.01 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 3g2k h GLU 393 Cb 0.68 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.96 3g2k h GLU 393 CO 0.05 0.58 -0.42 1.15 -0.73 0.00 0.00 179.01 179.64 3g2k h THR 394 N 0.57 1.53 0.20 0.32 2.02 -1.40 -3.31 112.91 112.83 3g2k h THR 394 Ca 0.15 -2.11 -0.27 0.00 0.77 0.00 0.00 66.41 64.95 3g2k h THR 394 Cb 0.16 2.83 0.03 0.00 -1.74 0.00 0.00 68.15 69.43 3g2k h THR 394 CO -0.01 0.59 -1.23 0.25 0.37 0.00 0.00 175.52 175.49 3g2k h LEU 395 N -0.40 0.66 -5.97 2.58 5.85 -1.27 -3.37 115.31 113.38 3g2k h LEU 395 Ca -0.06 -0.93 -0.53 0.00 0.84 0.00 0.00 57.88 57.20 3g2k h LEU 395 Cb 1.19 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 41.61 3g2k h LEU 395 CO 0.08 1.59 -1.08 0.18 -0.34 0.00 0.00 178.44 178.87 3g2k n LEU 396 N -3.89 0.93 -0.22 2.25 4.77 0.17 -0.58 117.00 120.43 3g2k n LEU 396 Ca -0.17 -4.92 0.01 0.00 -0.03 0.00 0.00 56.01 50.90 3g2k n LEU 396 Cb 0.98 0.50 0.25 0.00 -2.33 0.00 0.00 43.42 42.83 3g2k n LEU 396 CO 0.54 2.17 1.24 1.55 -1.33 0.00 0.00 177.39 181.56 3g2k h PRO 397 N 3.58 0.97 -0.39 3.23 0.13 -1.63 -2.16 132.00 135.73 3g2k h PRO 397 Ca 0.09 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 3g2k h PRO 397 Cb 0.88 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3g2k h PRO 397 CO 0.52 0.64 -0.34 -0.09 -0.23 0.00 0.00 178.00 178.51 3g2k h ARG 398 N 1.00 0.90 -0.52 0.86 9.65 -1.91 -2.99 114.38 121.37 3g2k h ARG 398 Ca 0.29 -0.45 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 3g2k h ARG 398 Cb -0.06 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 3g2k h ARG 398 CO -0.07 1.10 0.12 0.45 2.80 0.00 0.00 179.97 184.36 3g2k h HIS 399 N 0.75 0.83 -0.53 2.20 3.86 -1.76 -1.98 115.15 118.52 3g2k h HIS 399 Ca 0.07 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3g2k h HIS 399 Cb 0.92 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 3g2k h HIS 399 CO 0.06 0.70 0.28 1.25 0.86 0.00 0.00 177.93 181.08 3g2k h LEU 400 N 0.77 0.67 -0.79 2.43 6.46 -1.40 0.35 115.31 123.80 3g2k h LEU 400 Ca 0.17 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3g2k h LEU 400 Cb 0.30 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3g2k h LEU 400 CO -0.00 0.58 0.51 1.56 -0.62 0.00 0.00 178.44 180.48 3g2k h GLN 401 N 0.70 1.00 -0.54 1.25 4.20 -1.34 -0.69 115.11 119.69 3g2k h GLN 401 Ca 0.18 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3g2k h GLN 401 Cb 0.07 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3g2k h GLN 401 CO -0.03 0.66 -0.11 0.82 -0.67 0.00 0.00 178.83 179.50 3g2k h ILE 402 N 1.02 1.27 -0.68 2.54 2.04 -1.03 -2.26 117.51 120.41 3g2k h ILE 402 Ca 0.30 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3g2k h ILE 402 Cb -0.06 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3g2k h ILE 402 CO -0.09 0.45 0.28 0.40 0.00 0.00 0.00 178.15 179.19 3g2k h ILE 403 N 0.91 1.24 -0.75 -0.67 2.04 -0.47 0.19 117.51 120.00 3g2k h ILE 403 Ca 0.14 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3g2k h ILE 403 Cb 0.67 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3g2k h ILE 403 CO 0.05 0.30 0.48 1.88 0.00 0.00 0.00 178.15 180.85 3g2k h TYR 404 N 0.97 0.97 -0.49 1.37 0.05 -0.99 -0.57 116.97 118.28 3g2k h TYR 404 Ca 0.23 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.91 3g2k h TYR 404 Cb 0.19 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 3g2k h TYR 404 CO 0.01 0.64 -0.11 1.49 -1.05 0.00 0.00 178.16 179.14 3g2k h GLU 405 N 1.03 0.93 -0.48 4.88 4.57 -1.05 -1.10 114.58 123.35 3g2k h GLU 405 Ca 0.27 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3g2k h GLU 405 Cb -0.07 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 3g2k h GLU 405 CO -0.05 1.01 0.26 0.82 -1.18 0.00 0.00 179.01 179.87 3g2k h ILE 406 N 0.78 1.00 -0.24 2.32 2.04 -0.73 -2.37 117.51 120.32 3g2k h ILE 406 Ca 0.12 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3g2k h ILE 406 Cb 0.66 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3g2k h ILE 406 CO 0.05 0.10 0.13 -1.13 0.00 0.00 0.00 178.15 177.29 3g2k h ASN 407 N 0.52 0.30 -0.02 1.72 -1.24 -0.82 -0.55 115.58 115.50 3g2k h ASN 407 Ca 0.20 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.14 3g2k h ASN 407 Cb 0.07 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3g2k h ASN 407 CO -0.12 0.31 -0.09 -0.61 -1.29 0.00 0.00 177.43 175.63 3g2k h GLN 408 N 0.28 -0.14 -0.62 6.67 4.15 -1.12 0.26 115.11 124.59 3g2k h GLN 408 Ca 0.08 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 3g2k h GLN 408 Cb 0.08 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3g2k h GLN 408 CO -0.01 -0.09 0.14 0.00 -1.93 0.00 0.00 178.83 176.94 3g2k h ARG 409 N -0.14 0.98 -0.34 1.69 3.08 -1.34 -1.34 114.38 116.96 3g2k h ARG 409 Ca 0.04 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3g2k h ARG 409 Cb 0.20 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3g2k h ARG 409 CO -0.10 0.88 0.00 0.35 -1.07 0.00 0.00 179.97 180.02 3g2k h PHE 410 N 0.94 0.65 0.00 3.04 3.57 -0.86 -2.85 116.94 121.42 3g2k h PHE 410 Ca 0.20 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 3g2k h PHE 410 Cb 0.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3g2k h PHE 410 CO 0.02 0.71 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.34 3g2k h LEU 411 N 0.40 0.00 -1.10 0.59 3.38 -0.78 -1.87 115.31 115.93 3g2k h LEU 411 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3g2k h LEU 411 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3g2k h LEU 411 CO 0.02 0.40 0.05 0.78 0.09 0.00 0.00 178.44 179.77 3g2k h ASN 412 N 0.00 0.64 -0.52 -0.43 -0.26 -1.18 -0.95 115.58 112.87 3g2k h ASN 412 Ca -0.00 -0.12 -0.10 0.00 -0.56 0.00 0.00 56.30 55.51 3g2k h ASN 412 Cb 0.75 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 3g2k h ASN 412 CO 0.05 0.68 -0.08 0.03 -1.06 0.00 0.00 177.43 177.05 3g2k h ARG 413 N 0.65 0.98 0.02 0.81 3.08 -1.14 -2.34 114.38 116.44 3g2k h ARG 413 Ca 0.14 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3g2k h ARG 413 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3g2k h ARG 413 CO 0.01 1.03 -0.01 0.28 -1.07 0.00 0.00 179.97 180.20 3g2k h VAL 414 N 0.85 1.10 -0.94 2.04 2.07 -1.15 -2.14 116.25 118.07 3g2k h VAL 414 Ca 0.14 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.42 3g2k h VAL 414 Cb 0.64 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.67 3g2k h VAL 414 CO 0.04 0.09 0.60 0.00 0.02 0.00 0.00 177.57 178.33 3g2k h ALA 415 N 0.78 1.66 -0.11 1.67 0.00 -1.18 0.14 119.26 122.22 3g2k h ALA 415 Ca -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3g2k h ALA 415 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g2k h ALA 415 CO 0.01 0.10 -0.58 0.00 0.00 0.00 0.00 179.25 178.78 3g2k h ALA 416 N 1.57 0.81 0.03 0.00 0.00 -1.30 -2.81 119.26 117.56 3g2k h ALA 416 Ca 0.47 -0.52 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 3g2k h ALA 416 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3g2k h ALA 416 CO -0.23 0.70 -1.22 0.00 0.00 0.00 0.00 179.25 178.50 3g2k h ALA 417 N 1.12 0.37 -2.08 0.00 0.00 -0.61 -3.39 119.26 114.67 3g2k h ALA 417 Ca -0.00 -1.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.31 3g2k h ALA 417 Cb 1.09 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 3g2k h ALA 417 CO 0.10 1.25 -0.90 1.19 0.00 0.00 0.00 179.25 180.88 3g2k n PHE 418 N -3.34 1.33 -1.77 0.00 3.72 0.38 -5.10 117.46 112.69 3g2k n PHE 418 Ca -0.06 -3.81 -0.41 0.00 -0.05 0.00 0.00 57.45 53.11 3g2k n PHE 418 Cb 0.98 -0.44 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 3g2k n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3g2k s PRO 419 N -1.84 4.11 0.00 -1.08 0.02 -1.06 -2.09 135.00 133.06 3g2k s PRO 419 Ca 0.38 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3g2k s PRO 419 Cb 0.18 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3g2k s PRO 419 CO -0.07 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3g2k n GLY 420 N 1.75 2.77 3.53 0.52 0.00 -1.26 -4.95 105.19 107.56 3g2k n GLY 420 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3g2k n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g2k n ASP 421 N 0.00 4.85 0.10 1.61 4.64 -0.89 -4.79 116.55 122.08 3g2k n ASP 421 Ca 0.00 -2.91 -0.02 0.00 -1.38 0.00 0.00 54.79 50.48 3g2k n ASP 421 Cb 0.00 -1.74 0.23 0.00 -1.04 0.00 0.00 41.12 38.56 3g2k n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3g2k h VAL 422 N 5.49 1.31 -0.01 5.18 -1.51 -1.92 -2.78 116.25 122.01 3g2k h VAL 422 Ca 0.45 -1.54 -0.13 0.00 -1.23 0.00 0.00 66.70 64.25 3g2k h VAL 422 Cb 0.86 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 3g2k h VAL 422 CO 1.48 0.46 -0.62 -0.78 -1.23 0.00 0.00 177.57 176.88 3g2k h ASP 423 N 0.18 0.04 -0.67 4.19 3.58 -2.00 -2.91 116.42 118.83 3g2k h ASP 423 Ca 0.01 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3g2k h ASP 423 Cb 0.82 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 3g2k h ASP 423 CO 0.06 0.65 0.32 -0.09 -2.88 0.00 0.00 179.24 177.30 3g2k h ARG 424 N 0.03 0.97 -0.40 0.28 2.43 -1.90 -1.23 114.38 114.55 3g2k h ARG 424 Ca -0.01 -0.14 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3g2k h ARG 424 Cb 1.10 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.42 3g2k h ARG 424 CO 0.08 0.77 0.06 -0.07 -1.51 0.00 0.00 179.97 179.30 3g2k h LEU 425 N 0.93 -0.03 -0.69 3.80 3.38 -1.37 -0.06 115.31 121.27 3g2k h LEU 425 Ca 0.23 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3g2k h LEU 425 Cb 0.12 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3g2k h LEU 425 CO -0.03 0.02 -0.63 0.08 0.09 0.00 0.00 178.44 177.98 3g2k h ARG 426 N 0.18 0.11 -0.27 1.13 -0.00 -1.36 -2.41 114.38 111.76 3g2k h ARG 426 Ca 0.19 -0.08 -0.11 0.00 -0.00 0.00 0.00 59.98 59.99 3g2k h ARG 426 Cb 0.25 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 3g2k h ARG 426 CO -0.27 0.70 -0.31 0.00 -0.00 0.00 0.00 179.97 180.09 3g2k h ARG 427 N 0.08 0.56 0.00 0.08 3.08 -0.72 -3.27 114.38 114.19 3g2k h ARG 427 Ca -0.01 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3g2k h ARG 427 Cb 1.12 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3g2k h ARG 427 CO 0.09 0.80 -0.84 -1.33 -1.07 0.00 0.00 179.97 177.62 3g2k n MET 428 N -4.08 0.17 -1.67 0.04 2.81 -0.08 -4.97 117.12 109.33 3g2k n MET 428 Ca -0.01 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.48 3g2k n MET 428 Cb 0.45 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3g2k n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3g2k n SER 429 N -1.78 2.12 0.20 7.83 2.88 -0.91 -4.89 113.62 119.07 3g2k n SER 429 Ca 0.03 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.73 3g2k n SER 429 Cb 0.39 -1.46 0.27 0.00 -0.75 0.00 0.00 64.21 62.67 3g2k n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3g2k h LEU 430 N 1.84 0.00 -8.92 2.46 3.38 -1.91 -3.42 115.31 108.74 3g2k h LEU 430 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 3g2k h LEU 430 Cb 1.31 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 3g2k h LEU 430 CO 0.59 0.26 -0.31 -0.69 0.09 0.00 0.00 178.44 178.38 3g2k s VAL 431 N -3.33 5.21 -0.18 1.22 1.01 -1.26 -0.48 120.40 122.58 3g2k s VAL 431 Ca 0.03 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3g2k s VAL 431 Cb 0.08 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3g2k s VAL 431 CO 0.67 0.17 0.42 -1.61 0.00 0.00 0.00 175.10 174.75 3g2k s GLU 432 N 1.99 4.21 0.44 2.72 2.02 0.11 -4.97 118.70 125.22 3g2k s GLU 432 Ca 0.13 0.26 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 3g2k s GLU 432 Cb -0.16 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 3g2k s GLU 432 CO 0.10 0.00 0.77 -1.21 0.02 0.00 0.00 175.26 174.94 3g2k s GLU 433 N 1.18 3.65 0.00 1.61 8.01 -1.26 -1.71 118.70 130.17 3g2k s GLU 433 Ca 0.21 0.31 0.00 0.00 0.01 0.00 0.00 54.97 55.50 3g2k s GLU 433 Cb -0.15 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.28 3g2k s GLU 433 CO 0.08 -0.12 0.00 0.41 0.01 0.00 0.00 175.26 175.64 3g2k n GLY 434 N -1.80 -0.73 0.27 -1.39 0.00 -1.26 -4.93 105.19 95.35 3g2k n GLY 434 Ca 0.01 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 3g2k n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2k h ALA 435 N 0.00 -0.03 -3.30 4.61 0.00 -2.07 -3.37 119.26 115.10 3g2k h ALA 435 Ca 0.00 0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.36 3g2k h ALA 435 Cb 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 17.79 18.02 3g2k h ALA 435 CO 0.00 -0.62 -0.78 0.14 0.00 0.00 0.00 179.25 177.98 3g2k s VAL 436 N -6.10 2.89 0.20 0.00 -7.23 -1.26 -5.11 120.40 103.80 3g2k s VAL 436 Ca -0.15 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 3g2k s VAL 436 Cb 0.13 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 3g2k s VAL 436 CO 0.69 0.52 1.19 -0.54 -0.31 0.00 0.00 175.10 176.65 3g2k s LYS 437 N 0.44 4.51 0.15 4.82 1.02 -1.26 -4.84 119.74 124.57 3g2k s LYS 437 Ca -0.11 1.88 0.06 0.00 0.02 0.00 0.00 55.97 57.82 3g2k s LYS 437 Cb -0.16 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3g2k s LYS 437 CO 0.05 -0.05 -0.14 1.03 -0.92 0.00 0.00 175.35 175.32 3g2k s ARG 438 N -0.48 1.13 -0.23 1.68 0.52 -0.69 -0.75 118.95 120.13 3g2k s ARG 438 Ca 0.51 -1.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.26 3g2k s ARG 438 Cb -0.33 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 3g2k s ARG 438 CO 0.38 0.18 0.13 0.42 0.02 0.00 0.00 175.30 176.42 3g2k s ILE 439 N -2.49 5.08 -0.52 1.52 -1.09 0.41 0.09 121.20 124.20 3g2k s ILE 439 Ca 0.14 0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.37 3g2k s ILE 439 Cb -0.03 -3.35 0.03 0.00 -1.58 0.00 0.00 42.46 37.53 3g2k s ILE 439 CO 0.04 0.37 1.05 0.21 -1.23 0.00 0.00 174.94 175.38 3g2k s ASN 440 N 1.01 6.47 0.37 3.58 3.84 0.37 -1.62 114.94 128.97 3g2k s ASN 440 Ca 0.06 0.08 0.17 0.00 0.21 0.00 0.00 52.86 53.38 3g2k s ASN 440 Cb -0.14 -2.50 0.72 0.00 -0.55 0.00 0.00 41.25 38.79 3g2k s ASN 440 CO 0.04 -1.26 1.77 0.24 -2.79 0.00 0.00 177.10 175.10 3g2k h MET 441 N 9.30 0.00 -0.63 0.43 2.86 -1.65 -2.40 114.93 122.84 3g2k h MET 441 Ca -0.25 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 3g2k h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3g2k h MET 441 CO 1.11 0.38 0.06 0.00 1.06 0.00 0.00 176.91 179.52 3g2k h ALA 442 N 1.62 0.85 -0.58 6.32 0.00 -1.91 -1.38 119.26 124.17 3g2k h ALA 442 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3g2k h ALA 442 Cb 0.82 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3g2k h ALA 442 CO 0.05 0.65 0.05 0.45 0.00 0.00 0.00 179.25 180.45 3g2k h HIS 443 N 0.99 1.07 -0.39 0.00 3.86 -1.87 -2.11 115.15 116.70 3g2k h HIS 443 Ca 0.19 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 3g2k h HIS 443 Cb 0.50 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.64 3g2k h HIS 443 CO 0.04 0.94 0.11 1.25 0.86 0.00 0.00 177.93 181.13 3g2k h LEU 444 N 0.88 0.09 -0.57 2.43 6.46 -1.25 -2.22 115.31 121.13 3g2k h LEU 444 Ca 0.17 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3g2k h LEU 444 Cb 0.48 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 3g2k h LEU 444 CO 0.02 0.08 0.30 0.00 -0.62 0.00 0.00 178.44 178.22 3g2k h ILE 446 N 0.78 1.17 -0.70 0.00 2.04 -1.26 -2.16 117.51 117.37 3g2k h ILE 446 Ca 0.20 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3g2k h ILE 446 Cb 0.08 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3g2k h ILE 446 CO -0.03 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.68 3g2k h ALA 447 N 0.93 0.96 -0.64 1.87 0.00 -1.31 -3.10 119.26 117.98 3g2k h ALA 447 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g2k h ALA 447 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g2k h ALA 447 CO -0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3g2k n GLY 448 N -1.30 2.73 3.29 0.00 0.00 -0.81 -4.93 105.19 104.17 3g2k n GLY 448 Ca 0.10 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 3g2k n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g2k s SER 449 N -0.86 2.68 0.08 1.61 0.01 -0.82 -3.96 113.70 112.43 3g2k s SER 449 Ca 0.52 -0.59 0.27 0.00 1.31 0.00 0.00 55.95 57.46 3g2k s SER 449 Cb 0.34 -0.21 0.83 0.00 0.21 0.00 0.00 66.02 67.20 3g2k s SER 449 CO 0.23 0.16 1.69 0.00 0.41 0.00 0.00 173.24 175.73 3g2k n HIS 450 N 1.60 0.37 -3.77 2.43 1.44 -0.78 -4.84 115.22 111.67 3g2k n HIS 450 Ca -0.18 0.11 -0.13 0.00 -2.01 0.00 0.00 57.72 55.52 3g2k n HIS 450 Cb 0.53 -0.62 -0.12 0.00 0.12 0.00 0.00 29.99 29.90 3g2k n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3g2k s ALA 451 N -3.06 -0.58 -0.08 1.59 0.00 -1.26 -4.56 121.76 113.81 3g2k s ALA 451 Ca 0.11 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3g2k s ALA 451 Cb 0.16 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3g2k s ALA 451 CO 0.61 -0.14 -0.11 0.08 0.00 0.00 0.00 175.76 176.20 3g2k s VAL 452 N 0.51 1.10 0.04 0.00 1.01 0.34 -1.32 120.40 122.07 3g2k s VAL 452 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3g2k s VAL 452 Cb -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3g2k s VAL 452 CO -0.03 0.36 -0.13 0.54 0.00 0.00 0.00 175.10 175.84 3g2k s ASN 453 N 1.02 1.59 0.66 3.32 4.22 -0.64 -0.39 114.94 124.72 3g2k s ASN 453 Ca -0.08 -0.48 0.03 0.00 -2.14 0.00 0.00 52.86 50.19 3g2k s ASN 453 Cb -0.15 -0.09 0.11 0.00 1.28 0.00 0.00 41.25 42.40 3g2k s ASN 453 CO -0.01 0.00 0.91 -0.83 -2.04 0.00 0.00 177.10 175.13 3g2k s GLY 454 N -1.24 1.76 0.00 0.45 0.00 -1.09 -1.61 107.32 105.59 3g2k s GLY 454 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 44.72 42.96 3g2k s GLY 454 CO 0.01 -1.32 1.06 3.33 0.00 0.00 0.00 173.10 176.18 3g2k n VAL 455 N -2.60 0.82 -3.53 1.40 0.24 -1.26 -2.02 118.33 111.37 3g2k n VAL 455 Ca 0.15 -0.91 -0.12 0.00 -2.04 0.00 0.00 64.34 61.42 3g2k n VAL 455 Cb 0.61 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 3g2k n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g2k s ALA 456 N -0.91 -1.84 0.20 2.33 0.00 -1.26 -1.04 121.76 119.24 3g2k s ALA 456 Ca 0.12 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3g2k s ALA 456 Cb 0.07 -0.14 0.25 0.00 0.00 0.00 0.00 23.12 23.29 3g2k s ALA 456 CO 0.09 -0.45 1.73 -0.09 0.00 0.00 0.00 175.76 177.04 3g2k h ARG 457 N 2.50 0.31 -0.32 0.00 2.43 -1.90 -0.02 114.38 117.39 3g2k h ARG 457 Ca -0.23 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.83 3g2k h ARG 457 Cb 1.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3g2k h ARG 457 CO 0.34 0.21 -0.18 0.97 -1.51 0.00 0.00 179.97 179.79 3g2k h ILE 458 N 0.32 1.25 -0.17 1.20 2.10 -1.91 -1.96 117.51 118.34 3g2k h ILE 458 Ca 0.29 -1.18 -0.04 0.00 1.08 0.00 0.00 64.86 65.00 3g2k h ILE 458 Cb 0.38 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 3g2k h ILE 458 CO -0.33 0.39 -0.05 -0.74 -1.08 0.00 0.00 178.15 176.34 3g2k h HIS 459 N 0.52 0.38 -0.43 2.19 2.76 -1.45 -0.93 115.15 118.20 3g2k h HIS 459 Ca 0.09 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3g2k h HIS 459 Cb 0.61 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 3g2k h HIS 459 CO 0.02 0.61 0.14 0.77 -1.30 0.00 0.00 177.93 178.17 3g2k h SER 460 N 0.04 0.58 -0.32 3.26 0.02 -0.93 -1.13 113.55 115.07 3g2k h SER 460 Ca 0.04 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3g2k h SER 460 Cb 0.49 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3g2k h SER 460 CO 0.02 0.55 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.80 3g2k h GLU 461 N 0.62 0.66 -0.99 3.45 4.39 -1.27 -2.81 114.58 118.63 3g2k h GLU 461 Ca 0.15 -0.28 0.08 0.00 0.34 0.00 0.00 59.36 59.65 3g2k h GLU 461 Cb 0.19 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 3g2k h GLU 461 CO -0.01 0.87 0.64 0.82 -1.16 0.00 0.00 179.01 180.17 3g2k h ILE 462 N 0.43 1.04 -0.69 3.13 2.04 -0.71 -1.03 117.51 121.71 3g2k h ILE 462 Ca 0.07 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3g2k h ILE 462 Cb 0.66 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3g2k h ILE 462 CO 0.04 0.20 0.42 -0.07 0.00 0.00 0.00 178.15 178.75 3g2k h LEU 463 N 1.11 0.83 -0.65 1.44 3.38 -1.10 0.61 115.31 120.94 3g2k h LEU 463 Ca 0.45 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 3g2k h LEU 463 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3g2k h LEU 463 CO -0.19 0.64 -0.55 0.11 0.09 0.00 0.00 178.44 178.54 3g2k h LYS 464 N 0.94 0.00 0.00 1.13 1.57 -1.17 -1.55 116.57 117.50 3g2k h LYS 464 Ca 0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 3g2k h LYS 464 Cb -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3g2k h LYS 464 CO -0.05 0.55 -1.61 1.63 -0.57 0.00 0.00 179.45 179.41 3g2k n LYS 465 N -3.56 0.63 0.00 3.15 5.02 -0.44 -3.87 118.16 119.09 3g2k n LYS 465 Ca -0.00 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3g2k n LYS 465 Cb 0.62 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3g2k n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3g2k n THR 466 N -2.83 0.00 0.17 -0.18 -2.24 0.18 -4.74 114.28 104.64 3g2k n THR 466 Ca -0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 3g2k n THR 466 Cb 0.88 -0.05 0.31 0.00 -2.10 0.00 0.00 70.33 69.37 3g2k n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3g2k h ILE 467 N 0.00 1.31 -0.19 2.28 3.07 -1.68 -2.85 117.51 119.45 3g2k h ILE 467 Ca 0.00 -1.49 -0.03 0.00 1.55 0.00 0.00 64.86 64.90 3g2k h ILE 467 Cb 0.00 1.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.34 3g2k h ILE 467 CO 0.00 0.43 -0.03 0.49 -1.05 0.00 0.00 178.15 177.99 3g2k n PHE 468 N -4.02 0.66 -0.21 0.16 0.99 -0.59 -4.78 117.46 109.67 3g2k n PHE 468 Ca -0.02 -1.04 0.02 0.00 -0.00 0.00 0.00 57.45 56.41 3g2k n PHE 468 Cb 0.46 -0.29 0.12 0.00 -1.00 0.00 0.00 39.48 38.77 3g2k n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3g2k h LYS 469 N 1.14 0.23 -1.01 -1.08 3.64 -1.48 -0.66 116.57 117.35 3g2k h LYS 469 Ca 0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3g2k h LYS 469 Cb 1.33 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 3g2k h LYS 469 CO 0.17 0.15 0.67 -0.44 -2.27 0.00 0.00 179.45 177.74 3g2k h ASP 470 N 0.24 1.15 -0.01 4.20 3.32 -1.86 -1.67 116.42 121.80 3g2k h ASP 470 Ca 0.33 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 3g2k h ASP 470 Cb 0.52 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3g2k h ASP 470 CO -0.44 0.83 -0.64 -0.26 -1.72 0.00 0.00 179.24 177.00 3g2k h PHE 471 N 1.35 0.81 -0.58 4.55 0.04 -1.74 -2.60 116.94 118.78 3g2k h PHE 471 Ca 0.37 -0.32 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3g2k h PHE 471 Cb -0.13 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.85 3g2k h PHE 471 CO -0.00 1.10 0.22 -0.92 -0.60 0.00 0.00 178.31 178.11 3g2k h TYR 472 N 0.46 0.85 -0.33 -0.55 3.20 -0.82 -0.36 116.97 119.43 3g2k h TYR 472 Ca -0.01 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 3g2k h TYR 472 Cb 1.23 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3g2k h TYR 472 CO 0.06 0.67 -0.29 0.93 -1.64 0.00 0.00 178.16 177.89 3g2k h GLU 473 N 0.83 0.69 -0.06 1.82 5.08 -1.15 -2.03 114.58 119.75 3g2k h GLU 473 Ca 0.20 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3g2k h GLU 473 Cb 0.18 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3g2k h GLU 473 CO -0.02 0.90 -0.43 1.25 -1.00 0.00 0.00 179.01 179.71 3g2k h LEU 474 N 0.59 0.49 -6.24 1.33 5.85 -1.22 -3.41 115.31 112.69 3g2k h LEU 474 Ca 0.07 -0.67 -0.58 0.00 0.84 0.00 0.00 57.88 57.54 3g2k h LEU 474 Cb 0.79 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.29 3g2k h LEU 474 CO 0.07 1.09 -0.99 -0.62 -0.34 0.00 0.00 178.44 177.64 3g2k n GLU 475 N -4.32 0.60 0.19 1.25 1.02 -0.16 -4.98 120.64 114.22 3g2k n GLU 475 Ca -0.09 -3.33 0.05 0.00 -0.02 0.00 0.00 57.16 53.78 3g2k n GLU 475 Cb 0.57 -1.54 0.52 0.00 -0.02 0.00 0.00 31.44 30.96 3g2k n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3g2k h PRO 476 N 4.88 0.12 0.00 3.49 0.13 -1.58 -2.60 132.00 136.44 3g2k h PRO 476 Ca 0.18 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3g2k h PRO 476 Cb 0.88 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3g2k h PRO 476 CO 0.45 0.18 -0.02 1.12 -0.23 0.00 0.00 178.00 179.50 3g2k h HIS 477 N 0.12 0.00 0.00 1.56 2.07 -1.94 -2.75 115.15 114.21 3g2k h HIS 477 Ca 0.03 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.44 3g2k h HIS 477 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 3g2k h HIS 477 CO 0.00 0.02 -0.50 0.87 -3.07 0.00 0.00 177.93 175.25 3g2k h LYS 478 N 0.00 0.00 -5.69 5.12 1.57 -1.70 -3.46 116.57 112.41 3g2k h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3g2k h LYS 478 Cb 0.07 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 3g2k h LYS 478 CO 0.00 0.50 0.06 -0.06 -0.57 0.00 0.00 179.45 179.38 3g2k s PHE 479 N -3.58 3.41 0.26 -1.35 0.08 -1.04 -0.51 117.98 115.26 3g2k s PHE 479 Ca -0.00 0.93 0.01 0.00 0.12 0.00 0.00 56.93 57.99 3g2k s PHE 479 Cb 0.12 -2.75 -0.05 0.00 -0.57 0.00 0.00 43.02 39.77 3g2k s PHE 479 CO 0.72 -0.09 0.09 -0.65 -0.10 0.00 0.00 175.22 175.20 3g2k s GLN 480 N 1.57 1.42 0.00 0.44 -0.21 0.48 -4.96 119.66 118.40 3g2k s GLN 480 Ca 0.29 -1.77 0.07 0.00 0.02 0.00 0.00 55.36 53.97 3g2k s GLN 480 Cb -0.16 -0.30 -0.03 0.00 1.00 0.00 0.00 33.01 33.53 3g2k s GLN 480 CO 0.11 -0.29 -0.23 1.21 -2.12 0.00 0.00 175.29 173.98 3g2k s ASN 481 N -3.32 3.38 -0.33 5.90 3.04 -1.26 -2.67 114.94 119.68 3g2k s ASN 481 Ca 0.38 -0.45 -0.01 0.00 0.04 0.00 0.00 52.86 52.82 3g2k s ASN 481 Cb 0.08 -0.46 0.13 0.00 -1.54 0.00 0.00 41.25 39.45 3g2k s ASN 481 CO 0.14 0.30 0.19 -0.54 -3.04 0.00 0.00 177.10 174.14 3g2k s LYS 482 N -0.94 0.41 0.23 0.43 -0.14 -0.85 -4.95 119.74 113.93 3g2k s LYS 482 Ca 0.12 -1.01 -0.31 0.00 -1.36 0.00 0.00 55.97 53.41 3g2k s LYS 482 Cb -0.10 -1.22 -0.11 0.00 -1.68 0.00 0.00 37.83 34.72 3g2k s LYS 482 CO 0.01 -1.14 1.59 0.99 -0.76 0.00 0.00 175.35 176.04 3g2k s THR 483 N 1.47 2.31 1.05 2.17 2.01 -1.26 -4.25 115.64 119.15 3g2k s THR 483 Ca 0.15 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3g2k s THR 483 Cb -0.20 -3.16 0.19 0.00 0.01 0.00 0.00 72.50 69.35 3g2k s THR 483 CO -0.13 0.03 0.93 0.59 -0.69 0.00 0.00 174.62 175.34 3g2k n ASN 484 N 3.14 -0.98 -3.52 3.53 5.03 -0.21 -4.64 115.26 117.61 3g2k n ASN 484 Ca 0.11 0.12 -0.12 0.00 0.87 0.00 0.00 54.58 55.57 3g2k n ASN 484 Cb 0.38 -1.32 -0.04 0.00 -1.02 0.00 0.00 39.78 37.78 3g2k n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3g2k s GLY 485 N -2.41 1.00 0.09 7.41 0.00 -1.26 -4.80 107.32 107.33 3g2k s GLY 485 Ca 0.66 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 44.24 3g2k s GLY 485 CO 0.63 -0.79 -0.14 -0.26 0.00 0.00 0.00 173.10 172.53 3g2k s ILE 486 N -3.36 1.19 -0.06 0.90 -4.36 0.02 -4.49 121.20 111.03 3g2k s ILE 486 Ca 0.26 -1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 58.93 3g2k s ILE 486 Cb -0.01 -1.21 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 3g2k s ILE 486 CO 0.15 -0.27 1.20 0.28 0.24 0.00 0.00 174.94 176.54 3g2k s THR 487 N -1.49 4.27 -1.13 8.37 -1.32 -1.26 -1.39 115.64 121.68 3g2k s THR 487 Ca 0.01 1.59 0.18 0.00 -1.21 0.00 0.00 61.69 62.26 3g2k s THR 487 Cb -0.09 -4.02 0.20 0.00 -1.51 0.00 0.00 72.50 67.08 3g2k s THR 487 CO 0.02 -0.01 1.57 -0.81 -2.21 0.00 0.00 174.62 173.19 3g2k n PRO 488 N 5.27 0.08 0.13 7.08 -0.04 -1.26 -1.77 135.00 144.48 3g2k n PRO 488 Ca 0.11 0.17 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 3g2k n PRO 488 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3g2k n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g2k h ARG 489 N 0.00 -0.36 -0.64 0.54 -0.00 -1.91 -2.28 114.38 109.73 3g2k h ARG 489 Ca 0.00 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 3g2k h ARG 489 Cb 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.29 3g2k h ARG 489 CO 0.00 -0.24 0.31 -0.09 0.00 0.00 0.00 179.97 179.95 3g2k h ARG 490 N -0.72 0.91 -0.43 0.04 2.43 -1.97 0.06 114.38 114.71 3g2k h ARG 490 Ca -0.04 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3g2k h ARG 490 Cb 0.29 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3g2k h ARG 490 CO 0.06 0.73 0.00 0.91 -1.51 0.00 0.00 179.97 180.16 3g2k n TRP 491 N -4.50 0.57 0.09 2.20 7.02 -0.73 -2.90 117.44 119.20 3g2k n TRP 491 Ca 0.04 -0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.24 3g2k n TRP 491 Cb 0.12 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 3g2k n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3g2k n LEU 492 N 0.97 -0.16 -0.14 -0.99 7.94 -0.89 -4.78 117.00 118.94 3g2k n LEU 492 Ca 0.17 0.32 -0.08 0.00 -1.11 0.00 0.00 56.01 55.32 3g2k n LEU 492 Cb 0.45 0.31 0.01 0.00 0.53 0.00 0.00 43.42 44.71 3g2k n LEU 492 CO 0.13 -0.67 1.04 0.58 -1.11 0.00 0.00 177.39 177.35 3g2k h VAL 493 N 0.00 1.12 0.14 1.96 2.07 -1.17 0.20 116.25 120.58 3g2k h VAL 493 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3g2k h VAL 493 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3g2k h VAL 493 CO 0.00 0.12 -0.07 0.25 0.02 0.00 0.00 177.57 177.89 3g2k h LEU 494 N 0.57 -0.16 0.00 2.57 6.46 -1.12 -3.26 115.31 120.38 3g2k h LEU 494 Ca 0.16 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3g2k h LEU 494 Cb -0.03 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3g2k h LEU 494 CO -0.03 0.38 -0.57 0.00 -0.62 0.00 0.00 178.44 177.59 3g2k n ASN 496 N -2.53 0.79 -0.16 0.00 2.85 0.71 -4.85 115.26 112.06 3g2k n ASN 496 Ca 0.02 -2.88 -0.01 0.00 -0.11 0.00 0.00 54.58 51.61 3g2k n ASN 496 Cb 0.50 -0.63 0.24 0.00 1.24 0.00 0.00 39.78 41.12 3g2k n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g2k h PRO 497 N 3.65 0.89 -0.56 1.20 0.13 -1.67 -1.98 132.00 133.66 3g2k h PRO 497 Ca 0.09 -0.10 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 3g2k h PRO 497 Cb 0.88 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 3g2k h PRO 497 CO 0.51 0.67 0.24 0.78 -0.23 0.00 0.00 178.00 179.97 3g2k h GLY 498 N 0.96 0.78 1.12 1.56 0.00 -1.91 0.24 103.07 105.82 3g2k h GLY 498 Ca 0.22 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 3g2k h GLY 498 CO -0.03 0.05 -0.59 -2.00 0.00 0.00 0.00 176.54 173.96 3g2k h LEU 499 N 0.46 0.93 -1.04 3.11 5.85 -1.88 -2.73 115.31 120.00 3g2k h LEU 499 Ca 0.27 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3g2k h LEU 499 Cb 0.26 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3g2k h LEU 499 CO -0.23 1.32 0.64 0.00 -0.34 0.00 0.00 178.44 179.84 3g2k h ALA 500 N 0.63 1.37 -0.03 1.25 0.00 -0.95 -2.16 119.26 119.36 3g2k h ALA 500 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g2k h ALA 500 Cb 1.20 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3g2k h ALA 500 CO 0.13 0.53 -0.02 1.49 0.00 0.00 0.00 179.25 181.38 3g2k h GLU 501 N 1.23 0.06 -0.08 0.00 4.57 -0.94 -1.35 114.58 118.08 3g2k h GLU 501 Ca 0.39 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.51 3g2k h GLU 501 Cb 0.02 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3g2k h GLU 501 CO -0.13 0.47 -0.09 -0.84 -1.18 0.00 0.00 179.01 177.24 3g2k h ILE 502 N -0.34 1.12 -0.25 2.32 3.07 -1.38 -0.30 117.51 121.75 3g2k h ILE 502 Ca 0.01 -0.51 -0.09 0.00 1.55 0.00 0.00 64.86 65.81 3g2k h ILE 502 Cb 0.45 1.16 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 3g2k h ILE 502 CO 0.00 0.16 -0.20 0.40 -1.05 0.00 0.00 178.15 177.46 3g2k h ILE 503 N 0.11 1.31 -0.42 0.16 2.04 -1.34 -3.23 117.51 116.14 3g2k h ILE 503 Ca 0.03 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 3g2k h ILE 503 Cb 0.24 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3g2k h ILE 503 CO 0.01 0.42 0.11 0.00 0.00 0.00 0.00 178.15 178.70 3g2k h ALA 504 N 0.70 1.42 -0.59 1.87 0.00 -0.34 -2.11 119.26 120.19 3g2k h ALA 504 Ca 0.05 