#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkt n GLY 13 N 0.00 1.88 6.97 2.58 0.00 -1.26 -4.89 105.19 110.47 2jkt n GLY 13 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jkt n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jkt n GLU 14 N 0.00 0.00 0.04 1.61 2.13 -1.26 -3.09 120.64 120.08 2jkt n GLU 14 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2jkt n GLU 14 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 2jkt n GLU 14 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2jkt h ILE 15 N 0.00 1.17 -0.34 6.31 2.04 -2.00 -3.25 117.51 121.44 2jkt h ILE 15 Ca 0.00 -2.87 -0.01 0.00 1.00 0.00 0.00 64.86 62.98 2jkt h ILE 15 Cb 0.00 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2jkt h ILE 15 CO 0.00 0.78 0.16 0.15 0.00 0.00 0.00 178.15 179.24 2jkt h PHE 16 N 0.04 0.46 0.02 1.37 3.57 -1.95 -2.73 116.94 117.72 2jkt h PHE 16 Ca -0.22 -0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.07 2jkt h PHE 16 Cb 1.97 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 2jkt h PHE 16 CO 0.04 0.35 -0.92 0.93 -2.23 0.00 0.00 178.31 176.48 2jkt h GLU 17 N 0.47 0.13 0.00 1.11 5.08 -1.73 -3.07 114.58 116.58 2jkt h GLU 17 Ca 0.12 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jkt h GLU 17 Cb 0.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jkt h GLU 17 CO -0.02 0.96 0.00 -0.07 -1.00 0.00 0.00 179.01 178.88 2jkt h LEU 18 N 0.06 0.00 -0.48 1.33 3.38 -1.52 -2.79 115.31 115.29 2jkt h LEU 18 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2jkt h LEU 18 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2jkt h LEU 18 CO 0.13 0.00 -0.74 0.50 0.09 0.00 0.00 178.44 178.42 2jkt h LYS 19 N 0.00 0.15 -0.07 1.13 3.64 -1.40 -3.16 116.57 116.86 2jkt h LYS 19 Ca 0.00 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2jkt h LYS 19 Cb 0.65 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jkt h LYS 19 CO 0.00 0.83 -0.50 0.00 -2.27 0.00 0.00 179.45 177.50 2jkt h ALA 20 N 1.13 0.16 -0.86 5.00 0.00 -1.54 -3.14 119.26 120.01 2jkt h ALA 20 Ca -0.02 -0.51 0.15 0.00 0.00 0.00 0.00 54.91 54.52 2jkt h ALA 20 Cb 1.31 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 2jkt h ALA 20 CO 0.11 0.35 0.56 0.93 0.00 0.00 0.00 179.25 181.20 2jkt h GLU 21 N 0.03 0.60 0.01 0.00 5.08 -1.49 -2.61 114.58 116.20 2jkt h GLU 21 Ca -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2jkt h GLU 21 Cb 1.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jkt h GLU 21 CO 0.10 0.39 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.43 2jkt h LEU 22 N 0.61 -0.01 -1.29 1.33 3.38 -1.62 -3.35 115.31 114.36 2jkt h LEU 22 Ca 0.43 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.72 2jkt h LEU 22 Cb 0.77 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2jkt h LEU 22 CO -0.19 0.82 0.55 0.78 0.09 0.00 0.00 178.44 180.49 2jkt h ASN 23 N -0.87 0.69 -0.92 -0.43 4.21 -1.42 -3.42 115.58 113.43 2jkt h ASN 23 Ca -0.00 0.03 -0.77 0.00 1.21 0.00 0.00 56.30 56.77 2jkt h ASN 23 Cb 0.81 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2jkt h ASN 23 CO 0.00 0.39 1.07 -3.20 -1.29 0.00 0.00 177.43 174.41 2jkt n ASN 24 N -4.53 1.63 0.03 5.81 2.85 -1.08 -4.75 115.26 115.23 2jkt n ASN 24 Ca 0.15 0.86 0.05 0.00 -0.11 0.00 0.00 54.58 55.53 2jkt n ASN 24 Cb 0.36 -1.04 0.21 0.00 1.24 0.00 0.00 39.78 40.55 2jkt n ASN 24 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2jkt n GLU 25 N 6.20 0.03 -1.79 1.20 2.13 -1.26 -4.24 120.64 122.92 2jkt n GLU 25 Ca 0.38 0.44 -0.26 0.00 0.66 0.00 0.00 57.16 58.38 2jkt n GLU 25 Cb 0.06 -1.59 -0.05 0.00 0.27 0.00 0.00 31.44 30.13 2jkt n GLU 25 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2jkt s LYS 26 N -3.10 2.15 0.00 5.31 1.02 -1.26 -4.75 119.74 119.11 2jkt s LYS 26 Ca 0.02 0.47 0.04 0.00 0.02 0.00 0.00 55.97 56.51 2jkt s LYS 26 Cb 0.04 -4.76 0.21 0.00 -0.52 0.00 0.00 37.83 32.80 2jkt s LYS 26 CO 0.14 -3.61 0.74 0.36 -0.92 0.00 0.00 175.35 172.06 2jkt n LYS 27 N 8.93 0.10 0.10 1.68 2.85 -1.26 0.14 118.16 130.71 2jkt n LYS 27 Ca 0.38 0.05 -0.24 0.00 -1.05 0.00 0.00 58.31 57.46 2jkt n LYS 27 Cb 0.48 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.21 2jkt n LYS 27 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2jkt h GLU 28 N 0.00 0.45 -0.03 -1.58 4.39 -1.91 -3.00 114.58 112.89 2jkt h GLU 28 Ca 0.00 -0.77 -0.15 0.00 0.34 0.00 0.00 59.36 58.78 2jkt h GLU 28 Cb 0.01 0.29 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jkt h GLU 28 CO 0.00 1.37 -0.55 0.87 -1.16 0.00 0.00 179.01 179.54 2jkt h LYS 29 N 0.06 0.43 0.01 2.33 1.57 0.90 -3.17 116.57 118.70 2jkt h LYS 29 Ca -0.29 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.09 2jkt h LYS 29 Cb 2.08 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 34.46 2jkt h LYS 29 CO 0.22 1.07 -0.42 0.00 -0.57 0.00 0.00 179.45 179.75 2jkt h ARG 30 N -0.05 -0.51 -0.91 3.15 3.08 -1.18 0.25 114.38 118.21 2jkt h ARG 30 Ca -0.06 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.19 2jkt h ARG 30 Cb 1.24 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 31.24 2jkt h ARG 30 CO 0.11 -0.34 -0.31 -0.22 -1.07 0.00 0.00 179.97 178.14 2jkt h LYS 31 N -0.53 -0.02 -0.20 0.04 3.64 -1.64 0.21 116.57 118.07 2jkt h LYS 31 Ca 0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 2jkt h LYS 31 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2jkt h LYS 31 CO -0.27 -0.01 -0.50 0.93 -2.27 0.00 0.00 179.45 177.33 2jkt h GLU 32 N -0.02 0.54 -0.28 1.90 4.39 -1.44 -3.08 114.58 116.59 2jkt h GLU 32 Ca 0.38 -0.32 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 2jkt h GLU 32 Cb 0.63 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2jkt h GLU 32 CO -0.93 0.91 -0.50 0.00 -1.16 0.00 0.00 179.01 177.33 2jkt h ALA 33 N 1.03 0.59 -0.77 3.43 0.00 0.12 -2.90 119.26 120.76 2jkt h ALA 33 Ca 0.02 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.58 2jkt h ALA 33 Cb 1.02 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2jkt h ALA 33 CO 0.09 0.68 0.33 0.28 0.00 0.00 0.00 179.25 180.63 2jkt h VAL 34 N 0.61 0.67 -0.67 0.00 2.07 -0.62 -2.04 116.25 116.27 2jkt h VAL 34 Ca 0.03 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.52 2jkt h VAL 34 Cb 1.08 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.88 2jkt h VAL 34 CO 0.11 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.85 2jkt h LYS 35 N 0.48 0.07 -0.58 1.57 1.57 -1.43 -1.14 116.57 117.11 2jkt h LYS 35 Ca 0.42 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.13 2jkt h LYS 35 Cb 0.63 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2jkt h LYS 35 CO -0.39 0.05 0.11 0.87 -0.57 0.00 0.00 179.45 179.51 2jkt h LYS 36 N 0.08 0.93 -0.48 3.15 1.57 -1.46 -2.46 116.57 117.90 2jkt h LYS 36 Ca 0.35 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2jkt h LYS 36 Cb 0.57 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2jkt h LYS 36 CO -0.61 0.85 0.27 0.28 -0.57 0.00 0.00 179.45 179.66 2jkt h VAL 37 N 0.88 1.17 -0.07 0.50 2.07 -1.14 -2.24 116.25 117.41 2jkt h VAL 37 Ca 0.18 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2jkt h VAL 37 Cb 0.37 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2jkt h VAL 37 CO 0.01 0.18 -0.13 0.40 0.02 0.00 0.00 177.57 178.04 2jkt h ILE 38 N 0.64 1.14 -0.14 4.57 2.04 -1.20 -2.87 117.51 121.69 2jkt h ILE 38 Ca 0.17 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2jkt h ILE 38 Cb 0.05 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jkt h ILE 38 CO -0.03 0.19 0.06 0.00 0.00 0.00 0.00 178.15 178.37 2jkt h ALA 39 N 1.76 0.18 -0.06 1.87 0.00 -0.94 -3.20 119.26 118.87 2jkt h ALA 39 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jkt h ALA 39 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jkt h ALA 39 CO 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2jkt n ALA 40 N -2.22 2.54 -0.04 0.00 0.00 -1.03 -2.74 120.51 117.02 2jkt n ALA 40 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2jkt n ALA 40 Cb 0.12 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 2jkt n ALA 40 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jkt h MET 41 N 0.54 0.08 -0.93 0.00 2.07 -1.54 -3.05 114.93 112.10 2jkt h MET 41 Ca 0.00 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 2jkt h MET 41 Cb 0.12 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 2jkt h MET 41 CO 0.00 1.01 0.00 0.25 1.07 0.00 0.00 176.91 179.24 2jkt n THR 42 N -4.51 0.26 -2.41 2.22 -2.24 -1.11 -2.26 114.28 104.23 2jkt n THR 42 Ca -0.11 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2jkt n THR 42 Cb 0.54 -0.55 0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2jkt n THR 42 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2jkt n VAL 43 N 0.30 0.19 0.00 2.28 0.24 -1.25 -5.02 118.33 115.08 2jkt n VAL 43 Ca 0.00 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 2jkt n VAL 43 Cb 0.25 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 2jkt n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jkt n GLY 44 N 0.35 2.64 3.68 7.63 0.00 -0.96 -4.96 105.19 113.56 2jkt n GLY 44 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2jkt n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jkt n LYS 45 N -1.53 2.49 -1.93 1.61 5.02 -1.15 -4.86 118.16 117.81 2jkt n LYS 45 Ca 0.00 0.91 -0.31 0.00 -2.02 0.00 0.00 58.31 56.89 2jkt n LYS 45 Cb 0.00 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.20 2jkt n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jkt s ASP 46 N 3.00 4.95 0.00 4.39 2.15 -1.26 -4.56 116.67 125.34 2jkt s ASP 46 Ca 0.85 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.85 2jkt s ASP 46 Cb -0.58 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.50 2jkt s ASP 46 CO 0.42 -2.76 0.00 0.52 -0.17 0.00 0.00 175.17 173.18 2jkt n VAL 47 N 7.75 0.00 0.00 1.11 0.31 -1.26 -4.68 118.33 121.55 2jkt n VAL 47 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2jkt n VAL 47 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2jkt n VAL 47 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jkt n SER 48 N 0.00 0.00 0.33 4.52 2.88 -1.26 -4.65 113.62 115.44 2jkt n SER 48 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2jkt n SER 48 Cb 0.00 0.00 1.18 0.00 -0.75 0.00 0.00 64.21 64.64 2jkt n SER 48 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2jkt h SER 49 N 0.00 0.00 -0.35 -3.46 0.87 -2.01 -1.65 113.55 106.96 2jkt h SER 49 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jkt h SER 49 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jkt h SER 49 CO 0.00 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 2jkt n LEU 50 N -3.17 4.20 0.27 2.23 4.77 -1.26 -4.78 117.00 119.26 2jkt n LEU 50 Ca -0.03 -2.89 -0.16 0.00 -0.03 0.00 0.00 56.01 52.90 2jkt n LEU 50 Cb 0.08 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2jkt n LEU 50 CO 0.21 0.68 0.67 0.15 -1.33 0.00 0.00 177.39 177.77 2jkt h PHE 51 N 2.35 -0.77 -0.31 -1.77 3.57 -1.68 -2.57 116.94 115.76 2jkt h PHE 51 Ca 0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2jkt h PHE 51 Cb 1.49 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.47 2jkt h PHE 51 CO 0.60 -0.45 0.10 -1.35 -2.23 0.00 0.00 178.31 174.98 2jkt h PRO 52 N -0.72 0.22 -0.83 6.41 0.11 -1.86 -2.53 132.00 132.80 2jkt h PRO 52 Ca -0.05 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.15 2jkt h PRO 52 Cb 0.60 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 2jkt h PRO 52 CO 0.04 0.15 0.54 -0.44 -0.21 0.00 0.00 178.00 178.08 2jkt h ASP 53 N 0.23 0.68 0.05 -2.05 3.45 -1.89 0.26 116.42 117.16 2jkt h ASP 53 Ca 0.14 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 2jkt h ASP 53 Cb 0.11 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 2jkt h ASP 53 CO -0.15 0.40 -0.34 0.58 -1.57 0.00 0.00 179.24 178.16 2jkt h VAL 54 N 0.75 1.29 -0.34 -1.35 2.07 -1.19 -3.17 116.25 114.31 2jkt h VAL 54 Ca 0.39 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2jkt h VAL 54 Cb 0.48 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2jkt h VAL 54 CO -0.16 0.44 -0.18 0.58 0.02 0.00 0.00 177.57 178.27 2jkt h VAL 55 N 0.35 1.26 -0.01 2.57 2.07 -0.07 -2.70 116.25 119.72 2jkt h VAL 55 Ca 0.04 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2jkt h VAL 55 Cb 0.77 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2jkt h VAL 55 CO 0.06 0.40 -0.05 -0.46 0.02 0.00 0.00 177.57 177.54 2jkt n ASN 56 N -4.14 1.50 0.13 0.57 0.23 -1.03 -2.15 115.26 110.36 2jkt n ASN 56 Ca 0.00 -1.42 0.13 0.00 -0.53 0.00 0.00 54.58 52.76 2jkt n ASN 56 Cb 0.39 0.03 0.45 0.00 -2.08 0.00 0.00 39.78 38.57 2jkt n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jkt h MET 58 N 0.00 0.54 -5.46 0.00 4.05 -1.46 -3.33 114.93 109.28 2jkt h MET 58 Ca 0.00 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.21 2jkt h MET 58 Cb 0.56 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 2jkt h MET 58 CO 0.00 0.36 0.51 -1.14 0.23 0.00 0.00 176.91 176.87 2jkt s GLN 59 N -6.04 2.05 0.00 0.39 2.00 -1.21 -4.76 119.66 112.08 2jkt s GLN 59 Ca -0.13 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 52.92 2jkt s GLN 59 Cb 0.19 -5.02 0.00 0.00 0.80 0.00 0.00 33.01 28.98 2jkt s GLN 59 CO 0.76 -4.17 0.00 -2.37 -0.50 0.00 0.00 175.29 169.01 2jkt n THR 60 N 8.30 0.00 0.00 -0.34 5.66 -1.25 -5.09 114.28 121.56 2jkt n THR 60 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 2jkt n THR 60 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 2jkt n THR 60 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2jkt n ASP 61 N -0.24 1.89 -4.64 1.09 5.75 -1.26 -5.05 116.55 114.09 2jkt n ASP 61 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2jkt n ASP 61 Cb 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 2jkt n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2jkt n ASN 62 N -1.71 3.78 0.20 -1.12 4.05 -1.26 -4.86 115.26 114.34 2jkt n ASN 62 Ca 0.00 0.69 0.05 0.00 0.45 0.00 0.00 54.58 55.76 2jkt n ASN 62 Cb 0.22 -1.51 0.41 0.00 1.23 0.00 0.00 39.78 40.12 2jkt n ASN 62 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2jkt h LEU 63 N 11.87 0.00 -0.47 1.20 5.85 -1.99 -1.33 115.31 130.43 2jkt h LEU 63 Ca -0.47 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 2jkt h LEU 63 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2jkt h LEU 63 CO 0.95 0.34 0.02 -0.08 -0.34 0.00 0.00 178.44 179.33 2jkt h GLU 64 N 0.00 0.81 -0.13 1.25 4.81 -1.99 -2.70 114.58 116.63 2jkt h GLU 64 Ca -0.00 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.84 2jkt h GLU 64 Cb 0.67 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2jkt h GLU 64 CO 0.04 0.85 -0.51 1.25 -0.73 0.00 0.00 179.01 179.91 2jkt h LEU 65 N 0.67 0.41 -0.00 1.64 5.85 -1.78 -2.82 115.31 119.28 2jkt h LEU 65 Ca 0.14 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jkt h LEU 65 Cb 0.47 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2jkt h LEU 65 CO 0.02 0.85 -0.01 0.50 -0.34 0.00 0.00 178.44 179.46 2jkt h LYS 66 N 0.29 0.01 0.00 1.25 3.64 -1.26 -2.52 116.57 117.98 2jkt h LYS 66 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 66 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2jkt h LYS 66 CO 0.09 0.66 0.00 1.17 -2.27 0.00 0.00 179.45 179.10 2jkt n LYS 67 N -4.77 0.07 -0.01 1.90 4.81 -1.02 -1.36 118.16 117.78 2jkt n LYS 67 Ca -0.09 0.42 -0.16 0.00 -0.87 0.00 0.00 58.31 57.61 2jkt n LYS 67 Cb 0.33 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 2jkt n LYS 67 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2jkt h LEU 68 N 0.00 0.54 -0.92 3.14 3.38 -1.31 -3.19 115.31 116.96 2jkt h LEU 68 Ca 0.00 -0.70 -0.10 0.00 0.09 0.00 0.00 57.88 57.17 2jkt h LEU 68 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jkt h LEU 68 CO 0.00 1.16 -0.34 0.58 0.09 0.00 0.00 178.44 179.93 2jkt h VAL 69 N -0.03 1.29 -0.05 1.22 2.07 -0.78 -2.85 116.25 117.13 2jkt h VAL 69 Ca -0.05 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 2jkt h VAL 69 Cb 1.19 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2jkt h VAL 69 CO 0.10 0.43 -0.40 1.88 0.02 0.00 0.00 177.57 179.61 2jkt h TYR 70 N 0.33 0.11 -0.81 1.57 -1.99 -1.49 -0.07 116.97 114.63 2jkt h TYR 70 Ca 0.04 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2jkt h TYR 70 Cb 0.75 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.42 2jkt h TYR 70 CO 0.02 0.48 0.51 -0.07 -0.00 0.00 0.00 178.16 179.10 2jkt h LEU 71 N 0.08 0.95 -0.63 3.88 3.38 -1.49 0.16 115.31 121.65 2jkt h LEU 71 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 71 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2jkt h LEU 71 CO 0.06 0.72 0.41 0.22 0.09 0.00 0.00 178.44 179.93 2jkt h TYR 72 N 1.10 0.80 0.12 1.13 3.20 -0.94 -2.96 116.97 119.42 2jkt h TYR 72 Ca 0.29 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2jkt h TYR 72 Cb -0.08 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2jkt h TYR 72 CO -0.01 0.51 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.89 2jkt h LEU 73 N 0.85 -0.14 -0.19 2.82 3.38 -0.71 -3.36 115.31 117.96 2jkt h LEU 73 Ca 0.23 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jkt h LEU 73 Cb -0.09 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jkt h LEU 73 CO -0.05 0.47 0.11 -0.03 0.09 0.00 0.00 178.44 179.03 2jkt h MET 74 N -0.96 0.27 -2.15 1.13 4.05 -0.77 0.63 114.93 117.14 2jkt h MET 74 Ca -0.02 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.23 2jkt h MET 74 Cb 0.46 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 2jkt h MET 74 CO 0.03 0.24 -0.22 0.09 0.23 0.00 0.00 176.91 177.27 2jkt n ASN 75 N -4.91 4.40 0.00 1.39 5.03 -1.12 -2.40 115.26 117.65 2jkt n ASN 75 Ca -0.04 -2.31 0.00 0.00 0.87 0.00 0.00 54.58 53.11 2jkt n ASN 75 Cb 0.06 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 2jkt n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jkt n TYR 76 N 2.48 0.00 0.87 3.10 9.36 -0.53 -4.88 117.16 127.56 2jkt n TYR 76 Ca 0.33 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.65 2jkt n TYR 76 Cb 0.74 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.40 2jkt n TYR 76 