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3g2k h ALA 504 Cb 0.75 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3g2k h ALA 504 CO 0.05 0.43 0.41 0.93 0.00 0.00 0.00 179.25 181.07 3g2k h GLU 505 N 0.60 0.27 0.03 0.00 5.08 -1.11 -0.21 114.58 119.24 3g2k h GLU 505 Ca 0.14 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 58.10 3g2k h GLU 505 Cb 0.21 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3g2k h GLU 505 CO -0.01 0.18 -2.30 0.54 -1.00 0.00 0.00 179.01 176.42 3g2k n ARG 506 N -4.45 0.66 -0.01 2.33 5.12 -0.96 -4.73 116.66 114.63 3g2k n ARG 506 Ca 0.10 0.22 0.01 0.00 -1.93 0.00 0.00 57.85 56.25 3g2k n ARG 506 Cb 0.47 -1.57 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 3g2k n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3g2k n ILE 507 N -3.55 0.37 -2.37 0.55 -5.35 -0.84 -5.12 119.36 103.05 3g2k n ILE 507 Ca -0.43 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 3g2k n ILE 507 Cb 0.97 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 3g2k n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g2k n GLY 508 N -0.10 -2.04 0.09 3.28 0.00 -0.10 -4.65 105.19 101.67 3g2k n GLY 508 Ca 0.01 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.47 3g2k n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g2k n GLU 509 N -0.05 0.35 0.30 1.61 1.02 -1.26 -4.20 120.64 118.41 3g2k n GLU 509 Ca 0.00 -0.19 0.19 0.00 -0.02 0.00 0.00 57.16 57.14 3g2k n GLU 509 Cb 0.00 -1.48 0.91 0.00 -0.02 0.00 0.00 31.44 30.86 3g2k n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3g2k h GLU 510 N 0.45 0.00 0.00 3.49 4.22 -1.96 -2.64 114.58 118.15 3g2k h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3g2k h GLU 510 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3g2k h GLU 510 CO 0.00 0.03 -0.12 0.10 -2.18 0.00 0.00 179.01 176.84 3g2k h TYR 511 N 0.00 0.00 -0.47 0.92 -0.00 -1.80 -2.66 116.97 112.96 3g2k h TYR 511 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.77 3g2k h TYR 511 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.97 3g2k h TYR 511 CO 0.00 0.12 0.32 0.82 -0.00 0.00 0.00 178.16 179.41 3g2k h ILE 512 N 0.00 1.02 -0.15 -0.90 2.04 -1.83 -1.37 117.51 116.33 3g2k h ILE 512 Ca -0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3g2k h ILE 512 Cb 0.35 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3g2k h ILE 512 CO 0.02 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 3g2k n SER 513 N -4.48 2.93 -2.91 1.72 3.41 -1.13 -4.68 113.62 108.47 3g2k n SER 513 Ca 0.06 -2.72 -0.13 0.00 -0.26 0.00 0.00 58.87 55.82 3g2k n SER 513 Cb 0.18 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3g2k n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g2k n ASP 514 N -0.65 -2.12 0.20 4.04 4.64 -0.59 -5.03 116.55 117.04 3g2k n ASP 514 Ca 0.15 -2.99 0.14 0.00 -1.38 0.00 0.00 54.79 50.70 3g2k n ASP 514 Cb 0.63 1.04 0.67 0.00 -1.04 0.00 0.00 41.12 42.43 3g2k n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3g2k h LEU 515 N 4.39 0.00 -2.47 -2.67 5.85 -1.66 -1.93 115.31 116.82 3g2k h LEU 515 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3g2k h LEU 515 Cb 1.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3g2k h LEU 515 CO 0.29 0.00 0.02 0.44 -0.34 0.00 0.00 178.44 178.86 3g2k h ASP 516 N 0.00 0.00 0.25 1.25 3.32 -1.85 -2.29 116.42 117.10 3g2k h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g2k h ASP 516 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3g2k h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 3g2k h GLN 517 N 0.00 0.00 -0.00 3.56 4.20 -1.68 -2.35 115.11 118.84 3g2k h GLN 517 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3g2k h GLN 517 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3g2k h GLN 517 CO -0.00 0.00 0.15 -0.07 -0.67 0.00 0.00 178.83 178.24 3g2k h LEU 518 N 0.00 0.00 -2.01 1.46 3.38 -1.65 -1.42 115.31 115.08 3g2k h LEU 518 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3g2k h LEU 518 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3g2k h LEU 518 CO 0.00 0.00 0.24 0.03 0.09 0.00 0.00 178.44 178.80 3g2k h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -1.08 -0.89 114.38 116.62 3g2k h ARG 519 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g2k h ARG 519 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3g2k h ARG 519 CO -0.00 0.00 0.01 0.87 -1.07 0.00 0.00 179.97 179.78 3g2k h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.51 -1.73 116.57 114.94 3g2k h LYS 520 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3g2k h LYS 520 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g2k h LYS 520 CO -0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 3g2k h LEU 521 N 0.00 0.00 -1.69 2.94 3.38 -1.36 -3.08 115.31 115.50 3g2k h LEU 521 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3g2k h LEU 521 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3g2k h LEU 521 CO 0.00 0.00 0.33 -0.07 0.09 0.00 0.00 178.44 178.79 3g2k h LEU 522 N 0.00 0.32 0.00 1.67 4.07 -1.50 -0.54 115.31 119.34 3g2k h LEU 522 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3g2k h LEU 522 Cb 0.53 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3g2k h LEU 522 CO 0.00 0.21 0.00 -1.54 -1.08 0.00 0.00 178.44 176.03 3g2k n SER 523 N -4.47 0.00 -0.07 -0.43 3.41 -1.16 -2.61 113.62 108.28 3g2k n SER 523 Ca 0.07 -1.20 0.01 0.00 -0.26 0.00 0.00 58.87 57.49 3g2k n SER 523 Cb 0.29 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 3g2k n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g2k n TYR 524 N -0.68 0.05 0.24 7.33 4.01 -0.21 -4.74 117.16 123.16 3g2k n TYR 524 Ca 0.06 -0.45 0.12 0.00 -0.16 0.00 0.00 57.90 57.47 3g2k n TYR 524 Cb 0.03 -0.04 0.60 0.00 -0.31 0.00 0.00 39.34 39.62 3g2k n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3g2k h VAL 525 N 0.24 0.54 -0.38 -0.72 3.04 -1.56 -2.11 116.25 115.30 3g2k h VAL 525 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3g2k h VAL 525 Cb 0.48 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 3g2k h VAL 525 CO 0.00 0.17 0.00 0.47 -1.01 0.00 0.00 177.57 177.20 3g2k n ASP 526 N -3.49 3.23 -4.61 3.17 10.43 -1.26 -4.86 116.55 119.15 3g2k n ASP 526 Ca -0.01 -2.17 -0.43 0.00 2.57 0.00 0.00 54.79 54.76 3g2k n ASP 526 Cb 0.33 -0.31 -0.03 0.00 1.84 0.00 0.00 41.12 42.96 3g2k n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3g2k s ASP 527 N -1.13 6.74 0.37 -2.24 3.68 -0.79 -4.93 116.67 118.36 3g2k s ASP 527 Ca 0.29 0.67 0.10 0.00 2.13 0.00 0.00 52.55 55.74 3g2k s ASP 527 Cb 0.17 -2.52 0.73 0.00 -1.45 0.00 0.00 42.92 39.85 3g2k s ASP 527 CO 0.16 -1.02 1.87 -0.08 0.13 0.00 0.00 175.17 176.23 3g2k h GLU 528 N 8.64 0.18 -0.13 4.34 4.57 -1.92 -1.49 114.58 128.77 3g2k h GLU 528 Ca -0.22 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.84 3g2k h GLU 528 Cb 1.07 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3g2k h GLU 528 CO 1.05 0.40 -0.17 0.00 -1.18 0.00 0.00 179.01 179.12 3g2k h ALA 529 N 1.61 0.20 -0.19 2.92 0.00 -1.95 -2.71 119.26 119.13 3g2k h ALA 529 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3g2k h ALA 529 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3g2k h ALA 529 CO 0.03 0.10 0.10 0.35 0.00 0.00 0.00 179.25 179.84 3g2k h PHE 530 N -0.05 0.26 -0.61 0.00 3.04 -1.82 -0.94 116.94 116.82 3g2k h PHE 530 Ca 0.02 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.08 3g2k h PHE 530 Cb 0.72 -0.08 -0.10 0.00 2.56 0.00 0.00 35.95 39.05 3g2k h PHE 530 CO 0.09 0.25 0.04 0.82 -2.02 0.00 0.00 178.31 177.49 3g2k h ILE 531 N 0.20 0.54 -0.69 1.41 2.04 -1.35 0.11 117.51 119.77 3g2k h ILE 531 Ca 0.07 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3g2k h ILE 531 Cb 0.07 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3g2k h ILE 531 CO -0.01 0.03 0.28 -0.09 0.00 0.00 0.00 178.15 178.36 3g2k h ARG 532 N 0.16 1.04 -0.28 2.37 2.43 -1.14 -2.45 114.38 116.50 3g2k h ARG 532 Ca 0.32 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 3g2k h ARG 532 Cb 0.51 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3g2k h ARG 532 CO -0.49 0.86 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.18 3g2k h ASP 533 N 0.99 0.67 -0.33 -3.80 3.32 -0.30 -0.48 116.42 116.49 3g2k h ASP 533 Ca 0.23 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3g2k h ASP 533 Cb 0.21 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3g2k h ASP 533 CO -0.02 0.97 0.14 0.58 -1.72 0.00 0.00 179.24 179.19 3g2k h VAL 534 N 0.38 0.95 -0.23 -1.35 2.07 -0.79 -0.54 116.25 116.73 3g2k h VAL 534 Ca 0.05 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3g2k h VAL 534 Cb 0.75 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3g2k h VAL 534 CO 0.06 0.05 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 3g2k h ALA 535 N 1.19 1.30 -0.24 1.67 0.00 -1.39 -2.60 119.26 119.19 3g2k h ALA 535 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3g2k h ALA 535 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3g2k h ALA 535 CO -0.12 0.47 -0.09 -0.22 0.00 0.00 0.00 179.25 179.28 3g2k h LYS 536 N 0.37 0.49 -0.84 0.00 3.64 -0.64 -2.22 116.57 117.36 3g2k h LYS 536 Ca 0.07 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3g2k h LYS 536 Cb 0.49 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3g2k h LYS 536 CO 0.03 0.74 0.55 0.28 -2.27 0.00 0.00 179.45 178.78 3g2k h VAL 537 N 0.21 1.22 -0.22 2.00 2.07 -0.97 -1.10 116.25 119.46 3g2k h VAL 537 Ca 0.06 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3g2k h VAL 537 Cb 0.58 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3g2k h VAL 537 CO 0.03 0.21 0.08 0.50 0.02 0.00 0.00 177.57 178.41 3g2k h LYS 538 N 1.13 0.33 -0.77 1.57 1.63 -1.46 -1.39 116.57 117.61 3g2k h LYS 538 Ca 0.31 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.07 3g2k h LYS 538 Cb -0.13 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.41 3g2k h LYS 538 CO -0.07 0.39 0.50 0.37 -3.45 0.00 0.00 179.45 177.19 3g2k h GLN 539 N 0.20 0.96 -0.42 1.90 5.75 -1.11 0.25 115.11 122.62 3g2k h GLN 539 Ca 0.07 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3g2k h GLN 539 Cb 0.18 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3g2k h GLN 539 CO -0.01 0.63 0.27 0.93 -2.65 0.00 0.00 178.83 178.01 3g2k h GLU 540 N 0.98 0.54 -0.74 1.69 5.08 -1.10 -0.54 114.58 120.49 3g2k h GLU 540 Ca 0.30 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3g2k h GLU 540 Cb -0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3g2k h GLU 540 CO -0.10 0.36 0.49 -0.91 -1.00 0.00 0.00 179.01 177.85 3g2k h ASN 541 N 0.56 0.85 -0.53 1.42 2.35 -0.59 -1.02 115.58 118.61 3g2k h ASN 541 Ca 0.16 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3g2k h ASN 541 Cb -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3g2k h ASN 541 CO -0.04 0.61 0.03 0.11 -1.65 0.00 0.00 177.43 176.49 3g2k h LYS 542 N 1.00 0.92 -0.18 0.81 1.57 -0.71 -1.36 116.57 118.62 3g2k h LYS 542 Ca 0.27 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3g2k h LYS 542 Cb -0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3g2k h LYS 542 CO -0.06 0.92 0.09 -0.07 -0.57 0.00 0.00 179.45 179.77 3g2k h LEU 543 N 0.80 0.22 -0.70 2.94 3.38 -0.89 0.02 115.31 121.08 3g2k h LEU 543 Ca 0.15 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3g2k h LEU 543 Cb 0.49 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3g2k h LEU 543 CO 0.02 0.25 0.43 0.50 0.09 0.00 0.00 178.44 179.73 3g2k h LYS 544 N 0.17 0.80 -0.10 1.13 3.64 -1.08 -1.41 116.57 119.72 3g2k h LYS 544 Ca 0.06 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 3g2k h LYS 544 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3g2k h LYS 544 CO -0.01 0.53 -0.66 0.35 -2.27 0.00 0.00 179.45 177.39 3g2k h PHE 545 N 0.82 0.51 -0.40 1.91 3.57 -1.11 -1.74 116.94 120.50 3g2k h PHE 545 Ca 0.29 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3g2k h PHE 545 Cb 0.07 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3g2k h PHE 545 CO -0.05 0.94 0.07 0.00 -2.23 0.00 0.00 178.31 177.03 3g2k h ALA 546 N 1.01 1.37 -0.14 2.41 0.00 -0.68 -2.19 119.26 121.03 3g2k h ALA 546 Ca -0.02 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 3g2k h ALA 546 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g2k h ALA 546 CO 0.11 0.45 -0.75 0.00 0.00 0.00 0.00 179.25 179.06 3g2k h ALA 547 N 1.49 0.41 -0.69 0.00 0.00 -1.12 -3.10 119.26 116.25 3g2k h ALA 547 Ca 0.13 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.49 3g2k h ALA 547 Cb 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3g2k h ALA 547 CO 0.00 0.71 0.41 -0.92 0.00 0.00 0.00 179.25 179.45 3g2k h TYR 548 N 0.47 0.76 -0.40 0.00 5.03 -1.03 -0.63 116.97 121.17 3g2k h TYR 548 Ca -0.04 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 3g2k h TYR 548 Cb 1.36 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 3g2k h TYR 548 CO 0.07 0.40 0.02 -0.07 -1.32 0.00 0.00 178.16 177.26 3g2k h LEU 549 N 0.78 0.59 0.06 2.82 3.38 -1.40 -1.68 115.31 119.85 3g2k h LEU 549 Ca 0.29 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3g2k h LEU 549 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3g2k h LEU 549 CO -0.15 0.65 -0.03 -0.33 0.09 0.00 0.00 178.44 178.68 3g2k h GLU 550 N 0.60 -0.08 -0.44 1.13 5.08 -1.41 -1.59 114.58 117.88 3g2k h GLU 550 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3g2k h GLU 550 Cb 0.35 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3g2k h GLU 550 CO 0.01 0.51 0.30 0.00 -1.00 0.00 0.00 179.01 178.82 3g2k h ARG 551 N -0.76 0.42 0.00 2.33 3.08 -1.04 0.09 114.38 118.50 3g2k h ARG 551 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g2k h ARG 551 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3g2k h ARG 551 CO 0.01 0.28 -0.92 -1.91 -1.07 0.00 0.00 179.97 176.36 3g2k n GLU 552 N -4.48 2.07 0.00 0.04 4.07 -0.64 -4.74 120.64 116.96 3g2k n GLU 552 Ca 0.05 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 3g2k n GLU 552 Cb 0.19 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 3g2k n GLU 552 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3g2k n TYR 553 N -1.51 0.00 -3.99 4.31 4.01 -0.68 -5.06 117.16 114.24 3g2k n TYR 553 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 3g2k n TYR 553 Cb 0.16 0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3g2k n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3g2k n LYS 554 N 0.00 -2.98 -4.95 -0.72 4.76 0.02 -4.90 118.16 109.38 3g2k n LYS 554 Ca 0.00 0.37 -0.27 0.00 -2.87 0.00 0.00 58.31 55.54 3g2k n LYS 554 Cb 0.38 -4.40 -0.16 0.00 -1.84 0.00 0.00 35.03 29.00 3g2k n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3g2k s VAL 555 N -4.00 1.57 -0.23 -0.18 -7.23 -1.15 -4.96 120.40 104.22 3g2k s VAL 555 Ca 0.01 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 3g2k s VAL 555 Cb -0.00 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 3g2k s VAL 555 CO 0.90 0.45 0.39 -1.00 -0.31 0.00 0.00 175.10 175.53 3g2k s HIS 556 N -0.19 3.33 0.09 2.82 0.09 -1.26 -3.78 115.29 116.39 3g2k s HIS 556 Ca 0.01 0.54 0.06 0.00 -0.00 0.00 0.00 55.06 55.66 3g2k s HIS 556 Cb -0.10 -2.54 -0.03 0.00 -0.00 0.00 0.00 32.58 29.91 3g2k s HIS 556 CO 0.01 -0.09 -0.15 0.96 -0.00 0.00 0.00 174.74 175.48 3g2k s ILE 557 N 1.59 1.23 -0.43 0.60 -4.36 -1.26 -5.11 121.20 113.46 3g2k s ILE 557 Ca 0.17 -1.46 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 3g2k s ILE 557 Cb -0.15 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.32 3g2k s ILE 557 CO 0.08 -0.27 0.77 0.21 0.24 0.00 0.00 174.94 175.98 3g2k s ASN 558 N -1.98 6.43 0.00 4.36 2.47 -1.26 -4.94 114.94 120.02 3g2k s ASN 558 Ca 0.02 -0.03 0.15 0.00 0.42 0.00 0.00 52.86 53.42 3g2k s ASN 558 Cb -0.08 -2.38 0.70 0.00 -1.45 0.00 0.00 41.25 38.04 3g2k s ASN 558 CO 0.03 -0.87 1.47 -2.65 -3.72 0.00 0.00 177.10 171.36 3g2k n PRO 559 N 6.62 0.09 0.00 0.43 -0.02 -1.26 -1.94 135.00 138.92 3g2k n PRO 559 Ca 0.02 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 3g2k n PRO 559 Cb 0.48 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.69 3g2k n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3g2k n ASN 560 N -1.42 0.53 -4.81 2.55 5.03 -1.26 -4.86 115.26 111.02 3g2k n ASN 560 Ca 0.05 -0.25 -0.30 0.00 0.87 0.00 0.00 54.58 54.95 3g2k n ASN 560 Cb 0.16 0.28 0.08 0.00 -1.02 0.00 0.00 39.78 39.28 3g2k n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3g2k s SER 561 N -3.11 4.78 -0.05 6.41 1.04 -0.82 -4.95 113.70 117.00 3g2k s SER 561 Ca 0.10 1.