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jkt n ALA 77 N 0.00 4.24 -0.50 2.98 0.00 0.10 -1.85 120.51 125.48 2jkt n ALA 77 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 53.44 52.98 2jkt n ALA 77 Cb 0.00 -0.85 0.33 0.00 0.00 0.00 0.00 19.45 18.93 2jkt n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jkt n LYS 78 N -1.62 3.98 0.00 0.00 5.02 -1.19 -3.55 118.16 120.80 2jkt n LYS 78 Ca 0.03 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 2jkt n LYS 78 Cb 0.36 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 2jkt n LYS 78 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jkt n SER 79 N 0.69 0.00 -2.66 4.39 2.88 -1.24 -4.93 113.62 112.75 2jkt n SER 79 Ca 0.23 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.58 2jkt n SER 79 Cb 0.96 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2jkt n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jkt n GLN 80 N -1.85 2.34 0.19 -1.46 1.13 -0.77 -4.93 117.38 112.03 2jkt n GLN 80 Ca 0.00 -3.98 0.18 0.00 -1.94 0.00 0.00 57.00 51.26 2jkt n GLN 80 Cb 0.00 -1.82 0.75 0.00 0.11 0.00 0.00 30.24 29.28 2jkt n GLN 80 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2jkt h PRO 81 N 2.82 0.00 -0.01 -1.09 0.13 -1.72 0.98 132.00 133.11 2jkt h PRO 81 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2jkt h PRO 81 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2jkt h PRO 81 CO 0.68 0.00 -0.12 -0.44 -0.23 0.00 0.00 178.00 177.89 2jkt h ASP 82 N 0.00 0.12 0.00 1.44 3.32 -1.91 -2.86 116.42 116.53 2jkt h ASP 82 Ca 0.12 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.41 2jkt h ASP 82 Cb 0.97 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2jkt h ASP 82 CO -0.00 0.86 0.00 0.23 -1.72 0.00 0.00 179.24 178.60 2jkt n MET 83 N -4.62 0.82 -0.10 3.56 2.81 0.25 -3.50 117.12 116.34 2jkt n MET 83 Ca -0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.64 2jkt n MET 83 Cb 0.43 -1.03 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 2jkt n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jkt n ALA 84 N -0.53 0.75 0.00 3.04 0.00 -0.64 -4.42 120.51 118.70 2jkt n ALA 84 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2jkt n ALA 84 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2jkt n ALA 84 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jkt n ILE 85 N -4.47 0.15 0.39 0.00 5.41 -1.11 -1.50 119.36 118.22 2jkt n ILE 85 Ca -0.25 0.04 0.13 0.00 1.00 0.00 0.00 62.75 63.68 2jkt n ILE 85 Cb 0.55 -1.04 0.42 0.00 -0.71 0.00 0.00 39.64 38.86 2jkt n ILE 85 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2jkt h MET 86 N 0.00 0.00 -0.09 0.38 2.86 -1.77 -3.09 114.93 113.22 2jkt h MET 86 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jkt h MET 86 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2jkt h MET 86 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 2jkt n ALA 87 N -1.94 2.56 -0.31 6.32 0.00 -0.57 -4.66 120.51 121.92 2jkt n ALA 87 Ca 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2jkt n ALA 87 Cb 0.39 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.69 2jkt n ALA 87 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2jkt h VAL 88 N 1.80 0.06 -0.07 0.00 -1.51 -1.77 0.16 116.25 114.93 2jkt h VAL 88 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 2jkt h VAL 88 Cb 0.39 0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 29.61 2jkt h VAL 88 CO 0.00 0.00 0.13 -0.55 -1.23 0.00 0.00 177.57 175.92 2jkt h ASN 89 N -0.07 0.00 0.82 4.19 -1.07 -1.89 -0.93 115.58 116.63 2jkt h ASN 89 Ca 0.29 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.45 2jkt h ASN 89 Cb 0.57 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.79 2jkt h ASN 89 CO -0.86 0.00 -1.28 0.28 0.07 0.00 0.00 177.43 175.63 2jkt h SER 90 N 0.00 0.00 0.44 6.14 0.02 -1.04 -2.84 113.55 116.28 2jkt h SER 90 Ca 0.03 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 2jkt h SER 90 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2jkt h SER 90 CO -0.00 0.81 -1.03 -0.26 -1.14 0.00 0.00 176.83 175.21 2jkt h PHE 91 N 0.00 0.55 -0.17 3.45 0.04 -1.05 -3.05 116.94 116.73 2jkt h PHE 91 Ca -0.14 -0.33 -0.14 0.00 2.80 0.00 0.00 57.97 60.16 2jkt h PHE 91 Cb 1.75 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.84 2jkt h PHE 91 CO 0.00 1.18 -0.48 0.28 -0.60 0.00 0.00 178.31 178.69 2jkt h VAL 92 N 0.17 1.32 0.06 -0.55 2.07 -1.37 -2.53 116.25 115.42 2jkt h VAL 92 Ca -0.09 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.75 2jkt h VAL 92 Cb 1.69 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 2jkt h VAL 92 CO 0.17 0.52 -0.22 0.50 0.02 0.00 0.00 177.57 178.56 2jkt h LYS 93 N 0.34 -0.37 0.00 1.57 3.64 -1.52 -0.88 116.57 119.35 2jkt h LYS 93 Ca 0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jkt h LYS 93 Cb 0.97 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2jkt h LYS 93 CO 0.08 -0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 176.77 2jkt n ASP 94 N -5.35 0.53 0.11 4.20 9.92 -1.15 -0.99 116.55 123.83 2jkt n ASP 94 Ca -0.06 0.67 0.11 0.00 -0.53 0.00 0.00 54.79 54.99 2jkt n ASP 94 Cb 0.26 -0.77 0.46 0.00 -0.64 0.00 0.00 41.12 40.43 2jkt n ASP 94 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jkt n GLU 96 N -2.14 0.63 -0.60 0.00 4.71 -0.16 -4.90 120.64 118.18 2jkt n GLU 96 Ca 0.03 0.22 -0.22 0.00 -0.01 0.00 0.00 57.16 57.18 2jkt n GLU 96 Cb 0.25 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.12 2jkt n GLU 96 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2jkt n ASP 97 N -3.69 -0.31 0.13 1.62 4.64 -1.07 -4.84 116.55 113.01 2jkt n ASP 97 Ca -0.48 0.47 -0.13 0.00 -1.38 0.00 0.00 54.79 53.27 2jkt n ASP 97 Cb 0.94 -0.39 -0.07 0.00 -1.04 0.00 0.00 41.12 40.57 2jkt n ASP 97 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2jkt h PRO 98 N 0.75 -0.29 -5.88 -0.67 0.13 -1.95 -3.41 132.00 120.68 2jkt h PRO 98 Ca -0.15 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.40 2jkt h PRO 98 Cb 0.60 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2jkt h PRO 98 CO 0.25 -0.19 1.50 -1.71 -0.23 0.00 0.00 178.00 177.62 2jkt n ASN 99 N -5.24 2.48 0.29 1.44 5.15 -1.26 -4.81 115.26 113.31 2jkt n ASN 99 Ca -0.08 0.17 0.18 0.00 -0.60 0.00 0.00 54.58 54.25 2jkt n ASN 99 Cb 0.16 -1.41 0.99 0.00 -0.53 0.00 0.00 39.78 39.00 2jkt n ASN 99 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2jkt h PRO 100 N 14.54 0.00 -0.39 1.20 0.11 -1.98 -0.44 132.00 145.05 2jkt h PRO 100 Ca -0.31 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2jkt h PRO 100 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2jkt h PRO 100 CO 1.04 0.00 0.11 -0.07 -0.21 0.00 0.00 178.00 178.87 2jkt h LEU 101 N 0.00 0.58 0.00 2.35 3.38 -1.94 0.12 115.31 119.80 2jkt h LEU 101 Ca 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 101 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jkt h LEU 101 CO -0.00 0.64 -0.09 2.30 0.09 0.00 0.00 178.44 181.38 2jkt n ILE 102 N -4.59 0.31 0.05 1.22 -5.35 -0.22 -0.69 119.36 110.09 2jkt n ILE 102 Ca -0.01 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 2jkt n ILE 102 Cb 0.19 -0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 37.56 2jkt n ILE 102 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2jkt h ARG 103 N 0.00 -0.21 -0.38 6.28 3.08 -1.03 -2.87 114.38 119.25 2jkt h ARG 103 Ca 0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2jkt h ARG 103 Cb 0.64 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 2jkt h ARG 103 CO 0.00 0.20 -0.05 0.00 -1.07 0.00 0.00 179.97 179.05 2jkt h ALA 104 N -0.44 0.30 -0.99 0.04 0.00 -0.76 -2.51 119.26 114.90 2jkt h ALA 104 Ca -0.02 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2jkt h ALA 104 Cb 0.50 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2jkt h ALA 104 CO 0.04 -0.43 0.63 1.25 0.00 0.00 0.00 179.25 180.73 2jkt h LEU 105 N 0.05 0.90 -0.94 0.00 5.85 -1.01 0.58 115.31 120.74 2jkt h LEU 105 Ca 0.19 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2jkt h LEU 105 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2jkt h LEU 105 CO -0.36 0.47 -0.28 0.00 -0.34 0.00 0.00 178.44 177.93 2jkt h ALA 106 N 1.55 1.10 0.01 1.25 0.00 -1.21 -2.71 119.26 119.25 2jkt h ALA 106 Ca 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jkt h ALA 106 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jkt h ALA 106 CO -0.26 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 179.82 2jkt h VAL 107 N 0.39 1.56 -0.27 0.00 2.07 -1.00 -2.20 116.25 116.80 2jkt h VAL 107 Ca 0.05 -1.91 0.08 0.00 0.82 0.00 0.00 66.70 65.74 2jkt h VAL 107 Cb 0.69 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2jkt h VAL 107 CO 0.05 0.48 0.21 -0.09 0.02 0.00 0.00 177.57 178.25 2jkt h ARG 108 N -0.86 0.00 0.13 1.57 2.43 -0.96 -1.82 114.38 114.87 2jkt h ARG 108 Ca -0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 2jkt h ARG 108 Cb 0.80 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2jkt h ARG 108 CO 0.00 0.00 -1.86 1.79 -1.51 0.00 0.00 179.97 178.39 2jkt h THR 109 N 0.00 0.78 -0.54 0.20 1.35 -1.61 -3.36 112.91 109.74 2jkt h THR 109 Ca 0.13 -2.46 0.10 0.00 -0.55 0.00 0.00 66.41 63.63 2jkt h THR 109 Cb 0.56 2.