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.63 3g2k s SER 561 Cb 0.17 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 3g2k s SER 561 CO 0.71 -1.80 1.27 -0.22 0.98 0.00 0.00 173.24 174.18 3g2k s LEU 562 N -5.70 4.28 -0.71 2.42 0.20 0.03 -4.77 118.68 114.43 3g2k s LEU 562 Ca 0.60 1.89 -0.23 0.00 0.69 0.00 0.00 54.13 57.08 3g2k s LEU 562 Cb -0.14 -3.56 0.07 0.00 -0.43 0.00 0.00 46.19 42.13 3g2k s LEU 562 CO 0.54 -0.65 1.06 -0.36 -0.29 0.00 0.00 176.35 176.66 3g2k s PHE 563 N 2.44 2.63 -0.47 5.38 2.99 -1.26 -0.47 117.98 129.22 3g2k s PHE 563 Ca 0.58 -0.54 -0.16 0.00 0.00 0.00 0.00 56.93 56.81 3g2k s PHE 563 Cb -0.26 -4.37 0.06 0.00 0.00 0.00 0.00 43.02 38.44 3g2k s PHE 563 CO 0.22 -1.73 0.44 0.34 -0.00 0.00 0.00 175.22 174.50 3g2k s ASP 564 N 3.74 6.17 -0.06 1.36 3.68 0.24 -1.51 116.67 130.30 3g2k s ASP 564 Ca 0.26 -1.10 0.04 0.00 2.13 0.00 0.00 52.55 53.88 3g2k s ASP 564 Cb -0.13 -2.21 -0.00 0.00 -1.45 0.00 0.00 42.92 39.12 3g2k s ASP 564 CO 0.09 -0.67 -0.19 0.54 0.13 0.00 0.00 175.17 175.06 3g2k s VAL 565 N 1.93 1.64 -0.31 1.11 0.11 -0.44 -0.11 120.40 124.33 3g2k s VAL 565 Ca 0.08 -0.81 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 3g2k s VAL 565 Cb -0.22 -1.42 0.09 0.00 -1.53 0.00 0.00 36.38 33.31 3g2k s VAL 565 CO 0.09 0.47 0.05 -1.58 -3.33 0.00 0.00 175.10 170.79 3g2k s GLN 566 N 0.16 1.27 -0.12 1.54 0.74 -0.18 -1.71 119.66 121.35 3g2k s GLN 566 Ca -0.09 -1.48 0.02 0.00 0.05 0.00 0.00 55.36 53.87 3g2k s GLN 566 Cb -0.14 -2.71 0.01 0.00 1.10 0.00 0.00 33.01 31.27 3g2k s GLN 566 CO 0.04 -0.90 -0.18 0.14 -0.55 0.00 0.00 175.29 173.84 3g2k s VAL 567 N 1.21 1.73 0.00 1.34 -7.23 -1.26 -2.07 120.40 114.11 3g2k s VAL 567 Ca 0.08 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3g2k s VAL 567 Cb -0.18 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.21 3g2k s VAL 567 CO -0.13 0.49 0.00 2.29 -0.31 0.00 0.00 175.10 177.43 3g2k n LYS 568 N 4.07 0.00 -1.71 4.82 0.00 -0.99 -4.99 118.16 119.37 3g2k n LYS 568 Ca -0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.72 3g2k n LYS 568 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.57 3g2k n LYS 568 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3g2k n ARG 569 N -0.54 1.80 -2.46 -1.58 5.12 -1.26 -4.02 116.66 113.71 3g2k n ARG 569 Ca 0.00 0.65 -0.43 0.00 -1.93 0.00 0.00 57.85 56.14 3g2k n ARG 569 Cb 0.00 -2.43 -0.02 0.00 -1.16 0.00 0.00 32.46 28.85 3g2k n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3g2k s ILE 570 N -1.25 4.34 -0.04 0.55 -1.09 -0.66 -4.90 121.20 118.14 3g2k s ILE 570 Ca 0.65 1.62 -0.18 0.00 -2.23 0.00 0.00 60.65 60.51 3g2k s ILE 570 Cb -0.47 -4.05 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 3g2k s ILE 570 CO 0.55 -0.12 0.40 -2.28 -1.23 0.00 0.00 174.94 172.26 3g2k s HIS 571 N 3.23 -0.31 0.31 3.97 2.46 -1.26 -4.73 115.29 118.96 3g2k s HIS 571 Ca 0.53 0.53 0.01 0.00 0.47 0.00 0.00 55.06 56.60 3g2k s HIS 571 Cb -0.21 0.17 0.53 0.00 -0.13 0.00 0.00 32.58 32.94 3g2k s HIS 571 CO 0.15 -0.42 1.94 0.93 -2.47 0.00 0.00 174.74 174.87 3g2k h GLU 572 N 3.84 0.99 0.00 2.88 5.08 -1.97 -2.81 114.58 122.58 3g2k h GLU 572 Ca -0.29 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 3g2k h GLU 572 Cb 1.17 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3g2k h GLU 572 CO 0.38 0.65 -0.37 0.10 -1.00 0.00 0.00 179.01 178.78 3g2k h TYR 573 N 1.02 0.00 0.00 4.33 -0.00 -1.98 -2.55 116.97 117.79 3g2k h TYR 573 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 3g2k h TYR 573 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.81 3g2k h TYR 573 CO -0.00 0.37 0.00 1.63 -0.00 0.00 0.00 178.16 180.16 3g2k n LYS 574 N -3.89 0.12 -3.68 0.10 5.02 -1.07 -2.97 118.16 111.78 3g2k n LYS 574 Ca -0.01 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 3g2k n LYS 574 Cb 0.43 -1.65 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 3g2k n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g2k n ARG 575 N -1.86 -6.14 0.00 1.97 1.74 -0.96 -4.06 116.66 107.35 3g2k n ARG 575 Ca 0.06 0.71 0.23 0.00 -0.77 0.00 0.00 57.85 58.07 3g2k n ARG 575 Cb 0.35 -5.57 0.73 0.00 -1.02 0.00 0.00 32.46 26.95 3g2k n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g2k h GLN 576 N -2.13 0.00 -0.40 5.56 7.50 -1.86 -1.72 115.11 122.06 3g2k h GLN 576 Ca -0.59 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.49 3g2k h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 3g2k h GLN 576 CO 0.58 0.00 -0.04 -0.07 -1.50 0.00 0.00 178.83 177.80 3g2k h LEU 577 N 0.00 0.64 -0.68 1.46 3.38 -1.90 -1.45 115.31 116.76 3g2k h LEU 577 Ca 0.27 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3g2k h LEU 577 Cb 1.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3g2k h LEU 577 CO -0.00 0.73 0.14 0.25 0.09 0.00 0.00 178.44 179.65 3g2k h LEU 578 N 0.62 1.05 -0.10 1.67 5.85 -1.69 -1.53 115.31 121.19 3g2k h LEU 578 Ca 0.12 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3g2k h LEU 578 Cb 0.44 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3g2k h LEU 578 CO 0.02 1.03 0.02 -1.13 -0.34 0.00 0.00 178.44 178.04 3g2k h ASN 579 N 1.03 0.01 -0.81 1.25 -0.00 -1.48 -2.43 115.58 113.15 3g2k h ASN 579 Ca 0.21 0.01 0.16 0.00 -0.00 0.00 0.00 56.30 56.68 3g2k h ASN 579 Cb 0.41 0.02 -0.10 0.00 -0.00 0.00 0.00 38.32 38.65 3g2k h ASN 579 CO 0.01 0.02 0.36 0.00 -0.00 0.00 0.00 177.43 177.82 3g2k h LEU 581 N 0.50 1.01 -0.27 0.00 3.38 -0.96 -1.91 115.31 117.05 3g2k h LEU 581 Ca 0.46 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3g2k h LEU 581 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3g2k h LEU 581 CO -0.41 0.96 0.05 -0.74 0.09 0.00 0.00 178.44 178.38 3g2k h HIS 582 N 1.02 0.48 -0.42 1.13 2.76 -0.87 -1.27 115.15 117.98 3g2k h HIS 582 Ca 0.22 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 3g2k h HIS 582 Cb 0.34 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 3g2k h HIS 582 CO 0.03 0.55 -0.04 0.28 -1.30 0.00 0.00 177.93 177.45 3g2k h VAL 583 N 0.27 0.64 -0.51 5.26 2.07 -0.98 -0.40 116.25 122.60 3g2k h VAL 583 Ca 0.08 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 3g2k h VAL 583 Cb 0.33 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3g2k h VAL 583 CO 0.01 0.01 0.03 0.40 0.02 0.00 0.00 177.57 178.04 3g2k h ILE 584 N 0.07 1.24 -0.39 4.57 2.04 -1.27 -1.46 117.51 122.31 3g2k h ILE 584 Ca 0.21 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.10 3g2k h ILE 584 Cb 0.31 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3g2k h ILE 584 CO -0.38 0.35 0.22 0.74 0.00 0.00 0.00 178.15 179.08 3g2k h THR 585 N 0.79 1.01 -0.58 -0.27 2.02 -0.43 0.84 112.91 116.28 3g2k h THR 585 Ca 0.16 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3g2k h THR 585 Cb 0.43 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3g2k h THR 585 CO 0.02 0.08 0.31 -0.07 0.37 0.00 0.00 175.52 176.23 3g2k h LEU 586 N 0.44 0.74 -0.14 2.58 4.07 -0.78 -1.16 115.31 121.06 3g2k h LEU 586 Ca 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3g2k h LEU 586 Cb 0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 3g2k h LEU 586 CO -0.09 0.63 0.09 0.22 -1.08 0.00 0.00 178.44 178.21 3g2k h TYR 587 N 0.79 0.19 -0.49 1.13 5.03 -0.95 -1.93 116.97 120.74 3g2k h TYR 587 Ca 0.20 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 3g2k h TYR 587 Cb 0.07 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 3g2k h TYR 587 CO -0.01 0.16 0.16 -0.91 -1.32 0.00 0.00 178.16 176.24 3g2k h ASN 588 N 0.16 0.65 -0.01 -2.11 2.35 -0.65 -1.20 115.58 114.77 3g2k h ASN 588 Ca 0.05 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 3g2k h ASN 588 Cb 0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3g2k h ASN 588 CO -0.01 0.62 -0.35 0.03 -1.65 0.00 0.00 177.43 176.07 3g2k h ARG 589 N 0.70 0.50 -0.15 0.81 3.08 -1.08 -1.99 114.38 116.24 3g2k h ARG 589 Ca 0.16 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3g2k h ARG 589 Cb 0.20 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3g2k h ARG 589 CO -0.01 0.78 -0.05 0.82 -1.07 0.00 0.00 179.97 180.44 3g2k h ILE 590 N 0.42 1.30 -0.01 2.04 2.04 -0.89 -2.15 117.51 120.27 3g2k h ILE 590 Ca 0.05 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3g2k h ILE 590 Cb 0.81 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3g2k h ILE 590 CO 0.07 0.31 0.01 0.11 0.00 0.00 0.00 178.15 178.64 3g2k h LYS 591 N -0.01 0.00 0.11 2.37 1.79 -1.16 -1.34 116.57 118.32 3g2k h LYS 591 Ca 0.04 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.26 3g2k h LYS 591 Cb 0.50 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.17 3g2k h LYS 591 CO 0.02 0.00 -1.01 -0.22 -1.08 0.00 0.00 179.45 177.15 3g2k h LYS 592 N 0.00 0.49 -2.52 3.15 3.64 -1.28 -3.40 116.57 116.66 3g2k h LYS 592 Ca 0.00 -0.68 -0.60 0.00 -1.27 0.00 0.00 60.65 58.11 3g2k h LYS 592 Cb 0.02 0.23 -0.40 0.00 -0.41 0.00 0.00 32.23 31.66 3g2k h LYS 592 CO -0.00 1.29 -0.78 0.39 -2.27 0.00 0.00 179.45 178.08 3g2k n GLU 593 N -3.97 1.32 -0.11 1.90 1.02 -0.82 -5.00 120.64 114.99 3g2k n GLU 593 Ca -0.13 -3.95 0.01 0.00 -0.02 0.00 0.00 57.16 53.08 3g2k n GLU 593 Cb 0.89 -1.93 0.31 0.00 -0.02 0.00 0.00 31.44 30.68 3g2k n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3g2k h PRO 594 N 4.98 0.77 -0.65 3.49 0.11 -1.47 -2.81 132.00 136.42 3g2k h PRO 594 Ca 0.18 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3g2k h PRO 594 Cb 0.80 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3g2k h PRO 594 CO 0.60 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 179.03 3g2k n ASN 595 N -4.41 4.68 -4.87 -2.05 4.13 -1.26 -4.86 115.26 106.62 3g2k n ASN 595 Ca 0.05 -2.67 -0.36 0.00 1.68 0.00 0.00 54.58 53.28 3g2k n ASN 595 Cb 0.08 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.64 3g2k n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3g2k s LYS 596 N -2.30 3.70 0.14 3.52 2.36 -1.06 -5.07 119.74 121.03 3g2k s LYS 596 Ca 0.44 0.12 -0.30 0.00 -2.55 0.00 0.00 55.97 53.68 3g2k s LYS 596 Cb 0.32 -3.10 -0.07 0.00 -1.05 0.00 0.00 37.83 33.94 3g2k s LYS 596 CO 0.15 0.65 1.04 0.12 1.55 0.00 0.00 175.35 178.85 3g2k s PHE 597 N -1.24 3.69 0.02 4.03 5.36 -1.26 -5.05 117.98 123.53 3g2k s PHE 597 Ca 0.27 1.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.95 3g2k s PHE 597 Cb -0.14 -3.18 -0.02 0.00 -0.34 0.00 0.00 43.02 39.35 3g2k s PHE 597 CO 0.15 -0.25 -0.09 0.14 -1.46 0.00 0.00 175.22 173.71 3g2k s VAL 598 N -0.06 0.68 0.06 3.12 -7.23 -1.26 -5.12 120.40 110.59 3g2k s VAL 598 Ca 0.49 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.60 3g2k s VAL 598 Cb -0.26 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.94 3g2k s VAL 598 CO 0.32 -0.09 1.83 -0.69 -0.31 0.00 0.00 175.10 176.17 3g2k s VAL 599 N -0.78 2.92 0.37 1.32 1.01 -1.26 -4.94 120.40 119.04 3g2k s VAL 599 Ca -0.02 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 3g2k s VAL 599 Cb -0.07 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 3g2k s VAL 599 CO 0.00 -0.01 1.28 -2.84 0.00 0.00 0.00 175.10 173.53 3g2k s PRO 600 N 3.52 4.14 0.00 2.72 0.02 -1.26 -4.93 135.00 139.21 3g2k s PRO 600 Ca 0.82 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.99 3g2k s PRO 600 Cb -0.42 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 3g2k s PRO 600 CO 0.37 -0.34 -0.12 1.03 -0.33 0.00 0.00 177.00 177.62 3g2k s ARG 601 N -2.06 0.90 -0.35 5.54 0.52 -0.46 -0.79 118.95 122.25 3g2k s ARG 601 Ca 0.54 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.18 3g2k s ARG 601 Cb -0.37 -0.87 0.03 0.00 0.52 0.00 0.00 34.95 34.26 3g2k s ARG 601 CO 0.49 0.23 0.14 0.99 0.02 0.00 0.00 175.30 177.16 3g2k s THR 602 N -0.43 4.04 -0.33 0.02 2.01 0.38 -2.01 115.64 119.32 3g2k s THR 602 Ca 0.03 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 3g2k s THR 602 Cb -0.05 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3g2k s THR 602 CO -0.00 -0.18 0.57 -0.69 -0.69 0.00 0.00 174.62 173.62 3g2k s VAL 603 N 1.45 4.98 -0.16 3.82 1.01 0.74 -0.59 120.40 131.65 3g2k s VAL 603 Ca -0.00 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3g2k s VAL 603 Cb -0.19 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3g2k s VAL 603 CO 0.04 -0.18 -0.12 -0.04 0.00 0.00 0.00 175.10 174.80 3g2k s MET 604 N 2.50 3.30 -0.07 2.72 -1.94 0.84 -1.02 119.30 125.65 3g2k s MET 604 Ca 0.22 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.52 3g2k s MET 604 Cb -0.15 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 33.98 3g2k s MET 604 CO 0.13 0.02 -0.14 0.42 -0.01 0.00 0.00 175.02 175.44 3g2k s ILE 605 N 0.85 1.25 0.11 2.53 1.01 -0.67 -1.01 121.20 125.26 3g2k s ILE 605 Ca -0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3g2k s ILE 605 Cb -0.15 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 3g2k s ILE 605 CO 0.00 0.38 0.21 -0.83 0.00 0.00 0.00 174.94 174.70 3g2k s GLY 606 N 0.59 0.22 0.00 6.18 0.00 -0.88 -0.63 107.32 112.80 3g2k s GLY 606 Ca -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 43.87 3g2k s GLY 606 CO 0.04 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.93 3g2k n GLY 607 N -0.11 4.15 3.88 0.20 0.00 -1.26 -2.34 105.19 109.71 3g2k n GLY 607 Ca -0.13 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 3g2k n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2k s LYS 608 N -2.89 3.67 -0.13 1.61 1.02 -1.26 -4.64 119.74 117.11 3g2k s LYS 608 Ca 0.00 0.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.95 3g2k s LYS 608 Cb 0.00 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 3g2k s LYS 608 CO 0.00 0.58 0.13 0.00 -0.92 0.00 0.00 175.35 175.14 3g2k s ALA 609 N -1.40 3.80 0.28 5.17 0.00 -1.26 -1.66 121.76 126.70 3g2k s ALA 609 Ca 0.32 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3g2k s ALA 609 Cb -0.13 -1.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 3g2k s ALA 609 CO 0.18 0.55 1.52 0.00 0.00 0.00 0.00 175.76 178.01 3g2k n ALA 610 N 2.21 2.04 -0.19 0.00 0.00 -1.26 -4.87 120.51 118.44 3g2k n ALA 610 Ca -0.19 0.38 0.23 0.00 0.00 0.00 0.00 53.44 53.86 3g2k n ALA 610 Cb 0.54 -2.39 0.61 0.00 0.00 0.00 0.00 19.45 18.21 3g2k n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3g2k h PRO 611 N 4.39 0.21 -0.02 0.00 0.11 -1.99 -1.12 132.00 133.58 3g2k h PRO 611 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g2k h PRO 611 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3g2k h PRO 611 CO 0.76 0.14 -0.06 0.41 -0.21 0.00 0.00 178.00 179.04 3g2k n GLY 612 N -1.60 0.44 3.46 -0.55 0.00 -1.26 -4.82 105.19 100.86 3g2k n GLY 612 Ca 0.18 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3g2k n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g2k s TYR 613 N -2.08 2.95 0.13 1.61 6.04 -0.43 -4.90 117.35 120.67 3g2k s TYR 613 Ca 0.30 -1.13 -0.18 0.00 0.04 0.00 0.00 57.07 56.10 3g2k s TYR 613 Cb 0.20 -4.33 -0.04 0.00 -1.04 0.00 0.00 41.96 36.75 3g2k s TYR 613 CO 0.35 -1.58 1.79 1.25 -1.54 0.00 0.00 175.55 175.82 3g2k h HIS 614 N 9.12 0.33 -0.65 4.97 -0.00 -1.87 -2.42 115.15 124.62 3g2k h HIS 614 Ca 0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3g2k h HIS 614 Cb 1.03 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.30 3g2k h HIS 614 CO 1.13 0.20 0.40 1.98 -0.00 0.00 0.00 177.93 181.64 3g2k h MET 615 N 0.35 0.87 -0.57 5.26 1.85 -1.98 -1.38 114.93 119.33 3g2k h MET 615 Ca 0.10 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 3g2k h MET 615 Cb -0.03 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 31.78 3g2k h MET 615 CO -0.03 0.61 0.26 0.00 -0.40 0.00 0.00 176.91 177.36 3g2k h ALA 616 N 1.21 1.39 -0.26 0.39 0.00 -1.86 -0.51 119.26 119.62 3g2k h ALA 616 Ca 0.23 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3g2k h ALA 616 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3g2k h ALA 616 CO -0.04 0.48 -0.32 0.87 0.00 0.00 0.00 179.25 180.23 3g2k h LYS 617 N 0.81 0.55 -0.33 0.00 1.57 -0.94 -2.61 116.57 115.62 3g2k h LYS 617 Ca 0.20 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3g2k h LYS 617 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3g2k h LYS 617 CO -0.02 0.80 -0.16 0.52 -0.57 0.00 0.00 179.45 180.02 3g2k h MET 618 N 0.47 0.59 -0.53 3.15 2.86 -0.53 -2.50 114.93 118.44 3g2k h MET 618 Ca 0.06 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 3g2k h MET 618 Cb 0.79 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3g2k h MET 618 CO 0.06 0.73 0.02 0.82 1.06 0.00 0.00 176.91 179.61 3g2k h ILE 619 N 0.54 1.26 -0.29 -1.22 2.04 -0.94 -0.89 117.51 118.01 3g2k h ILE 619 Ca 0.09 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3g2k h ILE 619 Cb 0.58 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3g2k h ILE 619 CO 0.04 0.38 0.16 0.40 0.00 0.00 0.00 178.15 179.13 3g2k h ILE 620 N 0.79 1.02 -0.94 -0.67 2.04 -1.37 -1.66 117.51 116.72 3g2k h ILE 620 Ca 0.15 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3g2k h ILE 620 Cb 0.50 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3g2k h ILE 620 CO 0.02 0.06 0.62 0.50 0.00 0.00 0.00 178.15 179.36 3g2k h LYS 621 N 0.34 1.23 -0.37 2.37 1.63 -1.23 -2.17 116.57 118.37 3g2k h LYS 621 Ca 0.12 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3g2k h LYS 621 Cb 0.01 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.34 3g2k h LYS 621 CO -0.06 0.82 0.22 1.25 -3.45 0.00 0.00 179.45 178.23 3g2k h LEU 622 N 1.27 0.37 -0.25 5.20 6.46 -0.85 -0.31 115.31 127.21 3g2k h LEU 622 Ca 0.35 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 3g2k h LEU 622 Cb -0.14 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 3g2k h LEU 622 CO -0.08 0.27 0.13 0.40 -0.62 0.00 0.00 178.44 178.54 3g2k h ILE 623 N 0.46 1.00 -0.47 4.05 2.04 -0.83 0.11 117.51 123.87 3g2k h ILE 623 Ca 0.14 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3g2k h ILE 623 Cb -0.01 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3g2k h ILE 623 CO -0.06 0.05 -0.04 0.71 0.00 0.00 0.00 178.15 178.82 3g2k h THR 624 N 0.27 1.25 -0.76 -0.27 1.35 -1.32 -1.88 112.91 111.55 3g2k h THR 624 Ca 0.10 -1.07 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 3g2k h THR 624 Cb 0.02 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 3g2k h THR 624 CO -0.06 0.37 0.32 0.00 -0.25 0.00 0.00 175.52 175.90 3g2k h ALA 625 N 1.21 0.99 -0.42 6.62 0.00 -0.47 -0.29 119.26 126.90 3g2k h ALA 625 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3g2k h ALA 625 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g2k h ALA 625 CO 0.03 0.59 0.16 0.82 0.00 0.00 0.00 179.25 180.85 3g2k h ILE 626 N 1.09 1.21 -0.82 0.00 2.04 -0.82 -2.88 117.51 117.32 3g2k h ILE 626 Ca 0.26 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3g2k h ILE 626 Cb 0.18 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3g2k h ILE 626 CO -0.02 0.23 0.48 1.23 0.00 0.00 0.00 178.15 180.07 3g2k h GLY 627 N 0.53 1.26 1.73 5.37 0.00 -0.94 0.68 103.07 111.71 3g2k h GLY 627 Ca 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3g2k h GLY 627 CO -0.01 0.17 0.12 -0.55 0.00 0.00 0.00 176.54 176.27 3g2k h ASP 628 N 0.83 0.32 0.00 0.19 3.45 -0.86 0.19 116.42 120.54 3g2k h ASP 628 Ca 0.38 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.76 3g2k h ASP 628 Cb 0.30 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3g2k h ASP 628 CO -0.22 0.28 -0.37 0.58 -1.57 0.00 0.00 179.24 177.94 3g2k h VAL 629 N 0.36 1.49 -0.34 -1.35 2.07 -1.21 -3.38 116.25 113.90 3g2k h VAL 629 Ca 0.09 -2.26 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 3g2k h VAL 629 Cb 0.05 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 3g2k h VAL 629 CO -0.01 0.51 -0.05 0.58 0.02 0.00 0.00 177.57 178.61 3g2k h VAL 630 N -1.00 1.27 0.00 2.57 2.07 -0.81 -3.11 116.25 117.24 3g2k h VAL 630 Ca -0.10 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3g2k h VAL 630 Cb 1.06 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3g2k h VAL 630 CO -0.06 0.35 0.00 0.78 0.02 0.00 0.00 177.57 178.66 3g2k h ASN 631 N 0.42 0.00 -0.15 0.57 2.35 -1.17 -3.07 115.58 114.52 3g2k h ASN 631 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3g2k h ASN 631 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3g2k h ASN 631 CO 0.03 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.22 3g2k n HIS 632 N -2.38 0.20 -2.86 1.19 8.25 -1.22 -4.95 115.22 113.45 3g2k n HIS 632 Ca 0.03 -0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 56.66 3g2k n HIS 632 Cb 0.30 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 3g2k n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3g2k s ASP 633 N -0.90 6.73 0.36 0.41 -1.08 -1.16 -4.94 116.67 116.08 3g2k s ASP 633 Ca 0.11 0.73 0.08 0.00 -0.52 0.00 0.00 52.55 52.95 3g2k s ASP 633 Cb 0.06 -2.45 0.69 0.00 -1.46 0.00 0.00 42.92 39.76 3g2k s ASP 633 CO 0.08 -0.71 1.87 -0.65 0.52 0.00 0.00 175.17 176.28 3g2k h PRO 634 N 8.16 0.30 -0.14 4.34 0.11 -1.92 -2.58 132.00 140.27 3g2k h PRO 634 Ca -0.23 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3g2k h PRO 634 Cb 1.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3g2k h PRO 634 CO 0.93 0.46 -0.13 0.28 -0.21 0.00 0.00 178.00 179.33 3g2k h VAL 635 N 0.28 1.18 -0.34 3.15 2.07 -1.97 -2.69 116.25 117.93 3g2k h VAL 635 Ca 0.05 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 3g2k h VAL 635 Cb 0.44 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3g2k h VAL 635 CO 0.03 0.24 -0.31 0.58 0.02 0.00 0.00 177.57 178.13 3g2k h VAL 636 N 0.22 1.29 0.00 2.57 2.07 -1.80 -3.49 116.25 117.10 3g2k h VAL 636 Ca 0.04 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3g2k h VAL 636 Cb 0.37 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3g2k h VAL 636 CO 0.02 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.71 3g2k n GLY 637 N 0.12 1.87 0.92 2.17 0.00 -1.02 -2.61 105.19 106.64 3g2k n GLY 637 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.58 3g2k n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g2k n ASP 638 N 7.05 2.62 0.14 1.61 3.85 -1.26 -4.64 116.55 125.92 3g2k n ASP 638 Ca 0.00 -3.58 0.06 0.00 -0.71 0.00 0.00 54.79 50.56 3g2k n ASP 638 Cb 0.00 -0.58 0.04 0.00 -1.35 0.00 0.00 41.12 39.23 3g2k n ASP 638 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3g2k h ARG 639 N 1.05 0.00 -2.95 0.11 3.08 -1.84 -3.44 114.38 110.38 3g2k h ARG 639 Ca 0.13 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.97 3g2k h ARG 639 Cb 1.46 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.20 3g2k h ARG 639 CO 0.26 0.24 -0.52 -1.17 -1.07 0.00 0.00 179.97 177.72 3g2k s LEU 640 N -6.09 0.05 -0.03 3.04 2.96 -1.26 -1.35 118.68 116.01 3g2k s LEU 640 Ca 0.03 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 3g2k s LEU 640 Cb 0.07 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.45 3g2k s LEU 640 CO 0.74 -0.21 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.34 3g2k s ARG 641 N 1.87 1.03 -0.22 1.98 1.81 -0.85 -4.68 118.95 119.88 3g2k s ARG 641 Ca -0.04 -0.34 0.02 0.00 -1.72 0.00 0.00 55.73 53.65 3g2k s ARG 641 Cb -0.11 -0.95 0.04 0.00 -0.45 0.00 0.00 34.95 33.48 3g2k s ARG 641 CO -0.08 0.13 -0.15 0.08 -0.68 0.00 0.00 175.30 174.60 3g2k s VAL 642 N 0.14 2.06 -0.08 3.52 1.01 -1.26 -0.18 120.40 125.61 3g2k s VAL 642 Ca -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.73 3g2k s VAL 642 Cb -0.08 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3g2k s VAL 642 CO 0.01 0.23 -0.22 -0.63 0.00 0.00 0.00 175.10 174.48 3g2k s ILE 643 N 1.22 1.91 -0.30 2.22 1.09 -0.19 -4.54 121.20 122.60 3g2k s ILE 643 Ca -0.02 -0.95 -0.19 0.00 -1.10 0.00 0.00 60.65 58.39 3g2k s ILE 643 Cb -0.17 -1.65 -0.01 0.00 -1.06 0.00 0.00 42.46 39.57 3g2k s ILE 643 CO -0.09 0.53 0.55 0.12 -0.10 0.00 0.00 174.94 175.95 3g2k s PHE 644 N 0.24 3.22 -0.59 3.97 2.19 -1.26 -1.67 117.98 124.08 3g2k s PHE 644 Ca -0.14 0.48 -0.28 0.00 0.33 0.00 0.00 56.93 57.32 3g2k s PHE 644 Cb -0.16 -2.87 0.03 0.00 -1.31 0.00 0.00 43.02 38.70 3g2k s PHE 644 CO 0.07 -0.42 1.26 -0.51 1.83 0.00 0.00 175.22 177.45 3g2k s LEU 645 N 2.43 3.41 0.35 6.12 1.02 0.20 -4.97 118.68 127.24 3g2k s LEU 645 Ca 0.22 0.10 -0.27 0.00 0.02 0.00 0.00 54.13 54.20 3g2k s LEU 645 Cb -0.15 -3.07 -0.09 0.00 0.02 0.00 0.00 46.19 42.89 3g2k s LEU 645 CO 0.11 -1.58 1.14 -0.70 0.02 0.00 0.00 176.35 175.34 3g2k s GLU 646 N 5.19 4.29 -1.34 1.70 2.12 -1.26 -3.98 118.70 125.42 3g2k s GLU 646 Ca 0.45 1.82 -0.07 0.00 0.36 0.00 0.00 54.97 57.53 3g2k s GLU 646 Cb -0.08 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.46 3g2k s GLU 646 CO 0.24 -0.11 1.09 -1.71 -0.54 0.00 0.00 175.26 174.24 3g2k n ASN 647 N 0.48 -4.84 -4.69 -1.70 5.15 -1.25 -4.92 115.26 103.49 3g2k n ASN 647 Ca 0.02 -0.60 -0.45 0.00 -0.60 0.00 0.00 54.58 52.95 3g2k n ASN 647 Cb 0.46 -4.88 -0.04 0.00 -0.53 0.00 0.00 39.78 34.79 3g2k n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g2k n TYR 648 N -4.72 2.45 -3.81 1.20 9.36 -1.26 -4.87 117.16 115.51 3g2k n TYR 648 Ca -0.08 0.19 -0.05 0.00 3.32 0.00 0.00 57.90 61.29 3g2k n TYR 648 Cb 0.59 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 3g2k n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3g2k s ARG 649 N 0.93 1.51 0.16 2.98 1.70 -1.26 -4.73 118.95 120.26 3g2k s ARG 649 Ca 0.77 -0.90 -0.17 0.00 -0.47 0.00 0.00 55.73 54.96 3g2k s ARG 649 Cb -0.61 0.47 0.09 0.00 -0.57 0.00 0.00 34.95 34.33 3g2k s ARG 649 CO 0.36 -0.70 1.68 0.28 -1.08 0.00 0.00 175.30 175.85 3g2k h VAL 650 N 2.00 0.66 -0.34 4.99 2.07 -1.96 -0.33 116.25 123.34 3g2k h VAL 650 Ca -0.26 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3g2k h VAL 650 Cb 1.23 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3g2k h VAL 650 CO 0.30 0.01 0.14 0.77 0.02 0.00 0.00 177.57 178.81 3g2k h SER 651 N 0.04 0.42 0.14 0.57 4.64 -1.97 -1.59 113.55 115.80 3g2k h SER 651 Ca 0.19 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.26 3g2k h SER 651 Cb 0.28 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3g2k h SER 651 CO -0.36 0.38 -0.80 0.25 -0.87 0.00 0.00 176.83 175.44 3g2k h LEU 652 N 0.48 0.64 -0.93 5.97 5.85 -1.66 -3.19 115.31 122.46 3g2k h LEU 652 Ca 0.12 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3g2k h LEU 652 Cb 0.09 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3g2k h LEU 652 CO -0.01 1.21 0.60 0.00 -0.34 0.00 0.00 178.44 179.90 3g2k h ALA 653 N 0.77 1.26 0.00 1.25 0.00 -0.24 -0.54 119.26 121.76 3g2k h ALA 653 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g2k h ALA 653 Cb 1.40 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g2k h ALA 653 CO 0.15 0.42 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 3g2k h GLU 654 N 1.13 0.00 0.03 0.00 5.08 -1.31 -1.84 114.58 117.67 3g2k h GLU 654 Ca 0.39 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.50 3g2k h GLU 654 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3g2k h GLU 654 CO -0.15 0.07 -1.33 0.87 -1.00 0.00 0.00 179.01 177.47 3g2k h LYS 655 N 0.00 0.06 0.12 2.33 1.57 -1.29 -3.41 116.57 115.95 3g2k h LYS 655 Ca -0.00 -0.11 -0.27 0.00 -1.87 0.00 0.00 60.65 58.39 3g2k h LYS 655 Cb 0.23 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3g2k h LYS 655 CO 0.01 1.05 -1.21 -0.24 -0.57 0.00 0.00 179.45 178.49 3g2k h VAL 656 N -0.77 1.43 -0.15 0.50 3.04 -1.04 -3.34 116.25 115.92 3g2k h VAL 656 Ca -0.34 -2.83 0.00 0.00 -1.01 0.00 0.00 66.70 62.53 3g2k h VAL 656 Cb 1.45 2.82 -0.01 0.00 -2.01 0.00 0.00 31.29 33.54 3g2k h VAL 656 CO -0.13 0.83 0.10 0.40 -1.01 0.00 0.00 177.57 177.76 3g2k h ILE 657 N 0.14 1.04 -0.04 3.17 2.04 -1.57 -1.52 117.51 120.75 3g2k h ILE 657 Ca -0.14 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3g2k h ILE 657 Cb 1.91 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3g2k h ILE 657 CO 0.21 0.04 0.09 -0.65 0.00 0.00 0.00 178.15 177.84 3g2k h PRO 658 N 0.20 0.00 -0.00 2.37 0.11 -1.79 -2.41 132.00 130.47 3g2k h PRO 658 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3g2k h PRO 658 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3g2k h PRO 658 CO -0.01 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 177.37 3g2k n ALA 659 N -2.17 3.38 -1.88 -0.75 0.00 -0.61 -4.76 120.51 113.72 3g2k n ALA 659 Ca -0.02 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 3g2k n ALA 659 Cb 0.17 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 3g2k n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g2k s ALA 660 N -2.82 3.31 -0.23 0.00 0.00 -0.91 -4.61 121.76 116.50 3g2k s ALA 660 Ca 0.16 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 3g2k s ALA 660 Cb 0.18 -3.07 -0.19 0.00 0.00 0.00 0.00 23.12 20.04 3g2k s ALA 660 CO 0.63 0.23 -0.10 -0.25 0.00 0.00 0.00 175.76 176.28 3g2k n ASP 661 N 0.86 2.01 -4.02 0.00 8.00 -0.70 -4.11 116.55 118.60 3g2k n ASP 661 Ca -0.01 -0.06 -0.26 0.00 0.71 0.00 0.00 54.79 55.18 3g2k n ASP 661 Cb 0.50 -0.52 -0.17 0.00 -0.02 0.00 0.00 41.12 40.91 3g2k n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3g2k s LEU 662 N -6.65 1.59 -0.28 0.64 0.20 -0.57 -0.86 118.68 112.76 3g2k s LEU 662 Ca -0.32 -0.33 -0.10 0.00 0.69 0.00 0.00 54.13 54.06 3g2k s LEU 662 Cb 0.09 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.91 3g2k s LEU 662 CO 0.64 0.01 0.16 -0.55 -0.29 0.00 0.00 176.35 176.31 3g2k s SER 663 N 0.90 5.76 -0.41 3.68 0.15 0.47 -1.32 113.70 122.93 3g2k s SER 663 Ca -0.10 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 3g2k s SER 663 Cb -0.15 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.11 3g2k s SER 663 CO 0.01 -0.07 0.66 -1.61 1.20 0.00 0.00 173.24 173.43 3g2k s GLU 664 N 1.71 3.45 -0.56 5.44 0.41 -0.69 -1.67 118.70 126.78 3g2k s GLU 664 Ca 0.07 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.51 3g2k s GLU 664 Cb -0.16 -3.89 0.20 0.00 -1.78 0.00 0.00 34.13 28.50 3g2k s GLU 664 CO 0.09 -0.92 0.52 1.04 -0.49 0.00 0.00 175.26 175.49 3g2k n GLN 665 N 6.24 1.38 -0.65 1.61 1.13 -0.52 -4.78 117.38 121.79 3g2k n GLN 665 Ca -0.01 -3.99 0.05 0.00 -1.94 0.00 0.00 57.00 51.12 3g2k n GLN 665 Cb 0.48 -1.95 0.20 0.00 0.11 0.00 0.00 30.24 29.08 3g2k n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3g2k n ILE 666 N 1.85 2.18 -1.74 5.09 -5.35 -1.26 -2.39 119.36 117.75 3g2k n ILE 666 Ca 0.25 -3.23 -0.38 0.00 -0.27 0.00 0.00 62.75 59.12 3g2k n ILE 666 Cb 0.43 -0.24 0.05 0.00 -1.74 0.00 0.00 39.64 38.14 3g2k n ILE 666 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3g2k n SER 667 N -1.08 2.48 -4.71 7.28 3.41 -1.26 -4.64 113.62 115.11 3g2k n SER 667 Ca 0.19 0.93 -0.43 0.00 -0.26 0.00 0.00 58.87 59.30 3g2k n SER 667 Cb 0.70 -1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 3g2k n SER 667 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g2k n THR 668 N -1.29 0.38 -1.61 6.66 -1.04 -1.16 -4.67 114.28 111.55 3g2k n THR 668 Ca 0.12 -0.10 -0.49 0.00 -2.04 0.00 0.00 64.05 61.55 3g2k n THR 668 Cb 0.46 -1.79 -0.04 0.00 -1.82 0.00 0.00 70.33 67.13 3g2k n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g2k