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.50 2jkt h THR 109 CO -0.00 0.85 0.09 -0.03 -0.25 0.00 0.00 175.52 176.18 2jkt h MET 110 N 0.08 0.21 0.00 4.72 4.05 -0.69 -1.35 114.93 121.96 2jkt h MET 110 Ca -0.37 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 2jkt h MET 110 Cb 2.05 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.80 2jkt h MET 110 CO 0.12 0.14 0.00 0.78 0.23 0.00 0.00 176.91 178.18 2jkt h GLY 111 N 0.22 0.00 1.84 1.39 0.00 -1.56 -2.57 103.07 102.40 2jkt h GLY 111 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2jkt h GLY 111 CO -0.37 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.17 2jkt s ILE 113 N -2.84 3.90 -1.15 0.00 1.01 -0.97 -4.19 121.20 116.95 2jkt s ILE 113 Ca 0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 2jkt s ILE 113 Cb 0.19 -5.00 0.05 0.00 0.01 0.00 0.00 42.46 37.71 2jkt s ILE 113 CO 0.49 -1.88 1.61 -0.13 0.00 0.00 0.00 174.94 175.03 2jkt s ARG 114 N 5.09 3.72 -0.07 2.79 0.52 -1.26 -4.86 118.95 124.87 2jkt s ARG 114 Ca 0.48 -1.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2jkt s ARG 114 Cb -0.00 -5.43 0.03 0.00 0.52 0.00 0.00 34.95 30.07 2jkt s ARG 114 CO -0.09 -2.32 0.18 0.08 0.02 0.00 0.00 175.30 173.17 2jkt s VAL 115 N 4.94 -0.03 -0.03 3.52 1.01 -1.26 -4.95 120.40 123.60 2jkt s VAL 115 Ca 0.51 0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.77 2jkt s VAL 115 Cb 0.02 -0.28 0.17 0.00 0.00 0.00 0.00 36.38 36.29 2jkt s VAL 115 CO -0.01 0.04 1.47 -2.24 0.00 0.00 0.00 175.10 174.37 2jkt h ASP 116 N 6.72 0.00 1.75 3.32 -0.00 -1.90 -1.81 116.42 124.50 2jkt h ASP 116 Ca -0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.63 2jkt h ASP 116 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.49 2jkt h ASP 116 CO 0.40 0.00 -0.25 0.11 -0.00 0.00 0.00 179.24 179.51 2jkt h LYS 117 N 0.00 0.00 -0.01 4.15 1.79 -1.95 -3.26 116.57 117.29 2jkt h LYS 117 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jkt h LYS 117 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2jkt h LYS 117 CO 0.00 0.21 -0.22 1.51 -1.08 0.00 0.00 179.45 179.87 2jkt n ILE 118 N -3.14 0.00 0.32 1.86 3.06 -0.68 -3.94 119.36 116.84 2jkt n ILE 118 Ca 0.03 -0.09 0.20 0.00 -2.50 0.00 0.00 62.75 60.40 2jkt n ILE 118 Cb 0.62 0.17 1.12 0.00 0.54 0.00 0.00 39.64 42.09 2jkt n ILE 118 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 2jkt h THR 119 N 0.81 0.18 0.03 9.51 1.35 -1.72 -2.70 112.91 120.37 2jkt h THR 119 Ca 0.00 -0.01 -0.37 0.00 -0.55 0.00 0.00 66.41 65.48 2jkt h THR 119 Cb 0.45 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.83 2jkt h THR 119 CO 0.00 0.00 -2.24 -0.62 -0.25 0.00 0.00 175.52 172.41 2jkt n GLU 120 N -3.33 0.68 0.17 4.72 1.02 -1.25 -4.02 120.64 118.63 2jkt n GLU 120 Ca -0.03 0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 2jkt n GLU 120 Cb 0.08 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 2jkt n GLU 120 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2jkt h TYR 121 N 0.02 -0.46 0.00 -0.32 -1.99 -1.73 -3.26 116.97 109.23 2jkt h TYR 121 Ca -0.50 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.22 2jkt h TYR 121 Cb 2.03 0.15 0.00 0.00 2.00 0.00 0.00 36.73 40.91 2jkt h TYR 121 CO 0.03 -0.15 0.00 -0.11 -0.00 0.00 0.00 178.16 177.93 2jkt n LEU 122 N -5.12 0.57 -0.08 3.88 7.94 -1.03 -3.91 117.00 119.25 2jkt n LEU 122 Ca -0.08 0.70 -0.08 0.00 -1.11 0.00 0.00 56.01 55.44 2jkt n LEU 122 Cb 0.26 -0.70 -0.01 0.00 0.53 0.00 0.00 43.42 43.51 2jkt n LEU 122 CO 0.24 -0.74 0.68 0.00 -1.11 0.00 0.00 177.39 176.45 2jkt h GLU 124 N -0.24 0.23 -0.06 0.00 3.07 -1.82 -3.05 114.58 112.71 2jkt h GLU 124 Ca 0.16 -0.39 -0.02 0.00 -0.50 0.00 0.00 59.36 58.61 2jkt h GLU 124 Cb 0.49 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 2jkt h GLU 124 CO -0.46 1.07 -0.05 -1.35 -1.40 0.00 0.00 179.01 176.82 2jkt h PRO 125 N 0.06 0.09 -0.02 2.33 0.11 -1.75 -1.27 132.00 131.54 2jkt h PRO 125 Ca -0.26 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.64 2jkt h PRO 125 Cb 2.01 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 33.10 2jkt h PRO 125 CO 0.15 0.15 -0.86 1.25 -0.21 0.00 0.00 178.00 178.48 2jkt h LEU 126 N 0.09 0.40 -2.04 2.35 6.46 -1.58 -2.19 115.31 118.80 2jkt h LEU 126 Ca 0.02 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 2jkt h LEU 126 Cb 0.15 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2jkt h LEU 126 CO 0.01 1.09 0.08 -0.09 -0.62 0.00 0.00 178.44 178.90 2jkt h ARG 127 N 0.19 0.00 0.01 1.25 9.65 -1.14 0.38 114.38 124.73 2jkt h ARG 127 Ca -0.05 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 2jkt h ARG 127 Cb 1.47 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.04 2jkt h ARG 127 CO 0.14 0.00 -0.56 -0.22 2.80 0.00 0.00 179.97 182.13 2jkt h LYS 128 N 0.00 0.03 0.00 0.20 3.64 -1.23 -3.32 116.57 115.89 2jkt h LYS 128 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 128 Cb 0.20 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jkt h LYS 128 CO -0.00 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 2jkt n LEU 130 N -2.30 0.34 -1.99 0.00 4.77 0.11 -3.11 117.00 114.82 2jkt n LEU 130 Ca 0.02 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 2jkt n LEU 130 Cb 0.21 -0.54 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2jkt n LEU 130 CO 0.19 -0.42 0.21 0.29 -1.33 0.00 0.00 177.39 176.33 2jkt n LYS 131 N -1.87 0.75 -0.88 3.23 5.02 -0.60 -4.95 118.16 118.85 2jkt n LYS 131 Ca 0.03 -2.06 -0.29 0.00 -2.02 0.00 0.00 58.31 53.96 2jkt n LYS 131 Cb 0.19 -0.27 0.18 0.00 -0.02 0.00 0.00 35.03 35.12 2jkt n LYS 131 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jkt s ASP 132 N -2.13 2.45 -0.03 4.39 -1.08 -0.70 -4.99 116.67 114.58 2jkt s ASP 132 Ca 0.20 1.61 -0.25 0.00 -0.52 0.00 0.00 52.55 53.59 2jkt s ASP 132 Cb 0.30 -2.27 -0.19 0.00 -1.46 0.00 0.00 42.92 39.31 2jkt s ASP 132 CO -0.09 -3.30 1.16 -0.33 0.52 0.00 0.00 175.17 173.13 2jkt h GLU 133 N -2.01 -0.12 -6.32 4.34 5.08 -1.92 -3.45 114.58 110.19 2jkt h GLU 133 Ca -0.53 0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.29 2jkt h GLU 133 Cb 1.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2jkt h GLU 133 CO 0.51 0.34 0.67 0.34 -1.00 0.00 0.00 179.01 179.87 2jkt s ASP 134 N -5.54 7.08 0.51 1.42 -1.08 -1.26 -4.95 116.67 112.84 2jkt s ASP 134 Ca -0.15 1.80 0.20 0.00 -0.52 0.00 0.00 52.55 53.88 2jkt s ASP 134 Cb 0.01 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 40.22 2jkt s ASP 134 CO 0.60 -0.56 2.10 -0.65 0.52 0.00 0.00 175.17 177.19 2jkt h PRO 135 N 7.36 0.00 0.00 4.34 0.11 -1.98 -0.76 132.00 141.07 2jkt h PRO 135 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2jkt h PRO 135 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jkt h PRO 135 CO 0.87 0.09 0.00 0.98 -0.21 0.00 0.00 178.00 179.73 2jkt n TYR 136 N -4.18 0.57 -0.03 0.65 9.36 -1.26 -0.24 117.16 122.03 2jkt n TYR 136 Ca -0.03 0.24 -0.21 0.00 3.32 0.00 0.00 57.90 61.22 2jkt n TYR 136 Cb 0.17 -0.88 -0.13 0.00 -0.63 0.00 0.00 39.34 37.87 2jkt n TYR 136 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2jkt n VAL 137 N -2.03 1.71 -0.02 2.97 0.31 -0.35 -4.03 118.33 116.89 2jkt n VAL 137 Ca 0.02 -0.59 -0.04 0.00 -0.01 0.00 0.00 64.34 63.72 2jkt n VAL 137 Cb 0.18 -1.71 0.18 0.00 -0.91 0.00 0.00 33.84 31.58 2jkt n VAL 137 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2jkt h ARG 138 N -0.05 0.58 -0.73 5.55 3.08 -0.87 -0.61 114.38 121.34 2jkt h ARG 138 Ca -0.45 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.33 2jkt h ARG 138 Cb 1.95 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.93 2jkt h ARG 138 CO 0.03 0.75 0.23 1.57 -1.07 0.00 0.00 179.97 181.48 2jkt h LYS 139 N 0.52 1.13 -0.58 0.04 2.10 -0.84 -1.50 116.57 117.43 2jkt h LYS 139 Ca 0.08 -0.24 -0.06 0.00 -2.00 0.00 0.00 60.65 58.43 2jkt h LYS 139 Cb 0.64 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 2jkt h LYS 139 CO 0.05 0.96 0.15 1.15 -2.00 0.00 0.00 179.45 179.76 2jkt h THR 140 N 1.08 1.25 -0.24 0.07 2.02 -1.61 -3.02 112.91 112.45 2jkt h THR 140 Ca 0.23 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2jkt h THR 140 Cb 0.30 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2jkt h THR 140 CO -0.01 0.33 -0.01 0.00 0.37 0.00 0.00 175.52 176.20 2jkt h ALA 141 N 1.03 0.33 -0.16 6.16 0.00 -0.98 -2.01 119.26 123.63 2jkt h ALA 141 Ca 0.18 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jkt h ALA 141 Cb 0.