n ALA 669 N 3.09 -0.25 -0.32 2.41 0.00 -1.26 -2.21 120.51 121.97 3g2k n ALA 669 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3g2k n ALA 669 Cb 0.33 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3g2k n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g2k n GLY 670 N 2.39 0.71 0.05 0.00 0.00 -1.26 -4.72 105.19 102.36 3g2k n GLY 670 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3g2k n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g2k n THR 671 N -2.08 0.63 -2.94 2.61 -2.24 -0.94 -4.89 114.28 104.43 3g2k n THR 671 Ca 0.00 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 3g2k n THR 671 Cb 0.00 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 3g2k n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3g2k s GLU 672 N -2.22 3.30 0.19 -0.78 2.56 -1.26 -4.74 118.70 115.75 3g2k s GLU 672 Ca -0.11 -0.38 -0.14 0.00 0.00 0.00 0.00 54.97 54.35 3g2k s GLU 672 Cb 0.03 -4.04 0.21 0.00 2.00 0.00 0.00 34.13 32.33 3g2k s GLU 672 CO 0.30 -1.35 1.66 0.00 -0.56 0.00 0.00 175.26 175.31 3g2k h ALA 673 N 9.17 0.44 0.00 6.30 0.00 -1.90 -2.97 119.26 130.30 3g2k h ALA 673 Ca -0.26 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g2k h ALA 673 Cb 1.08 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3g2k h ALA 673 CO 1.03 -0.42 -0.01 0.45 0.00 0.00 0.00 179.25 180.31 3g2k n SER 674 N -5.31 -0.12 0.00 0.00 2.88 -1.26 -4.19 113.62 105.62 3g2k n SER 674 Ca 0.06 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 3g2k n SER 674 Cb 0.29 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 3g2k n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g2k n GLY 675 N 1.56 -2.20 0.00 0.46 0.00 -1.26 -0.66 105.19 103.09 3g2k n GLY 675 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3g2k n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g2k n THR 676 N -0.89 0.00 -0.26 2.61 -2.24 -1.26 -4.74 114.28 107.49 3g2k n THR 676 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3g2k n THR 676 Cb 0.00 -0.24 0.19 0.00 -2.10 0.00 0.00 70.33 68.18 3g2k n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3g2k h GLY 677 N 0.00 1.18 -0.14 3.38 0.00 -1.95 -1.73 103.07 103.80 3g2k h GLY 677 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 47.33 47.32 3g2k h GLY 677 CO 0.00 -0.06 0.20 3.45 0.00 0.00 0.00 176.54 180.13 3g2k h ASN 678 N 0.50 0.03 0.00 0.19 -0.00 -1.94 -2.35 115.58 112.01 3g2k h ASN 678 Ca 0.42 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.87 3g2k h ASN 678 Cb 0.60 0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 3g2k h ASN 678 CO -0.37 -0.05 0.00 0.23 -0.00 0.00 0.00 177.43 177.23 3g2k n MET 679 N -5.16 0.37 0.00 4.14 2.81 -0.65 -2.14 117.12 116.48 3g2k n MET 679 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3g2k n MET 679 Cb 0.51 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 3g2k n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3g2k n PHE 681 N 0.81 0.00 -0.27 2.03 3.72 -0.89 -1.66 117.46 121.19 3g2k n PHE 681 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3g2k n PHE 681 Cb 0.18 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.78 3g2k n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3g2k h MET 682 N 0.00 1.00 0.00 -1.08 4.05 -1.64 -2.18 114.93 115.09 3g2k h MET 682 Ca 0.00 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 3g2k h MET 682 Cb 0.00 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 3g2k h MET 682 CO 0.00 0.70 -0.18 1.25 0.23 0.00 0.00 176.91 178.91 3g2k h LEU 683 N 1.02 0.00 -2.92 3.39 5.85 -1.61 -3.24 115.31 117.80 3g2k h LEU 683 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3g2k h LEU 683 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3g2k h LEU 683 CO -0.05 0.18 0.00 0.59 -0.34 0.00 0.00 178.44 178.81 3g2k n ASN 684 N -3.40 3.57 0.00 1.25 3.02 -1.01 -4.91 115.26 113.77 3g2k n ASN 684 Ca -0.00 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 3g2k n ASN 684 Cb 0.37 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3g2k n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g2k n GLY 685 N 0.81 1.01 3.80 7.41 0.00 -1.08 -4.78 105.19 112.37 3g2k n GLY 685 Ca 0.18 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3g2k n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2k s ALA 686 N -2.00 3.64 0.47 4.61 0.00 -0.85 -4.80 121.76 122.83 3g2k s ALA 686 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3g2k s ALA 686 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3g2k s ALA 686 CO 0.00 0.71 0.84 -0.51 0.00 0.00 0.00 175.76 176.80 3g2k s LEU 687 N -1.90 3.65 -0.16 0.00 1.43 -0.04 -4.40 118.68 117.25 3g2k s LEU 687 Ca 0.25 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 3g2k s LEU 687 Cb -0.12 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 3g2k s LEU 687 CO 0.16 -0.55 -0.10 -0.89 0.23 0.00 0.00 176.35 175.20 3g2k s THR 688 N -2.64 3.12 -0.24 5.49 2.01 -1.26 -0.39 115.64 121.72 3g2k s THR 688 Ca 0.51 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 3g2k s THR 688 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3g2k s THR 688 CO 0.39 0.49 0.12 -0.51 -0.69 0.00 0.00 174.62 174.42 3g2k s ILE 689 N 0.76 4.84 0.08 1.82 2.07 -0.67 -1.40 121.20 128.71 3g2k s ILE 689 Ca -0.04 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.94 3g2k s ILE 689 Cb -0.15 -3.26 0.08 0.00 0.13 0.00 0.00 42.46 39.26 3g2k s ILE 689 CO 0.01 0.34 0.72 -0.83 -1.91 0.00 0.00 174.94 173.27 3g2k s GLY 690 N 1.35 -0.55 0.70 1.50 0.00 -0.50 -1.44 107.32 108.38 3g2k s GLY 690 Ca 0.06 0.75 -0.11 0.00 0.00 0.00 0.00 44.72 45.41 3g2k s GLY 690 CO 0.05 0.27 1.09 -0.51 0.00 0.00 0.00 173.10 174.00 3g2k s THR 691 N -3.38 3.67 -1.40 0.90 -4.23 -1.00 -2.32 115.64 107.88 3g2k s THR 691 Ca 0.02 0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 60.92 3g2k s THR 691 Cb -0.01 -3.52 0.05 0.00 1.34 0.00 0.00 72.50 70.36 3g2k s THR 691 CO -0.10 -0.71 2.06 0.23 -0.54 0.00 0.00 174.62 175.56 3g2k n MET 692 N -2.99 2.95 -4.17 3.99 2.81 -1.26 -4.70 117.12 113.75 3g2k n MET 692 Ca 0.07 -2.82 -0.17 0.00 -1.81 0.00 0.00 57.70 52.97 3g2k n MET 692 Cb 0.57 -3.36 -0.12 0.00 -0.71 0.00 0.00 33.22 29.60 3g2k n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3g2k s ASP 693 N 3.57 1.45 0.56 7.83 3.68 -1.26 -4.65 116.67 127.85 3g2k s ASP 693 Ca 0.49 -0.56 0.00 0.00 2.13 0.00 0.00 52.55 54.61 3g2k s ASP 693 Cb 0.11 -0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.54 3g2k s ASP 693 CO -0.03 -0.09 0.00 0.61 0.13 0.00 0.00 175.17 175.79 3g2k n GLY 694 N 1.45 2.51 0.08 2.66 0.00 -1.12 -1.45 105.19 109.32 3g2k n GLY 694 Ca -0.21 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3g2k n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g2k n ALA 695 N 7.85 1.99 -0.33 4.61 0.00 0.16 -3.24 120.51 131.54 3g2k n ALA 695 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3g2k n ALA 695 Cb 0.00 -1.41 0.32 0.00 0.00 0.00 0.00 19.45 18.36 3g2k n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3g2k h ASN 696 N 0.00 0.64 -0.39 0.00 2.35 -1.45 0.24 115.58 116.97 3g2k h ASN 696 Ca 0.00 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3g2k h ASN 696 Cb 0.50 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3g2k h ASN 696 CO 0.00 0.17 0.17 0.58 -1.65 0.00 0.00 177.43 176.71 3g2k h VAL 697 N 0.63 0.94 -0.03 2.81 2.07 -1.64 -0.34 116.25 120.70 3g2k h VAL 697 Ca 0.57 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.79 3g2k h VAL 697 Cb 0.97 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3g2k h VAL 697 CO -0.43 0.06 -0.79 -0.33 0.02 0.00 0.00 177.57 176.10 3g2k h GLU 698 N 0.36 0.26 -0.19 1.57 5.08 -1.52 -1.94 114.58 118.20 3g2k h GLU 698 Ca 0.17 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3g2k h GLU 698 Cb 0.11 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3g2k h GLU 698 CO -0.14 0.93 0.11 0.52 -1.00 0.00 0.00 179.01 179.42 3g2k h MET 699 N 0.16 0.26 -0.88 2.33 2.86 -0.68 -0.21 114.93 118.78 3g2k h MET 699 Ca -0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3g2k h MET 699 Cb 1.38 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.95 3g2k h MET 699 CO 0.13 0.23 0.44 0.00 1.06 0.00 0.00 176.91 178.77 3g2k h ALA 700 N 1.01 1.13 -0.67 6.32 0.00 -1.05 -1.33 119.26 124.67 3g2k h ALA 700 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3g2k h ALA 700 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3g2k h ALA 700 CO -0.01 0.67 0.41 1.49 0.00 0.00 0.00 179.25 181.81 3g2k h GLU 701 N 1.24 0.91 -0.24 0.00 4.81 -1.12 0.27 114.58 120.44 3g2k h GLU 701 Ca 0.30 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3g2k h GLU 701 Cb 0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3g2k h GLU 701 CO -0.04 0.64 -0.08 0.93 -0.73 0.00 0.00 179.01 179.72 3g2k h GLU 702 N 0.91 0.48 0.00 1.92 4.39 -0.69 -3.30 114.58 118.30 3g2k h GLU 702 Ca 0.24 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3g2k h GLU 702 Cb -0.04 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3g2k h GLU 702 CO -0.05 0.72 -0.78 0.00 -1.16 0.00 0.00 179.01 177.75 3g2k h ALA 703 N 0.75 0.68 0.00 3.43 0.00 -1.19 -3.47 119.26 119.46 3g2k h ALA 703 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3g2k h ALA 703 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g2k h ALA 703 CO 0.03 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3g2k n GLY 704 N 1.26 1.71 0.32 0.00 0.00 0.93 -4.65 105.19 104.76 3g2k n GLY 704 Ca -0.02 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.75 3g2k n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g2k h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.85 -0.45 114.58 118.97 3g2k h GLU 705 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g2k h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g2k h GLU 705 CO 0.00 0.00 -0.08 0.93 -1.00 0.00 0.00 179.01 178.86 3g2k h GLU 706 N 0.00 0.00 -0.72 2.33 3.07 -1.90 -2.53 114.58 114.84 3g2k h GLU 706 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3g2k h GLU 706 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3g2k h GLU 706 CO -0.00 0.08 0.00 0.09 -1.40 0.00 0.00 179.01 177.78 3g2k n ASN 707 N -3.71 4.19 -4.24 1.42 3.02 -0.18 -4.91 115.26 110.85 3g2k n ASN 707 Ca -0.02 -2.13 -0.23 0.00 -0.03 0.00 0.00 54.58 52.17 3g2k n ASN 707 Cb 0.19 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 3g2k n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3g2k s PHE 708 N -1.27 1.63 -1.12 3.10 0.40 -0.95 -4.81 117.98 114.96 3g2k s PHE 708 Ca 0.50 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.32 3g2k s PHE 708 Cb 0.28 -0.93 0.25 0.00 0.51 0.00 0.00 43.02 43.13 3g2k s PHE 708 CO 0.31 0.13 1.18 -0.06 0.70 0.00 0.00 175.22 177.48 3g2k s PHE 709 N -1.04 4.06 0.01 0.36 0.08 -0.49 -4.95 117.98 116.00 3g2k s PHE 709 Ca 0.05 -2.52 -0.18 0.00 0.12 0.00 0.00 56.93 54.40 3g2k s PHE 709 Cb -0.09 -3.96 -0.06 0.00 -0.57 0.00 0.00 43.02 38.34 3g2k s PHE 709 CO 0.03 -1.07 0.53 0.42 -0.10 0.00 0.00 175.22 175.03 3g2k s ILE 710 N -0.47 4.91 0.19 0.64 1.01 -1.26 -1.40 121.20 124.82 3g2k s ILE 710 Ca 0.33 1.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.98 3g2k s ILE 710 Cb -0.08 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3g2k s ILE 710 CO -0.06 0.49 0.35 0.72 0.00 0.00 0.00 174.94 176.44 3g2k s PHE 711 N -0.59 0.39 0.00 3.97 -0.71 -0.98 -4.97 117.98 115.09 3g2k s PHE 711 Ca 0.28 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 3g2k s PHE 711 Cb -0.18 0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 3g2k s PHE 711 CO 0.16 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.64 3g2k n GLY 712 N -0.28 -0.62 3.77 1.99 0.00 -1.26 -4.23 105.19 104.57 3g2k n GLY 712 Ca -0.05 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3g2k n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g2k s MET 713 N -1.10 3.93 0.64 1.61 -1.94 -1.26 -4.89 119.30 116.29 3g2k s MET 713 Ca 0.00 2.55 -0.05 0.00 -1.71 0.00 0.00 55.69 56.48 3g2k s MET 713 Cb 0.00 -2.85 0.04 0.00 2.01 0.00 0.00 34.83 34.04 3g2k s MET 713 CO 0.00 -0.67 0.93 1.03 -0.01 0.00 0.00 175.02 176.31 3g2k s ARG 714 N -2.25 2.42 0.28 2.03 1.81 -1.26 -4.53 118.95 117.45 3g2k s ARG 714 Ca 0.56 -0.33 0.01 0.00 -1.72 0.00 0.00 55.73 54.25 3g2k s ARG 714 Cb -0.46 -2.27 0.67 0.00 -0.45 0.00 0.00 34.95 32.45 3g2k s ARG 714 CO 0.61 -1.01 1.67 0.28 -0.68 0.00 0.00 175.30 176.18 3g2k h VAL 715 N -0.35 0.42 -0.81 3.52 2.07 -1.84 -0.81 116.25 118.44 3g2k h VAL 715 Ca -0.44 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3g2k h VAL 715 Cb 1.30 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3g2k h VAL 715 CO 0.59 0.05 0.43 -0.33 0.02 0.00 0.00 177.57 178.33 3g2k h GLU 716 N 0.30 1.14 -0.33 1.57 3.07 -1.96 -1.94 114.58 116.43 3g2k h GLU 716 Ca 0.53 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 3g2k h GLU 716 Cb 1.02 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 3g2k h GLU 716 CO -0.58 0.85 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.24 3g2k h ASP 717 N 1.14 0.62 -0.21 1.42 3.45 -1.54 -1.46 116.42 119.86 3g2k h ASP 717 Ca 0.29 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3g2k h ASP 717 Cb 0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3g2k h ASP 717 CO -0.04 0.83 0.06 0.58 -1.57 0.00 0.00 179.24 179.10 3g2k h VAL 718 N 0.55 1.19 -0.39 -1.35 2.07 -0.99 -2.00 116.25 115.32 3g2k h VAL 718 Ca 0.08 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 67.06 3g2k h VAL 718 Cb 0.65 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3g2k h VAL 718 CO 0.05 0.19 0.08 0.44 0.02 0.00 0.00 177.57 178.35 3g2k h ASP 719 N 0.16 0.02 -0.84 0.57 3.32 -1.19 -0.71 116.42 117.76 3g2k h ASP 719 Ca 0.07 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.20 3g2k h ASP 719 Cb 0.23 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3g2k h ASP 719 CO -0.00 0.05 0.55 0.03 -1.72 0.00 0.00 179.24 178.15 3g2k h ARG 720 N 0.21 1.06 -0.33 3.56 3.08 -1.20 -1.77 114.38 119.00 3g2k h ARG 720 Ca 0.19 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3g2k h ARG 720 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3g2k h ARG 720 CO -0.24 0.70 -0.39 1.25 -1.07 0.00 0.00 179.97 180.22 3g2k h LEU 721 N 1.09 0.83 -0.66 3.04 6.46 -0.72 -2.72 115.31 122.64 3g2k h LEU 721 Ca 0.32 -0.37 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3g2k h LEU 721 Cb -0.05 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.62 3g2k h LEU 721 CO -0.08 1.12 0.14 0.44 -0.62 0.00 0.00 178.44 179.44 3g2k h ASP 722 N 0.64 1.01 -0.62 1.25 3.32 -0.67 0.29 116.42 121.64 3g2k h ASP 722 Ca 0.05 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3g2k h ASP 722 Cb 0.94 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3g2k h ASP 722 CO 0.09 0.99 0.20 1.56 -1.72 0.00 0.00 179.24 180.36 3g2k h GLN 723 N 0.99 0.96 -0.04 3.56 4.20 -1.28 -2.88 115.11 120.62 3g2k h GLN 723 Ca 0.20 -0.21 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3g2k h GLN 723 Cb 0.39 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3g2k h GLN 723 CO 0.01 0.85 -0.85 -0.09 -0.67 0.00 0.00 178.83 178.07 3g2k h ARG 724 N 0.89 0.46 0.00 1.46 2.43 -1.40 -3.50 114.38 114.71 3g2k h ARG 724 Ca 0.20 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3g2k h ARG 724 Cb 0.29 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3g2k h ARG 724 CO -0.01 1.