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2jkt h ALA 141 CO 0.00 0.08 -0.34 0.00 0.00 0.00 0.00 179.25 178.98 2jkt h ALA 142 N 0.80 -0.40 0.00 0.00 0.00 -1.15 0.18 119.26 118.68 2jkt h ALA 142 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jkt h ALA 142 Cb 0.44 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jkt h ALA 142 CO 0.02 -0.82 0.00 1.33 0.00 0.00 0.00 179.25 179.78 2jkt n VAL 143 N -5.42 0.62 0.19 0.00 0.24 -1.16 -1.45 118.33 111.36 2jkt n VAL 143 Ca -0.03 0.09 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 2jkt n VAL 143 Cb 0.34 -0.83 0.30 0.00 -1.47 0.00 0.00 33.84 32.18 2jkt n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jkt h VAL 145 N 0.00 1.26 -0.64 0.00 2.07 -0.07 -2.44 116.25 116.43 2jkt h VAL 145 Ca -0.00 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 2jkt h VAL 145 Cb 0.97 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2jkt h VAL 145 CO 0.04 0.29 0.07 0.00 0.02 0.00 0.00 177.57 177.99 2jkt h ALA 146 N 0.81 0.91 0.00 1.67 0.00 -1.60 0.50 119.26 121.55 2jkt h ALA 146 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jkt h ALA 146 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jkt h ALA 146 CO 0.01 0.66 0.00 1.17 0.00 0.00 0.00 179.25 181.10 2jkt n LYS 147 N -4.20 0.08 -0.07 0.00 4.81 -0.72 -1.95 118.16 116.10 2jkt n LYS 147 Ca 0.04 0.51 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 2jkt n LYS 147 Cb 0.31 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.58 2jkt n LYS 147 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2jkt n LEU 148 N -1.87 2.83 0.21 3.14 7.94 -0.81 -4.34 117.00 124.10 2jkt n LEU 148 Ca 0.00 -0.05 0.18 0.00 -1.11 0.00 0.00 56.01 55.03 2jkt n LEU 148 Cb 0.06 -0.49 0.83 0.00 0.53 0.00 0.00 43.42 44.35 2jkt n LEU 148 CO 0.08 0.70 1.16 -0.74 -1.11 0.00 0.00 177.39 177.48 2jkt h HIS 149 N -0.04 0.00 -0.37 1.96 2.76 -0.65 0.16 115.15 118.97 2jkt h HIS 149 Ca -0.32 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.83 2jkt h HIS 149 Cb 1.48 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 2jkt h HIS 149 CO 0.01 0.00 0.16 0.22 -1.30 0.00 0.00 177.93 177.02 2jkt h ASP 150 N 0.00 0.49 -0.56 3.26 -0.00 -1.59 -1.86 116.42 116.16 2jkt h ASP 150 Ca 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.97 2jkt h ASP 150 Cb 0.65 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 39.85 2jkt h ASP 150 CO -0.00 0.51 0.00 2.30 -0.00 0.00 0.00 179.24 182.04 2jkt n ILE 151 N -4.70 2.54 0.00 2.25 -5.35 0.36 -4.64 119.36 109.83 2jkt n ILE 151 Ca -0.01 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.06 2jkt n ILE 151 Cb 0.13 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 2jkt n ILE 151 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2jkt n ASN 152 N 0.63 0.00 -0.24 7.28 2.85 -0.02 -4.70 115.26 121.06 2jkt n ASN 152 Ca 0.27 0.00 0.31 0.00 -0.11 0.00 0.00 54.58 55.05 2jkt n ASN 152 Cb 1.11 0.00 0.72 0.00 1.24 0.00 0.00 39.78 42.86 2jkt n ASN 152 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jkt h ALA 153 N 0.00 2.92 0.28 5.20 0.00 -1.54 -0.22 119.26 125.90 2jkt h ALA 153 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jkt h ALA 153 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jkt h ALA 153 CO 0.00 -1.21 -0.13 0.37 0.00 0.00 0.00 179.25 178.28 2jkt h GLN 154 N 0.02 -0.36 -0.96 0.00 4.15 -1.95 -3.19 115.11 112.82 2jkt h GLN 154 Ca 0.48 0.02 0.30 0.00 0.77 0.00 0.00 58.65 60.22 2jkt h GLN 154 Cb 1.90 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 29.52 2jkt h GLN 154 CO -0.02 -0.04 0.42 1.98 -1.93 0.00 0.00 178.83 179.25 2jkt h MET 155 N -0.96 0.24 -0.26 1.69 4.05 -1.44 0.26 114.93 118.50 2jkt h MET 155 Ca -0.04 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 2jkt h MET 155 Cb 0.48 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 2jkt h MET 155 CO 0.06 0.16 -0.48 0.28 0.23 0.00 0.00 176.91 177.16 2jkt h VAL 156 N 0.24 1.30 0.00 -5.77 2.07 -1.60 -0.94 116.25 111.55 2jkt h VAL 156 Ca 0.68 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2jkt h VAL 156 Cb 1.51 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2jkt h VAL 156 CO -0.65 0.54 -0.30 -0.33 0.02 0.00 0.00 177.57 176.84 2jkt h GLU 157 N 0.55 0.00 0.00 1.57 5.08 -0.57 -3.05 114.58 118.16 2jkt h GLU 157 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jkt h GLU 157 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jkt h GLU 157 CO 0.10 0.30 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.97 2jkt h ASP 158 N 0.00 0.00 0.00 1.42 3.32 -0.64 -3.35 116.42 117.18 2jkt h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jkt h ASP 158 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2jkt h ASP 158 CO 0.04 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 2jkt n GLN 159 N -3.89 0.20 -0.52 3.56 1.13 -0.39 -4.76 117.38 112.71 2jkt n GLN 159 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jkt n GLN 159 Cb 0.00 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.32 2jkt n GLN 159 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkt n GLY 160 N -0.04 1.65 0.36 1.08 0.00 -1.25 -4.85 105.19 102.14 2jkt n GLY 160 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2jkt n GLY 160 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jkt h PHE 161 N 0.00 0.00 -0.43 1.61 0.05 -1.83 0.39 116.94 116.73 2jkt h PHE 161 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2jkt h PHE 161 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.93 2jkt h PHE 161 CO 0.00 0.00 0.27 -0.07 -0.18 0.00 0.00 178.31 178.33 2jkt h LEU 162 N 0.00 0.51 -0.70 1.54 -0.00 -1.82 -0.44 115.31 114.40 2jkt h LEU 162 Ca 0.10 -0.04 -0.12 0.00 -0.00 0.00 0.00 57.88 57.83 2jkt h LEU 162 Cb 0.75 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2jkt h LEU 162 CO -0.00 0.40 -0.55 0.44 -0.00 0.00 0.00 178.44 178.73 2jkt h ASP 163 N 0.58 0.00 -0.25 -0.43 3.32 -0.64 -2.87 116.42 116.12 2jkt h ASP 163 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2jkt h ASP 163 Cb -0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2jkt h ASP 163 CO -0.03 0.55 0.03 -1.28 -1.72 0.00 0.00 179.24 176.79 2jkt h SER 164 N 0.00 0.41 -0.15 6.45 0.87 -0.66 -2.21 113.55 118.26 2jkt h SER 164 Ca -0.01 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2jkt h SER 164 Cb 1.10 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2jkt h SER 164 CO 0.07 0.58 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.88 2jkt h LEU 165 N 0.23 0.35 -1.71 2.23 4.07 -1.07 -1.09 115.31 118.32 2jkt h LEU 165 Ca 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2jkt h LEU 165 Cb 0.35 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2jkt h LEU 165 CO 0.01 0.42 0.00 0.03 -1.08 0.00 0.00 178.44 177.81 2jkt h ARG 166 N 0.38 0.00 0.10 1.13 3.08 -1.25 -2.96 114.38 114.86 2jkt h ARG 166 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jkt h ARG 166 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2jkt h ARG 166 CO 0.01 0.00 -0.05 0.22 -1.07 0.00 0.00 179.97 179.08 2jkt h ASP 167 N 0.00 -0.11 0.00 7.04 3.58 -0.60 -3.35 116.42 122.98 2jkt h ASP 167 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jkt h ASP 167 Cb 0.38 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2jkt h ASP 167 CO 0.00 0.19 0.63 -0.07 -2.88 0.00 0.00 179.24 177.11 2jkt h LEU 168 N -0.68 0.00 -1.19 2.28 4.07 -1.29 0.48 115.31 118.98 2jkt h LEU 168 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2jkt h LEU 168 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 2jkt h LEU 168 CO 0.02 0.00 -0.37 0.16 -1.08 0.00 0.00 178.44 177.17 2jkt h ILE 169 N 0.00 1.09 -0.22 1.22 -0.00 -1.66 -1.80 117.51 116.14 2jkt h ILE 169 Ca 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 64.86 63.50 2jkt h ILE 169 Cb 1.25 1.77 0.00 0.00 -0.00 0.00 0.00 36.82 39.84 2jkt h ILE 169 CO 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 178.15 178.51 2jkt n ALA 170 N -2.39 2.50 -0.55 0.16 0.00 0.17 -4.87 120.51 115.53 2jkt n ALA 170 Ca -0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2jkt n ALA 170 Cb 0.44 -1.05 0.22 0.00 0.00 0.00 0.00 19.45 19.07 2jkt n ALA 170 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jkt n ASP 171 N 0.51 -1.08 0.00 0.00 4.64 -0.68 -5.02 116.55 114.93 2jkt n ASP 171 Ca 0.16 0.04 0.00 0.00 -1.38 0.00 0.00 54.79 53.61 2jkt n ASP 171 Cb 0.37 -1.32 0.00 0.00 -1.04 0.00 0.00 41.12 39.12 2jkt n ASP 171 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2jkt n SER 172 N -4.58 0.00 -4.68 1.67 7.64 -1.26 -4.77 113.62 107.64 2jkt n SER 172 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.52 2jkt n SER 172 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 2jkt n SER 172 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jkt s ASN 173 N -1.57 6.57 0.49 6.43 4.22 -1.26 -4.86 114.94 124.96 2jkt s ASN 173 Ca 0.00 2.50 0.26 0.00 -2.14 0.00 0.00 52.86 53.48 2jkt s ASN 173 Cb 0.00 -2.55 1.33 0.00 1.28 0.00 0.00 41.25 41.31 2jkt s ASN 173 CO 0.00 -0.93 1.88 -0.65 -2.04 0.00 0.00 177.10 175.35 2jkt h PRO 174 N 8.90 0.15 -0.10 3.55 0.11 -1.96 -1.16 132.00 141.49 2jkt h PRO 174 Ca -0.43 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2jkt h PRO 174 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jkt h PRO 174 CO 0.94 0.10 0.22 1.98 -0.21 0.00 0.00 178.00 181.02 2jkt h MET 175 N 0.15 0.00 0.00 1.05 4.05 -1.89 0.73 114.93 119.02 2jkt h MET 175 Ca 0.44 