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.94 3g2k n GLY 725 N 0.79 1.77 3.63 2.80 0.00 0.10 -5.02 105.19 109.26 3g2k n GLY 725 Ca -0.06 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3g2k n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g2k s TYR 726 N 0.00 2.82 -0.36 1.61 5.04 -1.19 -4.89 117.35 120.37 3g2k s TYR 726 Ca 0.00 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.55 3g2k s TYR 726 Cb 0.00 -3.89 0.08 0.00 0.35 0.00 0.00 41.96 38.50 3g2k s TYR 726 CO 0.00 -1.43 0.12 1.21 -1.34 0.00 0.00 175.55 174.11 3g2k s ASN 727 N 2.47 5.14 0.35 4.32 3.04 -1.26 -4.98 114.94 124.01 3g2k s ASN 727 Ca 0.53 -1.65 0.09 0.00 0.04 0.00 0.00 52.86 51.87 3g2k s ASN 727 Cb -0.15 -1.79 0.65 0.00 -1.54 0.00 0.00 41.25 38.42 3g2k s ASN 727 CO 0.22 -0.42 1.82 0.00 -3.04 0.00 0.00 177.10 175.68 3g2k h ALA 728 N 8.05 1.34 -0.98 1.71 0.00 -1.88 -2.97 119.26 124.53 3g2k h ALA 728 Ca -0.17 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.54 3g2k h ALA 728 Cb 1.06 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3g2k h ALA 728 CO 0.63 0.46 0.62 0.37 0.00 0.00 0.00 179.25 181.33 3g2k h GLN 729 N 0.17 0.96 -0.59 0.00 5.75 -1.92 -1.97 115.11 117.50 3g2k h GLN 729 Ca 0.02 -0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.59 3g2k h GLN 729 Cb 0.60 -0.22 -0.10 0.00 1.07 0.00 0.00 27.48 28.83 3g2k h GLN 729 CO 0.04 0.63 -0.01 1.49 -2.65 0.00 0.00 178.83 178.34 3g2k h GLU 730 N 0.98 0.11 -0.28 1.69 4.81 -1.95 0.13 114.58 120.07 3g2k h GLU 730 Ca 0.48 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.62 3g2k h GLU 730 Cb 0.46 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3g2k h GLU 730 CO -0.24 0.07 -0.13 1.88 -0.73 0.00 0.00 179.01 179.86 3g2k h TYR 731 N 0.11 0.66 -0.86 0.92 -1.99 -1.53 -2.51 116.97 111.76 3g2k h TYR 731 Ca 0.30 -0.16 0.10 0.00 2.00 0.00 0.00 58.73 60.97 3g2k h TYR 731 Cb 0.48 -0.15 -0.08 0.00 2.00 0.00 0.00 36.73 38.98 3g2k h TYR 731 CO -0.36 0.82 0.50 -0.92 -0.00 0.00 0.00 178.16 178.20 3g2k h TYR 732 N 0.31 0.91 -0.20 4.88 5.03 -1.02 -0.93 116.97 125.96 3g2k h TYR 732 Ca 0.06 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.28 3g2k h TYR 732 Cb 0.64 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 3g2k h TYR 732 CO 0.06 0.36 -0.39 -0.44 -1.32 0.00 0.00 178.16 176.43 3g2k h ASP 733 N 0.83 0.47 -0.00 -2.11 3.32 -0.62 -3.33 116.42 114.97 3g2k h ASP 733 Ca 0.42 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3g2k h ASP 733 Cb 0.40 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3g2k h ASP 733 CO -0.26 0.81 -0.81 0.54 -1.72 0.00 0.00 179.24 177.81 3g2k n ARG 734 N -4.04 0.89 -4.00 3.56 1.74 -0.95 -4.79 116.66 109.08 3g2k n ARG 734 Ca -0.01 -0.16 -0.31 0.00 -0.77 0.00 0.00 57.85 56.60 3g2k n ARG 734 Cb 0.49 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.39 3g2k n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g2k s ILE 735 N -2.69 2.16 0.34 0.55 1.01 -0.39 -4.99 121.20 117.18 3g2k s ILE 735 Ca 0.09 -2.24 0.03 0.00 0.00 0.00 0.00 60.65 58.53 3g2k s ILE 735 Cb 0.15 -2.59 0.20 0.00 0.01 0.00 0.00 42.46 40.23 3g2k s ILE 735 CO 0.73 -0.58 1.93 -0.65 0.00 0.00 0.00 174.94 176.36 3g2k h PRO 736 N 7.66 0.64 -0.43 2.79 0.11 -1.86 -1.29 132.00 139.62 3g2k h PRO 736 Ca -0.05 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 3g2k h PRO 736 Cb 1.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3g2k h PRO 736 CO 0.51 0.55 -0.05 0.93 -0.21 0.00 0.00 178.00 179.74 3g2k h GLU 737 N 0.64 0.72 -0.23 1.05 5.08 -1.95 -1.79 114.58 118.09 3g2k h GLU 737 Ca 0.15 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3g2k h GLU 737 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3g2k h GLU 737 CO -0.01 0.77 -0.52 1.25 -1.00 0.00 0.00 179.01 179.49 3g2k h LEU 738 N 0.67 0.87 -0.58 1.33 5.85 -1.80 -3.10 115.31 118.55 3g2k h LEU 738 Ca 0.13 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3g2k h LEU 738 Cb 0.48 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3g2k h LEU 738 CO 0.02 1.26 0.31 -0.09 -0.34 0.00 0.00 178.44 179.61 3g2k h ARG 739 N 0.51 0.57 -0.68 1.25 2.43 -1.08 -2.25 114.38 115.13 3g2k h ARG 739 Ca 0.00 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3g2k h ARG 739 Cb 1.14 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 3g2k h ARG 739 CO 0.12 0.38 0.36 0.37 -1.51 0.00 0.00 179.97 179.69 3g2k h GLN 740 N 0.59 0.63 -0.28 0.20 4.15 -1.35 -1.08 115.11 117.98 3g2k h GLN 740 Ca 0.26 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 3g2k h GLN 740 Cb 0.15 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3g2k h GLN 740 CO -0.16 0.42 0.09 0.82 -1.93 0.00 0.00 178.83 178.06 3g2k h ILE 741 N 0.65 1.20 -0.56 2.39 2.04 -1.37 -0.12 117.51 121.74 3g2k h ILE 741 Ca 0.31 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3g2k h ILE 741 Cb 0.24 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3g2k h ILE 741 CO -0.21 0.21 0.37 0.40 0.00 0.00 0.00 178.15 178.92 3g2k h ILE 742 N 0.29 1.15 -0.77 -0.67 1.08 -1.17 -0.14 117.51 117.27 3g2k h ILE 742 Ca 0.09 -0.27 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 3g2k h ILE 742 Cb 0.24 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 3g2k h ILE 742 CO -0.00 0.14 0.30 -0.33 -0.69 0.00 0.00 178.15 177.57 3g2k h GLU 743 N 0.76 1.16 -0.51 2.37 5.08 -1.04 -0.15 114.58 122.27 3g2k h GLU 743 Ca 0.21 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3g2k h GLU 743 Cb -0.08 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3g2k h GLU 743 CO -0.04 0.95 0.32 1.96 -1.00 0.00 0.00 179.01 181.20 3g2k h GLN 744 N 1.12 0.64 -0.39 2.33 4.20 -0.50 -1.01 115.11 121.51 3g2k h GLN 744 Ca 0.26 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3g2k h GLN 744 Cb 0.23 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3g2k h GLN 744 CO -0.02 0.42 0.10 -0.07 -0.67 0.00 0.00 178.83 178.59 3g2k h LEU 745 N 0.66 0.58 -0.24 1.46 3.38 -0.69 -1.58 115.31 118.88 3g2k h LEU 745 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3g2k h LEU 745 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3g2k h LEU 745 CO -0.06 0.65 0.05 0.28 0.09 0.00 0.00 178.44 179.45 3g2k h SER 746 N 0.48 0.36 1.17 -0.43 0.02 -0.89 -3.24 113.55 111.01 3g2k h SER 746 Ca 0.12 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3g2k h SER 746 Cb 0.29 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3g2k h SER 746 CO -0.00 0.51 0.00 0.77 -1.14 0.00 0.00 176.83 176.97 3g2k h SER 747 N 0.20 0.00 0.00 3.07 4.64 -1.22 -3.42 113.55 116.83 3g2k h SER 747 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3g2k h SER 747 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3g2k h SER 747 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3g2k n GLY 748 N 0.56 1.47 0.37 -0.77 0.00 -1.14 -4.83 105.19 100.85 3g2k n GLY 748 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 3g2k n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g2k h PHE 749 N 0.00 1.19 -0.23 1.61 3.04 -1.55 -2.43 116.94 118.58 3g2k h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3g2k h PHE 749 Cb 0.01 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.12 3g2k h PHE 749 CO 0.00 0.76 0.00 1.19 -2.02 0.00 0.00 178.31 178.24 3g2k n PHE 750 N -4.38 0.29 -2.98 0.41 3.72 -1.26 -4.54 117.46 108.72 3g2k n PHE 750 Ca 0.11 -0.14 -0.14 0.00 -0.05 0.00 0.00 57.45 57.22 3g2k n PHE 750 Cb 0.03 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 3g2k n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3g2k n SER 751 N 1.04 -1.99 -0.04 4.37 3.41 -0.95 -4.78 113.62 114.68 3g2k n SER 751 Ca 0.17 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 3g2k n SER 751 Cb 0.51 0.82 0.29 0.00 -0.26 0.00 0.00 64.21 65.57 3g2k n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3g2k h PRO 752 N 4.70 0.62 -0.05 4.33 0.11 -1.71 -2.71 132.00 137.30 3g2k h PRO 752 Ca 0.05 -0.11 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 3g2k h PRO 752 Cb 1.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3g2k h PRO 752 CO 0.26 0.57 -0.85 0.87 -0.21 0.00 0.00 178.00 178.63 3g2k h LYS 753 N 0.61 0.48 -3.07 1.05 1.57 -1.96 -3.37 116.57 111.86 3g2k h LYS 753 Ca 0.14 -0.45 -0.62 0.00 -1.87 0.00 0.00 60.65 57.85 3g2k h LYS 753 Cb 0.23 0.11 -0.41 0.00 0.08 0.00 0.00 32.23 32.23 3g2k h LYS 753 CO -0.00 1.09 -0.62 -0.65 -0.57 0.00 0.00 179.45 178.70 3g2k s GLN 754 N -3.46 2.22 0.54 3.15 -0.21 -1.05 -4.99 119.66 115.87 3g2k s GLN 754 Ca -0.07 -3.09 0.22 0.00 0.02 0.00 0.00 55.36 52.45 3g2k s GLN 754 Cb 0.09 -3.21 1.43 0.00 1.00 0.00 0.00 33.01 32.32 3g2k s GLN 754 CO 0.87 -1.26 2.10 -1.35 -2.12 0.00 0.00 175.29 173.53 3g2k h PRO 755 N 5.64 0.00 -0.64 2.91 0.11 -1.68 -1.73 132.00 136.62 3g2k h PRO 755 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3g2k h PRO 755 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3g2k h PRO 755 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3g2k n ASP 756 N -4.30 4.62 -0.28 -2.05 3.85 -1.26 -3.19 116.55 113.94 3g2k n ASP 756 Ca 0.02 -2.41 0.14 0.00 -0.71 0.00 0.00 54.79 51.83 3g2k n ASP 756 Cb 0.29 -0.56 0.39 0.00 -1.35 0.00 0.00 41.12 39.89 3g2k n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3g2k h LEU 757 N 3.98 0.63 -3.56 -2.12 5.85 -1.64 -2.08 115.31 116.37 3g2k h LEU 757 Ca 0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3g2k h LEU 757 Cb 1.39 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3g2k h LEU 757 CO 0.20 0.29 0.09 0.49 -0.34 0.00 0.00 178.44 179.17 3g2k n PHE 758 N -4.59 1.97 -0.27 1.25 3.01 -1.26 -4.60 117.46 112.98 3g2k n PHE 758 Ca 0.19 -0.95 0.04 0.00 1.01 0.00 0.00 57.45 57.74 3g2k n PHE 758 Cb 0.53 -0.54 0.26 0.00 -0.01 0.00 0.00 39.48 39.73 3g2k n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3g2k h LYS 759 N 3.06 0.96 -0.63 -1.08 2.10 -1.70 -1.93 116.57 117.35 3g2k h LYS 759 Ca 0.10 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.66 3g2k h LYS 759 Cb 2.00 -0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 33.08 3g2k h LYS 759 CO 0.52 0.63 0.29 -0.44 -2.00 0.00 0.00 179.45 178.45 3g2k h ASP 760 N 0.98 0.83 0.07 7.07 3.32 -1.84 -0.48 116.42 126.38 3g2k h ASP 760 Ca 0.35 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3g2k h ASP 760 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3g2k h ASP 760 CO -0.12 0.74 -0.04 0.40 -1.72 0.00 0.00 179.24 178.51 3g2k h ILE 761 N 0.86 1.04 -0.56 0.35 2.04 -1.73 -0.96 117.51 118.56 3g2k h ILE 761 Ca 0.21 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3g2k h ILE 761 Cb 0.14 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3g2k h ILE 761 CO -0.02 0.10 0.34 0.58 0.00 0.00 0.00 178.15 179.15 3g2k h VAL 762 N -0.28 1.07 -0.44 1.67 2.07 -1.31 -1.05 116.25 117.98 3g2k h VAL 762 Ca -0.01 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3g2k h VAL 762 Cb 0.24 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3g2k h VAL 762 CO 0.02 0.12 0.26 -1.13 0.02 0.00 0.00 177.57 176.86 3g2k h ASN 763 N 0.68 0.53 -0.13 0.57 -1.24 -0.99 -0.78 115.58 114.22 3g2k h ASN 763 Ca 0.23 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3g2k h ASN 763 Cb 0.01 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3g2k h ASN 763 CO -0.09 0.43 0.08 -0.03 -1.29 0.00 0.00 177.43 176.53 3g2k h MET 764 N 0.58 0.17 -0.97 6.67 4.05 -0.89 0.27 114.93 124.82 3g2k h MET 764 Ca 0.16 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3g2k h MET 764 Cb -0.00 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.71 3g2k h MET 764 CO -0.03 0.12 0.63 -0.07 0.23 0.00 0.00 176.91 177.80 3g2k h LEU 765 N 0.17 1.06 0.05 3.39 4.07 -0.97 -1.36 115.31 121.72 3g2k h LEU 765 Ca 0.05 -0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.74 3g2k h LEU 765 Cb -0.01 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 3g2k h LEU 765 CO -0.01 0.73 -1.23 0.24 -1.08 0.00 0.00 178.44 177.09 3g2k h MET 766 N 1.23 0.11 0.00 1.13 2.86 -0.93 -3.41 114.93 115.91 3g2k h MET 766 Ca 0.38 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3g2k h MET 766 Cb -0.02 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3g2k h MET 766 CO -0.12 1.02 -0.75 0.72 1.06 0.00 0.00 176.91 178.84 3g2k n HIS 767 N -3.38 0.00 -2.80 -0.22 8.25 0.07 -4.47 115.22 112.67 3g2k n HIS 767 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 3g2k n HIS 767 Cb 0.99 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.15 3g2k n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3g2k n HIS 768 N -1.29 -0.75 -2.98 4.41 -0.00 -0.60 -5.04 115.22 108.97 3g2k n HIS 768 Ca 0.00 -2.67 -0.44 0.00 -0.00 0.00 0.00 57.72 54.61 3g2k n HIS 768 Cb 0.13 0.50 -0.04 0.00 -0.00 0.00 0.00 29.99 30.58 3g2k n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3g2k s ASP 769 N -2.13 6.19 0.63 4.39 2.15 -0.70 -4.85 116.67 122.35 3g2k s ASP 769 Ca 0.28 -1.22 0.40 0.00 0.43 0.00 0.00 52.55 52.43 3g2k s ASP 769 Cb 0.39 -2.36 2.09 0.00 -0.30 0.00 0.00 42.92 42.73 3g2k s ASP 769 CO -0.04 -1.28 2.26 0.03 -0.17 0.00 0.00 175.17 175.97 3g2k h ARG 770 N 9.37 0.00 -0.19 4.34 3.08 -1.98 -3.20 114.38 125.80 3g2k h ARG 770 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3g2k h ARG 770 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3g2k h ARG 770 CO 1.14 0.01 0.00 1.19 -1.07 0.00 0.00 179.97 181.24 3g2k n PHE 771 N -3.17 0.26 -3.62 3.04 3.72 -1.26 -5.02 117.46 111.41 3g2k n PHE 771 Ca -0.02 -0.40 -0.21 0.00 -0.05 0.00 0.00 57.45 56.77 3g2k n PHE 771 Cb 0.14 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.71 3g2k n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g2k n LYS 772 N 0.25 -5.74 -0.10 -1.08 5.02 -1.21 -4.73 118.16 110.58 3g2k n LYS 772 Ca 0.07 0.71 -0.06 0.00 -2.02 0.00 0.00 58.31 57.02 3g2k n LYS 772 Cb 0.34 -5.48 0.01 0.00 -0.02 0.00 0.00 35.03 29.88 3g2k n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g2k h VAL 773 N -1.95 0.70 -0.71 -0.18 2.07 -1.94 -2.54 116.25 111.70 3g2k h VAL 773 Ca -0.60 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3g2k h VAL 773 Cb 1.35 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3g2k h VAL 773 CO 0.55 0.01 0.43 -0.26 0.02 0.00 0.00 177.57 178.32 3g2k h PHE 774 N 0.05 0.92 0.00 1.57 0.05 -1.91 -2.93 116.94 114.69 3g2k h PHE 774 Ca 0.17 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 3g2k h PHE 774 Cb 0.25 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.89 3g2k h PHE 774 CO -0.28 0.61 -0.01 0.00 -0.18 0.00 0.00 178.31 178.45 3g2k h ALA 775 N 1.50 1.87 -0.02 2.45 0.00 -1.83 -2.30 119.26 120.92 3g2k h ALA 775 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3g2k h ALA 775 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3g2k h ALA 775 CO -0.05 0.01 -0.11 -0.25 0.00 0.00 0.00 179.25 178.85 3g2k n ASP 776 N -4.36 2.49 0.11 0.00 8.00 -1.12 -4.71 116.55 116.97 3g2k n ASP 776 Ca -0.03 -1.74 -0.13 0.00 0.71 0.00 0.00 54.79 53.60 3g2k n ASP 776 Cb 0.10 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3g2k n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3g2k h TYR 777 N 3.55 -0.31 0.02 1.24 5.03 -1.32 -1.29 116.97 123.89 3g2k h TYR 777 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 3g2k h TYR 777 Cb 0.81 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 3g2k h TYR 777 CO 0.00 -0.18 -0.05 0.93 -1.32 0.00 0.00 178.16 177.54 3g2k h GLU 778 N -0.27 -0.10 -0.57 1.82 5.08 -1.84 -1.36 114.58 117.34 3g2k h GLU 778 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3g2k h GLU 778 Cb 0.