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.57 2jkt h MET 175 Cb 1.49 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.25 2jkt h MET 175 CO -0.08 0.00 -1.57 0.28 0.23 0.00 0.00 176.91 175.77 2jkt n VAL 176 N -3.36 1.54 -0.23 -5.77 0.31 -0.44 -3.66 118.33 106.72 2jkt n VAL 176 Ca -0.00 -0.12 0.03 0.00 -0.01 0.00 0.00 64.34 64.24 2jkt n VAL 176 Cb 0.31 -2.00 0.12 0.00 -0.91 0.00 0.00 33.84 31.36 2jkt n VAL 176 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jkt h VAL 177 N -0.97 0.38 -0.14 2.52 2.07 -1.37 -0.30 116.25 118.44 2jkt h VAL 177 Ca -0.43 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.08 2jkt h VAL 177 Cb 1.39 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2jkt h VAL 177 CO -0.25 0.02 -0.34 0.00 0.02 0.00 0.00 177.57 177.01 2jkt h ALA 178 N 1.66 -0.68 0.00 1.67 0.00 0.28 -0.91 119.26 121.27 2jkt h ALA 178 Ca 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2jkt h ALA 178 Cb 0.61 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jkt h ALA 178 CO -0.63 -0.82 -0.08 -0.91 0.00 0.00 0.00 179.25 176.81 2jkt h ASN 179 N -0.33 0.00 -0.11 0.00 2.35 -1.37 -2.37 115.58 113.75 2jkt h ASN 179 Ca 0.03 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2jkt h ASN 179 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2jkt h ASN 179 CO -0.31 0.08 -0.25 0.00 -1.65 0.00 0.00 177.43 175.30 2jkt h ALA 180 N 1.92 0.18 -0.63 -0.83 0.00 -0.71 -1.59 119.26 117.61 2jkt h ALA 180 Ca -0.00 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.59 2jkt h ALA 180 Cb 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jkt h ALA 180 CO 0.01 0.17 0.42 0.28 0.00 0.00 0.00 179.25 180.12 2jkt h VAL 181 N -0.06 0.98 0.05 0.00 2.07 -0.72 -0.14 116.25 118.44 2jkt h VAL 181 Ca 0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2jkt h VAL 181 Cb 0.84 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jkt h VAL 181 CO 0.05 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 2jkt h ALA 182 N 1.66 -0.07 -0.50 1.67 0.00 -1.43 -2.14 119.26 118.46 2jkt h ALA 182 Ca 0.27 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jkt h ALA 182 Cb 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jkt h ALA 182 CO -0.08 -0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.39 2jkt h ALA 183 N -0.29 1.86 -0.15 0.00 0.00 -1.21 -0.84 119.26 118.62 2jkt h ALA 183 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2jkt h ALA 183 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jkt h ALA 183 CO 0.01 0.07 -0.26 1.25 0.00 0.00 0.00 179.25 180.32 2jkt h LEU 184 N 0.48 0.49 -1.32 0.00 5.85 -1.07 -2.91 115.31 116.83 2jkt h LEU 184 Ca 0.21 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jkt h LEU 184 Cb 0.23 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2jkt h LEU 184 CO -0.06 0.93 -0.14 0.77 -0.34 0.00 0.00 178.44 179.61 2jkt h SER 185 N 0.06 0.00 0.97 1.25 4.64 -1.03 -1.37 113.55 118.08 2jkt h SER 185 Ca 0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2jkt h SER 185 Cb 0.84 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2jkt h SER 185 CO 0.06 0.14 -0.34 -0.08 -0.87 0.00 0.00 176.83 175.74 2jkt h GLU 186 N 0.00 0.00 0.00 4.77 4.81 -1.11 -2.38 114.58 120.67 2jkt h GLU 186 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2jkt h GLU 186 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2jkt h GLU 186 CO 0.02 0.34 -0.34 0.82 -0.73 0.00 0.00 179.01 179.12 2jkt h ILE 187 N 0.00 0.77 -1.07 2.32 2.04 -1.26 -3.27 117.51 117.05 2jkt h ILE 187 Ca -0.00 -1.68 0.31 0.00 1.00 0.00 0.00 64.86 64.49 2jkt h ILE 187 Cb 0.92 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 2jkt h ILE 187 CO 0.04 0.26 0.77 -1.28 0.00 0.00 0.00 178.15 177.95 2jkt h SER 188 N -1.00 0.00 0.06 1.72 0.87 -1.31 0.11 113.55 114.00 2jkt h SER 188 Ca -0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2jkt h SER 188 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2jkt h SER 188 CO -0.04 0.00 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.15 2jkt h GLU 189 N 0.00 -0.08 0.00 2.24 4.81 -1.56 -3.02 114.58 116.97 2jkt h GLU 189 Ca 0.51 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2jkt h GLU 189 Cb 2.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.44 2jkt h GLU 189 CO -0.01 0.38 0.03 1.03 -0.73 0.00 0.00 179.01 179.72 2jkt h SER 190 N -0.58 0.00 -2.90 1.04 0.87 -0.85 -3.07 113.55 108.06 2jkt h SER 190 Ca -0.01 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.94 2jkt h SER 190 Cb 0.50 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.05 2jkt h SER 190 CO 0.01 0.00 -0.72 -1.00 -0.53 0.00 0.00 176.83 174.60 2jkt s HIS 191 N -4.07 2.66 0.05 2.24 3.76 -0.75 -5.00 115.29 114.19 2jkt s HIS 191 Ca -0.05 -2.95 -0.23 0.00 -0.15 0.00 0.00 55.06 51.68 2jkt s HIS 191 Cb 0.12 -2.07 -0.15 0.00 1.11 0.00 0.00 32.58 31.58 2jkt s HIS 191 CO 0.37 -0.65 1.55 -1.35 -0.85 0.00 0.00 174.74 173.80 2jkt h PRO 192 N 5.57 0.09 -0.07 8.40 0.11 -1.46 -3.20 132.00 141.43 2jkt h PRO 192 Ca 0.17 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 2jkt h PRO 192 Cb 0.82 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2jkt h PRO 192 CO 0.59 0.28 -0.57 -2.95 -0.21 0.00 0.00 178.00 175.13 2jkt h ASN 193 N -0.11 0.25 -0.02 -2.05 -0.00 -1.91 -3.22 115.58 108.52 2jkt h ASN 193 Ca 0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.18 2jkt h ASN 193 Cb 0.23 -0.07 -0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2jkt h ASN 193 CO -0.00 0.77 0.16 0.28 -0.00 0.00 0.00 177.43 178.64 2jkt h SER 194 N 0.17 0.00 -5.93 6.14 0.02 -1.91 -3.46 113.55 108.58 2jkt h SER 194 Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.56 2jkt h SER 194 Cb 1.06 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.69 2jkt h SER 194 CO 0.09 0.00 -0.82 0.59 -1.14 0.00 0.00 176.83 175.55 2jkt n ASN 195 N -3.06 -1.91 0.21 3.07 4.13 -1.22 -4.90 115.26 111.59 2jkt n ASN 195 Ca -0.02 -0.77 0.15 0.00 1.68 0.00 0.00 54.58 55.62 2jkt n ASN 195 Cb 0.22 -4.39 0.58 0.00 -1.54 0.00 0.00 39.78 34.65 2jkt n ASN 195 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2jkt h LEU 196 N -1.83 0.00 0.01 3.41 3.38 -1.86 -3.05 115.31 115.37 2jkt h LEU 196 Ca -0.61 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.05 2jkt h LEU 196 Cb 1.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2jkt h LEU 196 CO 0.53 0.00 -1.68 0.18 0.09 0.00 0.00 178.44 177.56 2jkt n LEU 197 N -2.75 1.95 0.00 1.67 4.77 -1.26 -4.94 117.00 116.44 2jkt n LEU 197 Ca 0.02 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2jkt n LEU 197 Cb 0.30 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2jkt n LEU 197 CO 0.25 0.40 0.00 -0.90 -1.33 0.00 0.00 177.39 175.81 2jkt n ASP 198 N -4.31 0.00 -3.23 -1.43 5.75 -1.15 -4.77 116.55 107.41 2jkt n ASP 198 Ca -0.39 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.15 2jkt n ASP 198 Cb 0.77 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.88 2jkt n ASP 198 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2jkt n LEU 199 N 0.00 -4.91 -4.92 -2.12 7.99 -1.26 -5.01 117.00 106.77 2jkt n LEU 199 Ca 0.00 0.11 -0.27 0.00 -0.01 0.00 0.00 56.01 55.85 2jkt n LEU 199 Cb 0.00 -2.41 -0.02 0.00 -0.11 0.00 0.00 43.42 40.87 2jkt n LEU 199 CO 0.00 -1.03 0.18 0.54 -1.51 0.00 0.00 177.39 175.58 2jkt s ASN 200 N -2.03 6.37 0.13 -1.43 4.22 -1.26 -4.93 114.94 116.00 2jkt s ASN 200 Ca 0.31 0.58 0.04 0.00 -2.14 0.00 0.00 52.86 51.65 2jkt s ASN 200 Cb -0.05 -2.09 0.23 0.00 1.28 0.00 0.00 41.25 40.62 2jkt s ASN 200 CO 0.83 -0.24 0.92 -2.65 -2.04 0.00 0.00 177.10 173.93 2jkt n PRO 201 N -1.30 0.03 -0.13 3.55 -0.02 -1.26 -1.98 135.00 133.89 2jkt n PRO 201 Ca -0.03 0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 2jkt n PRO 201 Cb 0.55 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 2jkt n PRO 201 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkt n GLN 202 N -1.54 0.59 0.00 -0.52 -0.00 -1.26 -4.38 117.38 110.27 2jkt n GLN 202 Ca -0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.00 57.20 2jkt n GLN 202 Cb 0.31 -1.47 0.02 0.00 -0.00 0.00 0.00 30.24 29.10 2jkt n GLN 202 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2jkt n ASN 203 N -3.73 0.00 0.10 2.61 6.94 -0.84 -2.62 115.26 117.73 2jkt n ASN 203 Ca -0.48 -1.66 -0.16 0.00 -0.02 0.00 0.00 54.58 52.26 2jkt n ASN 203 Cb 0.92 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.22 2jkt n ASN 203 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2jkt h ILE 204 N 0.00 1.47 0.00 1.53 6.09 -1.69 -3.17 117.51 121.73 2jkt h ILE 204 Ca 0.00 -2.92 -0.11 0.00 -1.37 0.00 0.00 64.86 60.46 2jkt h ILE 204 Cb 0.00 2.85 -0.02 0.00 0.47 0.00 0.00 36.82 40.12 2jkt h ILE 204 CO 0.00 0.86 -0.51 0.78 -3.07 0.00 0.00 178.15 176.21 2jkt h ASN 205 N 0.11 0.00 -0.05 2.19 2.35 -1.76 -0.90 115.58 117.52 2jkt h ASN 205 Ca -0.13 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2jkt h ASN 205 Cb 1.90 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.26 2jkt h ASN 205 CO 0.20 0.51 -0.06 0.50 -1.65 0.00 0.00 177.43 176.92 2jkt h LYS 206 N 0.00 -0.04 0.00 0.81 3.64 -1.65 -2.81 116.57 116.53 2jkt h LYS 206 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 206 Cb 0.90 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2jkt h LYS 206 CO 0.07 -0.03 -0.13 1.47 -2.27 0.00 0.00 179.45 178.56 2jkt n LEU 207 N -3.03 0.43 0.00 5.20 -0.00 -1.20 -2.99 117.00 115.40 2jkt n LEU 207 Ca -0.00 0.43 0.07 0.00 -0.00 0.00 0.00 56.01 56.51 2jkt n LEU 207 Cb 0.04 -0.37 0.32 0.00 -0.00 0.00 0.00 43.42 43.41 2jkt n LEU 207 CO -0.00 -0.06 0.69 -0.11 -0.00 0.00 0.00 177.39 177.92 2jkt n LEU 208 N -1.84 0.00 -0.11 1.47 0.00 -0.35 -2.76 117.00 113.42 2jkt n LEU 208 Ca 0.06 0.37 -0.14 0.00 0.00 0.00 0.00 56.01 56.30 2jkt n LEU 208 Cb 0.38 -0.37 -0.11 0.00 0.00 0.00 0.00 43.42 43.32 2jkt n LEU 208 CO 0.30 -0.20 -1.21 0.41 0.00 0.00 0.00 177.39 176.69 2jkt n THR 209 N -1.37 1.28 0.33 1.96 -1.04 -1.16 -4.33 114.28 109.95 2jkt n THR 209 Ca 0.05 -0.56 0.14 0.00 -2.04 0.00 0.00 64.05 61.65 2jkt n THR 209 Cb 0.13 -1.13 0.61 0.00 -1.82 0.00 0.00 70.33 68.12 2jkt n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jkt h ALA 210 N 0.20 1.00 0.00 2.41 0.00 -1.63 -2.51 119.26 118.73 2jkt h ALA 210 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jkt h ALA 210 Cb 1.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 2jkt h ALA 210 CO -0.05 0.00 -0.01 1.25 0.00 0.00 0.00 179.25 180.44 2jkt h LEU 211 N 0.00 0.00 -3.86 0.00 5.85 -1.71 -1.77 115.31 113.81 2jkt h LEU 211 Ca 0.00 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 2jkt h LEU 211 Cb 0.35 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.14 2jkt h LEU 211 CO 0.00 0.01 0.74 0.59 -0.34 0.00 0.00 178.44 179.44 2jkt n ASN 212 N -3.16 7.33 0.00 1.25 3.02 -0.94 -4.75 115.26 118.01 2jkt n ASN 212 Ca -0.02 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 50.96 2jkt n ASN 212 Cb 0.15 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2jkt n ASN 212 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jkt n GLU 213 N -0.51 0.00 -1.38 3.52 1.02 -0.69 -5.05 120.64 117.54 2jkt n GLU 213 Ca 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2jkt n GLU 213 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 2jkt n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jkt n THR 215 N -0.47 0.00 0.07 0.00 5.66 -1.26 -3.54 114.28 114.73 2jkt n THR 215 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 2jkt n THR 215 Cb 0.00 -0.13 -0.01 0.00 -1.55 0.00 0.00 70.33 68.64 2jkt n THR 215 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2jkt h GLU 216 N 0.00 -0.18 -6.74 1.09 4.11 -2.00 -3.32 114.58 107.55 2jkt h GLU 216 Ca 0.01 0.01 -0.57 0.00 0.07 0.00 0.00 59.36 58.88 2jkt h GLU 216 Cb 0.35 0.04 0.15 0.00 0.50 0.00 0.00 28.75 29.79 2jkt h GLU 216 CO 0.00 -0.12 0.10 0.91 0.07 0.00 0.00 179.01 179.97 2jkt n TRP 217 N -2.61 0.84 0.00 2.06 7.02 -1.26 -1.29 117.44 122.20 2jkt n TRP 217 Ca -0.02 0.48 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 2jkt n TRP 217 Cb 0.07 -2.16 0.00 0.00 -2.42 0.00 0.00 31.31 26.80 2jkt n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jkt n GLY 218 N 1.28 2.80 0.23 6.99 0.00 -1.26 -4.66 105.19 110.58 2jkt n GLY 218 Ca 0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2jkt n GLY 218 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jkt h GLN 219 N 0.00 0.67 0.12 1.61 4.20 -1.24 0.13 115.11 120.60 2jkt h GLN 219 Ca 0.00 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2jkt h GLN 219 Cb 0.00 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2jkt h GLN 219 CO 0.00 0.98 -0.06 0.82 -0.67 0.00 0.00 178.83 179.91 2jkt h ILE 220 N 0.54 0.95 -0.47 2.54 2.04 -1.82 -0.75 117.51 120.54 2jkt h ILE 220 Ca 0.03 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2jkt h ILE 220 Cb 0.99 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2jkt h ILE 220 CO 0.09 0.06 0.32 -0.26 0.00 0.00 0.00 178.15 178.36 2jkt h PHE 221 N -0.27 0.36 0.13 1.37 0.05 -1.84 -0.92 116.94 115.82 2jkt h PHE 221 Ca -0.02 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 2jkt h PHE 221 Cb 0.22 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.05 2jkt h PHE 221 CO -0.03 0.19 -0.06 0.82 -0.18 0.00 0.00 178.31 179.04 2jkt h ILE 222 N 0.36 0.70 -0.74 -0.55 2.04 -0.62 -3.20 117.51 115.50 2jkt h ILE 222 Ca 0.21 -1.23 0.15 0.00 1.00 0.00 0.00 64.86 64.98 2jkt h ILE 222 Cb 0.36 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 2jkt h ILE 222 CO -0.05 0.21 0.26 -0.07 0.00 0.00 0.00 178.15 178.50 2jkt h LEU 223 N -0.95 0.20 -1.16 1.44 3.38 -0.91 0.48 115.31 117.80 2jkt h LEU 223 Ca -0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jkt h LEU 223 Cb 0.47 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jkt h LEU 223 CO 0.03 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.09 2jkt n ASP 224 N -5.05 0.62 0.05 -0.43 10.43 -0.37 -1.20 116.55 120.60 2jkt n ASP 224 Ca 0.14 0.73 -0.15 0.00 2.57 0.00 0.00 54.79 58.08 2jkt n ASP 224 Cb 0.42 -0.83 -0.14 0.00 1.84 0.00 0.00 41.12 42.41 2jkt n ASP 224 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2jkt h LEU 226 N 0.05 0.01 -0.69 0.00 3.38 -0.47 -2.69 115.31 114.90 2jkt h LEU 226 Ca -0.24 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.87 2jkt h LEU 226 Cb 2.00 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.63 2jkt h LEU 226 CO 0.14 0.44 0.00 0.28 0.09 0.00 0.00 178.44 179.40 2jkt h SER 227 N 0.01 -0.32 0.73 -0.43 0.02 -1.54 -0.96 113.55 111.06 2jkt h SER 227 Ca -0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2jkt h SER 227 Cb 0.77 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2jkt h SER 227 CO 0.06 -0.15 0.00 0.78 -1.14 0.00 0.00 176.83 176.38 2jkt h ASN 228 N 0.11 0.00 -4.04 3.07 -0.26 -1.66 -3.44 115.58 109.36 2jkt h ASN 228 Ca 0.37 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.63 2jkt h ASN 228 Cb 0.63 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.90 2jkt h ASN 228 CO -0.60 0.00 0.29 -0.47 -1.06 0.00 0.00 177.43 175.59 2jkt s TYR 229 N -3.71 3.46 -0.25 1.19 5.04 -0.37 -5.07 117.35 117.64 2jkt s TYR 229 Ca 0.00 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 55.95 2jkt s TYR 229 Cb 0.10 -2.68 0.13 0.00 0.35 0.00 0.00 41.96 39.85 2jkt s TYR 229 CO 0.48 -0.29 0.33 0.54 -1.34 0.00 0.00 175.55 175.27 2jkt s ASN 230 N -3.11 0.79 0.51 4.32 2.20 -1.26 -5.01 114.94 113.38 2jkt s ASN 230 Ca 0.56 -0.15 0.29 0.00 -0.94 0.00 0.00 52.86 52.62 2jkt s ASN 230 Cb -0.10 0.84 1.40 0.00 -2.00 0.00 0.00 41.25 41.38 2jkt s ASN 230 CO 0.32 -0.33 1.87 -0.65 -2.94 0.00 0.00 177.10 175.37 2jkt h PRO 231 N 8.22 0.09 -6.81 3.55 0.11 -1.97 -3.46 132.00 131.73 2jkt h PRO 231 Ca -0.16 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.41 2jkt h PRO 231 Cb 1.13 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jkt h PRO 231 CO 0.29 0.06 -1.05 1.63 -0.21 0.00 0.00 178.00 178.71 2jkt n LYS 232 N -4.33 -1.00 0.00 1.05 5.02 -1.26 -4.95 118.16 112.70 2jkt n LYS 232 Ca 0.19 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2jkt n LYS 232 Cb 0.93 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2jkt n LYS 232 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jkt n ASP 233 N -2.42 0.00 -0.21 4.39 -0.08 -1.26 -5.03 116.55 111.93 2jkt n ASP 233 Ca -0.23 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 52.99 2jkt n ASP 233 Cb 0.64 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.13 2jkt n ASP 233 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2jkt h ASP 234 N 0.00 0.73 1.00 1.67 3.45 -1.95 -2.14 116.42 119.19 2jkt h ASP 234 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2jkt h ASP 234 Cb 0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 2jkt h ASP 234 CO 0.00 0.59 0.00 0.54 -1.57 0.00 0.00 179.24 178.80 2jkt n ARG 235 N -4.60 0.05 0.06 3.56 1.74 -1.26 -2.25 116.66 113.97 2jkt n ARG 235 Ca 0.04 0.09 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 2jkt n ARG 235 Cb 0.07 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.79 2jkt n ARG 235 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2jkt h GLU 236 N 0.00 0.37 -0.28 5.56 4.81 -1.83 -3.20 114.58 120.00 2jkt h GLU 236 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.56 2jkt h GLU 236 Cb 0.50 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2jkt h GLU 236 CO 0.00 1.30 0.00 0.00 -0.73 0.00 0.00 179.01 179.59 2jkt h ALA 237 N 0.08 1.49 -0.11 2.92 0.00 -1.27 -1.48 119.26 120.90 2jkt h ALA 237 Ca -0.34 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 2jkt h ALA 237 Cb 2.