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3g2k h GLU 778 CO -0.03 -0.06 0.18 0.93 -1.00 0.00 0.00 179.01 179.03 3g2k h GLU 779 N -0.10 0.85 0.15 2.33 5.08 -1.88 -1.94 114.58 119.08 3g2k h GLU 779 Ca 0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3g2k h GLU 779 Cb 0.11 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3g2k h GLU 779 CO -0.04 0.73 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.72 3g2k h TYR 780 N 0.83 -0.19 -0.56 4.33 3.20 -0.95 -0.58 116.97 123.05 3g2k h TYR 780 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3g2k h TYR 780 Cb 0.23 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3g2k h TYR 780 CO 0.01 -0.07 0.35 0.28 -1.64 0.00 0.00 178.16 177.10 3g2k h VAL 781 N -0.26 1.16 -0.51 1.81 2.07 -1.13 -0.66 116.25 118.73 3g2k h VAL 781 Ca -0.02 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3g2k h VAL 781 Cb 0.20 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3g2k h VAL 781 CO 0.03 0.16 0.31 0.50 0.02 0.00 0.00 177.57 178.59 3g2k h LYS 782 N 0.76 0.60 -0.63 1.57 1.63 -1.30 -2.13 116.57 117.07 3g2k h LYS 782 Ca 0.20 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 3g2k h LYS 782 Cb -0.05 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 3g2k h LYS 782 CO -0.04 0.40 0.11 0.00 -3.45 0.00 0.00 179.45 176.46 3g2k h GLN 784 N 0.97 0.41 -0.64 0.00 1.08 -0.78 -1.94 115.11 114.21 3g2k h GLN 784 Ca 0.19 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 3g2k h GLN 784 Cb 0.41 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3g2k h GLN 784 CO 0.01 0.34 0.09 0.93 -0.95 0.00 0.00 178.83 179.24 3g2k h GLU 785 N 0.41 1.06 -0.29 1.46 5.08 -0.98 -2.23 114.58 119.10 3g2k h GLU 785 Ca 0.11 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3g2k h GLU 785 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3g2k h GLU 785 CO -0.01 0.98 -0.04 0.00 -1.00 0.00 0.00 179.01 178.94 3g2k h ARG 786 N 0.99 0.45 -0.05 2.33 3.08 -1.14 -1.87 114.38 118.18 3g2k h ARG 786 Ca 0.19 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3g2k h ARG 786 Cb 0.45 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3g2k h ARG 786 CO 0.02 0.51 0.02 0.28 -1.07 0.00 0.00 179.97 179.73 3g2k h VAL 787 N 0.43 1.14 -0.81 2.04 2.07 -1.11 -2.40 116.25 117.62 3g2k h VAL 787 Ca 0.09 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3g2k h VAL 787 Cb 0.35 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3g2k h VAL 787 CO 0.01 0.11 0.48 0.28 0.02 0.00 0.00 177.57 178.47 3g2k h SER 788 N -0.08 0.98 -0.04 0.57 0.02 -1.20 -1.44 113.55 112.36 3g2k h SER 788 Ca 0.02 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3g2k h SER 788 Cb 0.17 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3g2k h SER 788 CO -0.00 0.76 0.02 0.00 -1.14 0.00 0.00 176.83 176.47 3g2k h ALA 789 N 1.41 0.05 -0.41 3.77 0.00 -1.29 -2.71 119.26 120.08 3g2k h ALA 789 Ca 0.29 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 3g2k h ALA 789 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3g2k h ALA 789 CO -0.05 -0.44 -0.04 1.25 0.00 0.00 0.00 179.25 179.96 3g2k h LEU 790 N 0.03 0.65 -1.70 0.00 6.46 -1.14 -2.71 115.31 116.90 3g2k h LEU 790 Ca 0.01 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3g2k h LEU 790 Cb 0.02 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 3g2k h LEU 790 CO -0.00 0.75 -0.18 0.22 -0.62 0.00 0.00 178.44 178.60 3g2k h TYR 791 N 0.63 0.00 0.00 1.25 3.20 -1.13 -1.32 116.97 119.61 3g2k h TYR 791 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3g2k h TYR 791 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3g2k h TYR 791 CO 0.02 0.18 0.00 0.87 -1.64 0.00 0.00 178.16 177.59 3g2k h LYS 792 N 0.00 0.00 -3.34 1.82 1.57 -1.15 -3.33 116.57 112.14 3g2k h LYS 792 Ca -0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3g2k h LYS 792 Cb 0.37 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.30 3g2k h LYS 792 CO 0.02 0.00 -0.37 1.21 -0.57 0.00 0.00 179.45 179.75 3g2k s ASN 793 N -4.99 5.25 0.31 0.86 3.84 -0.50 -4.98 114.94 114.73 3g2k s ASN 793 Ca -0.03 -3.42 0.07 0.00 0.21 0.00 0.00 52.86 49.69 3g2k s ASN 793 Cb 0.11 -1.79 0.78 0.00 -0.55 0.00 0.00 41.25 39.80 3g2k s ASN 793 CO 0.39 -0.22 1.76 -0.65 -2.79 0.00 0.00 177.10 175.60 3g2k h PRO 794 N 6.20 0.68 -0.40 0.43 0.11 -1.77 -1.42 132.00 135.84 3g2k h PRO 794 Ca 0.07 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 3g2k h PRO 794 Cb 0.85 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3g2k h PRO 794 CO 0.76 0.45 0.01 -0.09 -0.21 0.00 0.00 178.00 178.91 3g2k h ARG 795 N 0.70 0.70 0.00 1.05 2.43 -1.93 -2.02 114.38 115.32 3g2k h ARG 795 Ca 0.60 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 59.36 3g2k h ARG 795 Cb 1.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3g2k h ARG 795 CO -0.41 0.79 -0.87 0.93 -1.51 0.00 0.00 179.97 178.89 3g2k h GLU 796 N 0.53 0.04 0.32 0.20 4.39 -1.69 -1.87 114.58 116.50 3g2k h GLU 796 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3g2k h GLU 796 Cb 0.47 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3g2k h GLU 796 CO 0.02 0.88 -0.26 2.35 -1.16 0.00 0.00 179.01 180.84 3g2k h TRP 797 N 0.02 -0.69 -0.74 4.33 2.91 -1.24 -2.42 115.95 118.11 3g2k h TRP 797 Ca -0.02 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.00 3g2k h TRP 797 Cb 1.53 0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 30.40 3g2k h TRP 797 CO 0.01 -0.39 0.45 1.15 -1.03 0.00 0.00 178.44 178.63 3g2k h THR 798 N -0.59 1.21 -0.59 2.65 2.02 -1.32 -1.14 112.91 115.14 3g2k h THR 798 Ca -0.02 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 3g2k h THR 798 Cb 0.52 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3g2k h THR 798 CO -0.02 0.22 0.14 0.03 0.37 0.00 0.00 175.52 176.26 3g2k h ARG 799 N 1.02 0.91 -0.44 6.66 3.08 -1.28 -0.65 114.38 123.69 3g2k h ARG 799 Ca 0.27 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3g2k h ARG 799 Cb -0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3g2k h ARG 799 CO -0.05 0.82 -0.25 1.98 -1.07 0.00 0.00 179.97 181.40 3g2k h MET 800 N 0.88 0.91 -0.33 0.04 4.05 -0.89 -2.51 114.93 117.08 3g2k h MET 800 Ca 0.19 -0.40 0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3g2k h MET 800 Cb 0.32 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.05 3g2k h MET 800 CO 0.00 1.06 0.05 0.28 0.23 0.00 0.00 176.91 178.53 3g2k h VAL 801 N 0.78 0.82 -0.82 -5.77 2.07 -0.82 -1.81 116.25 110.70 3g2k h VAL 801 Ca 0.10 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3g2k h VAL 801 Cb 0.81 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3g2k h VAL 801 CO 0.07 0.03 0.54 0.40 0.02 0.00 0.00 177.57 178.63 3g2k h ILE 802 N 0.16 1.19 -0.08 4.57 2.04 -0.97 -0.73 117.51 123.70 3g2k h ILE 802 Ca 0.16 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3g2k h ILE 802 Cb 0.19 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3g2k h ILE 802 CO -0.22 0.20 -0.28 0.03 0.00 0.00 0.00 178.15 177.87 3g2k h ARG 803 N 1.09 0.14 0.35 2.37 3.08 -0.99 -1.19 114.38 119.23 3g2k h ARG 803 Ca 0.31 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3g2k h ARG 803 Cb -0.09 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3g2k h ARG 803 CO -0.07 0.42 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.17 3g2k h ASN 804 N 0.12 -0.40 -0.91 7.04 2.35 -0.36 -3.08 115.58 120.34 3g2k h ASN 804 Ca 0.02 -0.15 0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3g2k h ASN 804 Cb 0.57 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.95 3g2k h ASN 804 CO 0.04 0.05 0.52 0.40 -1.65 0.00 0.00 177.43 176.79 3g2k h ILE 805 N -0.97 0.79 0.00 2.81 2.04 -1.17 -1.89 117.51 119.12 3g2k h ILE 805 Ca -0.05 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3g2k h ILE 805 Cb 0.52 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3g2k h ILE 805 CO 0.08 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.16 3g2k h ALA 806 N 1.56 1.16 -0.35 1.87 0.00 -1.30 -2.96 119.26 119.24 3g2k h ALA 806 Ca 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3g2k h ALA 806 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g2k h ALA 806 CO -0.33 0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.43 3g2k n THR 807 N -3.58 1.95 1.63 0.00 -2.24 -0.74 -2.44 114.28 108.85 3g2k n THR 807 Ca -0.01 -1.54 0.15 0.00 -2.27 0.00 0.00 64.05 60.37 3g2k n THR 807 Cb 0.35 -0.02 0.65 0.00 -2.10 0.00 0.00 70.33 69.21 3g2k n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3g2k n SER 808 N 0.02 0.92 -0.30 3.42 3.41 -1.01 -4.38 113.62 115.69 3g2k n SER 808 Ca 0.20 -1.22 0.07 0.00 -0.26 0.00 0.00 58.87 57.66 3g2k n SER 808 Cb 0.80 -0.00 0.29 0.00 -0.26 0.00 0.00 64.21 65.04 3g2k n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3g2k h GLY 809 N 4.91 1.36 1.47 5.00 0.00 -1.81 -1.89 103.07 112.12 3g2k h GLY 809 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.00 3g2k h GLY 809 CO 0.00 0.19 0.21 1.70 0.00 0.00 0.00 176.54 178.65 3g2k h LYS 810 N 0.90 0.00 -0.65 4.80 3.64 -1.88 -2.81 116.57 120.57 3g2k h LYS 810 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3g2k h LYS 810 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3g2k h LYS 810 CO -0.20 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.17 3g2k n PHE 811 N -3.71 1.49 -2.54 1.91 3.01 -0.71 -4.74 117.46 112.16 3g2k n PHE 811 Ca 0.02 -0.54 -0.41 0.00 1.01 0.00 0.00 57.45 57.52 3g2k n PHE 811 Cb 0.33 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.42 3g2k n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3g2k s SER 812 N -0.69 7.27 0.33 4.37 0.15 -1.06 -0.80 113.70 123.26 3g2k s SER 812 Ca 0.43 2.01 0.25 0.00 0.70 0.00 0.00 55.95 59.33 3g2k s SER 812 Cb 0.31 -2.60 1.18 0.00 -1.71 0.00 0.00 66.02 63.20 3g2k s SER 812 CO 0.16 -0.25 1.75 0.77 1.20 0.00 0.00 173.24 176.87 3g2k h SER 813 N 5.58 0.00 -0.72 5.45 4.64 -1.46 -1.53 113.55 125.52 3g2k h SER 813 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3g2k h SER 813 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3g2k h SER 813 CO 0.74 0.00 0.44 0.44 -0.87 0.00 0.00 176.83 177.58 3g2k h ASP 814 N 0.00 0.86 -0.12 4.97 3.32 -1.92 0.81 116.42 124.35 3g2k h ASP 814 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3g2k h ASP 814 Cb 0.21 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3g2k h ASP 814 CO 0.00 0.67 0.04 -0.09 -1.72 0.00 0.00 179.24 178.13 3g2k h ARG 815 N 0.98 0.18 -0.27 3.56 1.12 -1.60 -1.45 114.38 116.91 3g2k h ARG 815 Ca 0.26 -0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.14 3g2k h ARG 815 Cb -0.04 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.85 3g2k h ARG 815 CO -0.05 0.32 -0.02 1.15 -3.11 0.00 0.00 179.97 178.26 3g2k h THR 816 N 0.01 0.78 -0.37 0.20 2.02 -1.35 -1.93 112.91 112.27 3g2k h THR 816 Ca 0.04 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 3g2k h THR 816 Cb 0.22 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3g2k h THR 816 CO -0.00 0.01 -0.24 0.40 0.37 0.00 0.00 175.52 176.06 3g2k h ILE 817 N 0.05 1.27 -0.76 3.11 1.08 -0.81 -2.05 117.51 119.41 3g2k h ILE 817 Ca 0.13 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.30 3g2k h ILE 817 Cb 0.18 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 3g2k h ILE 817 CO -0.23 0.45 0.50 0.00 -0.69 0.00 0.00 178.15 178.17 3g2k h ALA 818 N 1.08 1.63 -0.11 1.87 0.00 -0.97 0.10 119.26 122.86 3g2k h ALA 818 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3g2k h ALA 818 Cb 0.75 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3g2k h ALA 818 CO 0.06 0.27 -0.15 1.96 0.00 0.00 0.00 179.25 181.38 3g2k h GLN 819 N 0.84 0.31 -0.55 0.00 4.20 -0.73 -2.07 115.11 117.11 3g2k h GLN 819 Ca 0.32 -0.18 0.10 0.00 0.06 0.00 0.00 58.65 58.95 3g2k h GLN 819 Cb 0.18 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3g2k h GLN 819 CO -0.10 0.74 0.13 1.88 -0.67 0.00 0.00 178.83 180.81 3g2k h TYR 820 N -0.11 0.22 -0.07 2.96 0.05 -1.20 0.70 116.97 119.52 3g2k h TYR 820 Ca 0.01 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.85 3g2k h TYR 820 Cb 0.71 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 3g2k h TYR 820 CO 0.10 0.01 -0.07 0.00 -1.05 0.00 0.00 178.16 177.14 3g2k h ALA 821 N 1.43 -0.01 0.13 3.88 0.00 -0.89 0.21 119.26 124.01 3g2k h ALA 821 Ca 0.28 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 3g2k h ALA 821 Cb 0.39 0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.35 3g2k h ALA 821 CO -0.35 -0.54 -1.25 0.00 0.00 0.00 0.00 179.25 177.11 3g2k h ARG 822 N -0.09 0.56 0.00 0.00 3.08 -1.23 0.14 114.38 116.84 3g2k h ARG 822 Ca 0.05 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3g2k h ARG 822 Cb 0.16 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3g2k h ARG 822 CO -0.12 1.35 -1.62 0.39 -1.07 0.00 0.00 179.97 178.90 3g2k n GLU 823 N -3.75 0.56 0.01 0.04 1.02 0.23 -4.32 120.64 114.43 3g2k n GLU 823 Ca -0.13 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3g2k n GLU 823 Cb 0.99 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 3g2k n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3g2k n ILE 824 N -2.25 0.28 0.16 -3.67 5.41 -0.23 -4.86 119.36 114.19 3g2k n ILE 824 Ca -0.02 0.09 0.09 0.00 1.00 0.00 0.00 62.75 63.91 3g2k n ILE 824 Cb 0.53 -1.46 0.08 0.00 -0.71 0.00 0.00 39.64 38.09 3g2k n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3g2k h TRP 825 N 0.00 0.00 -3.71 1.39 6.55 -1.03 -3.48 115.95 115.67 3g2k h TRP 825 Ca 0.00 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.65 3g2k h TRP 825 Cb 0.71 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 29.09 3g2k h TRP 825 CO 0.00 0.16 -0.38 0.41 -1.05 0.00 0.00 178.44 177.58 3g2k n GLY 826 N 1.17 0.10 3.06 1.49 0.00 0.34 -4.94 105.19 106.42 3g2k n GLY 826 Ca 0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3g2k n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g2k s VAL 827 N -3.18 0.43 -0.25 1.61 -7.23 -0.28 -5.02 120.40 106.48 3g2k s VAL 827 Ca 0.16 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 3g2k s VAL 827 Cb -0.07 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 3g2k s VAL 827 CO 0.38 -0.57 0.20 -1.61 -0.31 0.00 0.00 175.10 173.19 3g2k s GLU 828 N -2.23 4.05 0.69 4.82 0.41 -1.26 -3.59 118.70 121.58 3g2k s GLU 828 Ca -0.06 -0.22 -0.16 0.00 -0.41 0.00 0.00 54.97 54.13 3g2k s GLU 828 Cb -0.05 -3.57 0.02 0.00 -1.78 0.00 0.00 34.13 28.74 3g2k s GLU 828 CO -0.02 -0.02 1.20 -1.25 -0.49 0.00 0.00 175.26 174.67 3g2k s PRO 829 N 1.31 2.41 -0.02 0.39 0.04 -1.26 -4.93 135.00 132.92 3g2k s PRO 829 Ca 0.09 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3g2k s PRO 829 Cb -0.14 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3g2k s PRO 829 CO 0.07 -1.63 0.01 0.45 0.04 0.00 0.00 177.00 175.94 3g2k s SER 830 N -1.99 0.27 0.00 6.66 0.15 0.57 -5.02 113.70 114.33 3g2k s SER 830 Ca 0.74 -0.00 0.23 0.00 0.70 0.00 0.00 55.95 57.62 3g2k s SER 830 Cb -0.29 -0.14 0.54 0.00 -1.71 0.00 0.00 66.02 64.43 3g2k s SER 830 CO 0.42 -0.09 1.46 0.54 1.20 0.00 0.00 173.24 176.76 3g2k n ARG 831 N 4.01 2.16 -2.27 5.44 5.12 -1.26 -3.28 116.66 126.58 3g2k n ARG 831 Ca -0.26 -1.74 -0.41 0.00 -1.93 0.00 0.00 57.85 53.52 3g2k n ARG 831 Cb 0.51 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 3g2k n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3g2k s GLN 832 N -1.71 4.45 0.35 5.56 -0.21 -1.26 -5.00 119.66 121.84 3g2k s GLN 832 Ca 0.35 2.01 -0.27 0.00 0.02 0.00 0.00 55.36 57.47 3g2k s GLN 832 Cb 0.20 -3.17 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 3g2k s GLN 832 CO 0.30 -0.11 1.21 1.03 -2.12 0.00 0.00 175.29 175.59 3g2k s ARG 833 N -0.82 4.28 0.28 2.91 3.00 -1.26 -4.98 118.95 122.36 3g2k s ARG 833 Ca 0.52 1.98 -0.19 0.00 0.00 0.00 0.00 55.73 58.04 3g2k s ARG 833 Cb -0.36 -2.93 -0.09 0.00 0.00 0.00 0.00 34.95 31.58 3g2k s ARG 833 CO 0.42 -0.17 0.76 -0.51 0.00 0.00 0.00 175.30 175.80 3g2k s LEU 834 N -2.02 4.23 0.28 2.53 1.43 -0.53 -5.04 118.68 119.56 3g2k s LEU 834 Ca 0.51 1.43 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 3g2k s LEU 834 Cb -0.34 -3.84 -0.11 0.00 0.03 0.00 0.00 46.19 41.93 3g2k s LEU 834 CO 0.45 -0.08 1.50 -2.16 0.23 0.00 0.00 176.35 176.29 3g2k s PRO 835 N -2.37 4.20 0.00 1.29 0.04 -1.26 -4.60 135.00 132.30 3g2k s PRO 835 Ca 0.48 2.43 0.29 0.00 0.04 0.00 0.00 61.00 64.24 3g2k s PRO 835 Cb -0.14 -3.06 1.73 0.00 0.04 0.00 0.00 34.50 33.07 3g2k s PRO 835 CO 0.20 -0.50 2.07 0.00 0.04 0.00 0.00 177.00 178.80