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2jkt h ALA 237 CO 0.16 0.37 -0.78 0.37 0.00 0.00 0.00 179.25 179.37 2jkt h GLN 238 N 0.41 0.60 0.00 0.00 -0.00 -1.56 -0.38 115.11 114.18 2jkt h GLN 238 Ca 0.09 -0.50 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 2jkt h GLN 238 Cb 0.27 0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.86 2jkt h GLN 238 CO 0.01 1.13 -0.65 0.77 0.00 0.00 0.00 178.83 180.08 2jkt h SER 239 N 0.41 0.00 0.11 -0.69 0.02 -1.53 -2.81 113.55 109.06 2jkt h SER 239 Ca -0.05 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 2jkt h SER 239 Cb 1.38 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.94 2jkt h SER 239 CO 0.15 0.02 -0.67 -0.29 -1.14 0.00 0.00 176.83 174.90 2jkt h ILE 240 N 0.00 1.55 -0.63 3.27 2.10 -1.23 -3.29 117.51 119.28 2jkt h ILE 240 Ca 0.00 -2.49 0.06 0.00 1.08 0.00 0.00 64.86 63.51 2jkt h ILE 240 Cb 0.93 3.22 -0.05 0.00 -1.09 0.00 0.00 36.82 39.82 2jkt h ILE 240 CO 0.00 0.69 0.34 0.00 -1.08 0.00 0.00 178.15 178.10 2jkt n GLU 242 N -4.82 0.50 0.00 0.00 4.07 -1.06 -1.53 120.64 117.80 2jkt n GLU 242 Ca 0.07 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.24 2jkt n GLU 242 Cb 0.17 -1.49 -0.07 0.00 -0.06 0.00 0.00 31.44 29.98 2jkt n GLU 242 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jkt n ARG 243 N -0.99 2.59 -0.01 5.31 5.12 0.41 -4.26 116.66 124.83 2jkt n ARG 243 Ca 0.12 -0.02 0.08 0.00 -1.93 0.00 0.00 57.85 56.10 2jkt n ARG 243 Cb 0.05 -1.13 -0.12 0.00 -1.16 0.00 0.00 32.46 30.10 2jkt n ARG 243 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2jkt n VAL 244 N -1.29 0.00 -0.35 1.55 0.24 -0.68 -4.72 118.33 113.08 2jkt n VAL 244 Ca 0.03 -0.33 0.27 0.00 -2.04 0.00 0.00 64.34 62.26 2jkt n VAL 244 Cb 0.21 0.28 0.52 0.00 -1.47 0.00 0.00 33.84 33.38 2jkt n VAL 244 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2jkt h THR 245 N 0.00 0.27 -0.53 3.34 2.02 -1.46 -0.82 112.91 115.74 2jkt h THR 245 Ca 0.00 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 2jkt h THR 245 Cb 0.69 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2jkt h THR 245 CO 0.00 0.05 -0.10 -0.65 0.37 0.00 0.00 175.52 175.19 2jkt h PRO 246 N 0.26 0.98 0.00 6.66 0.11 -1.85 -3.07 132.00 135.09 2jkt h PRO 246 Ca 0.75 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2jkt h PRO 246 Cb 1.88 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.92 2jkt h PRO 246 CO -0.55 1.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 2jkt n ARG 247 N -4.15 0.00 -0.57 1.05 5.12 -0.31 -3.27 116.66 114.53 2jkt n ARG 247 Ca 0.02 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.86 2jkt n ARG 247 Cb 0.39 -1.26 0.03 0.00 -1.16 0.00 0.00 32.46 30.45 2jkt n ARG 247 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jkt n LEU 248 N -0.67 5.27 0.00 0.55 4.77 -1.16 -3.70 117.00 122.05 2jkt n LEU 248 Ca 0.00 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 2jkt n LEU 248 Cb 0.00 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2jkt n LEU 248 CO 0.00 0.96 0.00 -1.20 -1.33 0.00 0.00 177.39 175.82 2jkt n SER 249 N 0.65 0.00 -2.58 -1.43 7.64 -1.20 -4.77 113.62 111.93 2jkt n SER 249 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2jkt n SER 249 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2jkt n SER 249 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jkt n HIS 250 N -0.42 0.00 0.00 1.43 -0.00 -1.24 -4.76 115.22 110.22 2jkt n HIS 250 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jkt n HIS 250 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 2jkt n HIS 250 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jkt n ALA 251 N 2.01 0.00 -0.13 1.57 0.00 -1.26 -4.64 120.51 118.07 2jkt n ALA 251 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jkt n ALA 251 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jkt n ALA 251 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jkt n ASN 252 N 5.41 0.00 0.34 0.00 2.85 -1.26 -4.68 115.26 117.92 2jkt n ASN 252 Ca 0.00 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.66 2jkt n ASN 252 Cb 0.00 0.00 1.03 0.00 1.24 0.00 0.00 39.78 42.05 2jkt n ASN 252 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2jkt h SER 253 N 0.19 0.00 1.10 1.20 4.64 -1.97 0.44 113.55 119.16 2jkt h SER 253 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jkt h SER 253 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jkt h SER 253 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2jkt n ALA 254 N -1.99 2.08 -0.06 5.18 0.00 -1.26 -0.76 120.51 123.69 2jkt n ALA 254 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 2jkt n ALA 254 Cb 0.21 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 2jkt n ALA 254 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jkt h VAL 255 N 0.00 0.93 0.03 0.00 2.07 -1.23 -3.14 116.25 114.92 2jkt h VAL 255 Ca 0.00 -2.25 0.02 0.00 0.82 0.00 0.00 66.70 65.29 2jkt h VAL 255 Cb 0.55 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2jkt h VAL 255 CO 0.00 0.50 -0.19 0.58 0.02 0.00 0.00 177.57 178.47 2jkt h VAL 256 N -0.69 0.54 0.17 2.57 2.07 -1.46 0.25 116.25 119.69 2jkt h VAL 256 Ca -0.33 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2jkt h VAL 256 Cb 1.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2jkt h VAL 256 CO -0.10 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.11 2jkt h LEU 257 N -0.33 -0.88 -1.57 2.57 3.38 -1.16 -0.79 115.31 116.53 2jkt h LEU 257 Ca 0.05 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.26 2jkt h LEU 257 Cb 0.39 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2jkt h LEU 257 CO -0.16 -0.41 0.51 0.28 0.09 0.00 0.00 178.44 178.75 2jkt h SER 258 N -0.57 0.40 0.16 -0.43 0.02 -1.38 0.43 113.55 112.18 2jkt h SER 258 Ca 0.02 0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.77 2jkt h SER 258 Cb 0.57 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.06 2jkt h SER 258 CO -0.15 0.21 -0.88 0.00 -1.14 0.00 0.00 176.83 174.87 2jkt h ALA 259 N 1.64 0.37 -0.63 3.77 0.00 -0.21 -2.74 119.26 121.46 2jkt h ALA 259 Ca 0.37 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2jkt h ALA 259 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2jkt h ALA 259 CO -0.12 0.75 0.18 0.28 0.00 0.00 0.00 179.25 180.34 2jkt h VAL 260 N 0.33 1.25 -0.56 0.00 2.07 0.55 -1.36 116.25 118.53 2jkt h VAL 260 Ca -0.07 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.67 2jkt h VAL 260 Cb 1.50 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2jkt h VAL 260 CO 0.16 0.33 0.18 0.50 0.02 0.00 0.00 177.57 178.76 2jkt h LYS 261 N 0.90 0.34 0.49 1.57 3.64 -0.18 0.99 116.57 124.32 2jkt h LYS 261 Ca 0.20 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jkt h LYS 261 Cb 0.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jkt h LYS 261 CO -0.00 0.22 -0.23 0.28 -2.27 0.00 0.00 179.45 177.45 2jkt h VAL 262 N 0.35 0.00 -1.06 2.00 2.07 -1.20 -3.12 116.25 115.29 2jkt h VAL 262 Ca 0.28 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 68.06 2jkt h VAL 262 Cb 0.35 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 2jkt h VAL 262 CO -0.31 0.00 0.67 -0.07 0.02 0.00 0.00 177.57 177.89 2jkt h LEU 263 N -0.67 0.45 -1.14 2.57 3.38 -1.14 -0.99 115.31 117.77 2jkt h LEU 263 Ca -0.07 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2jkt h LEU 263 Cb 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jkt h LEU 263 CO 0.11 0.06 -0.42 0.24 0.09 0.00 0.00 178.44 178.51 2jkt h MET 264 N 0.38 0.00 0.00 1.13 2.86 -0.79 0.15 114.93 118.67 2jkt h MET 264 Ca 0.62 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.21 2jkt h MET 264 Cb 1.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 2jkt h MET 264 CO -0.33 0.42 -1.35 1.63 1.06 0.00 0.00 176.91 178.34 2jkt n LYS 265 N -3.98 0.62 0.08 1.72 4.76 -0.45 -3.96 118.16 116.95 2jkt n LYS 265 Ca -0.02 0.08 -0.17 0.00 -2.87 0.00 0.00 58.31 55.34 2jkt n LYS 265 Cb 0.46 -1.75 -0.14 0.00 -1.84 0.00 0.00 35.03 31.75 2jkt n LYS 265 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 2jkt h PHE 266 N 0.00 0.49 0.00 2.13 0.05 -1.23 -3.33 116.94 115.04 2jkt h PHE 266 Ca -0.06 -0.35 0.00 0.00 3.82 0.00 0.00 57.97 61.37 2jkt h PHE 266 Cb 1.19 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 39.12 2jkt h PHE 266 CO 0.00 1.34 0.00 1.37 -0.18 0.00 0.00 178.31 180.84 2jkt h LEU 267 N 0.07 0.00 -2.32 1.54 8.10 -0.83 -2.14 115.31 119.73 2jkt h LEU 267 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2jkt h LEU 267 Cb 2.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.22 2jkt h LEU 267 CO 0.18 0.00 0.00 -0.62 -4.11 0.00 0.00 178.44 173.89 2jkt n GLU 268 N -2.62 0.71 -3.65 0.17 -0.58 -1.25 -4.58 120.64 108.83 2jkt n GLU 268 Ca -0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2jkt n GLU 268 Cb 0.16 -1.15 -0.17 0.00 -0.57 0.00 0.00 31.44 29.71 2jkt n GLU 268 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jkt s LEU 269 N 0.00 0.13 0.00 -4.62 1.43 -0.81 -4.99 118.68 109.83 2jkt s LEU 269 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2jkt s LEU 269 Cb 0.00 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.16 2jkt s LEU 269 CO 0.00 -0.27 0.00 -0.11 0.23 0.00 0.00 176.35 176.20 2jkt n LEU 270 N 5.30 -0.91 0.02 1.79 0.00 -1.26 -4.97 117.00 116.96 2jkt n LEU 270 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.85 2jkt n LEU 270 Cb 0.50 -0.46 -0.05 0.00 0.00 0.00 0.00 43.42 43.41 2jkt n LEU 270 CO 0.07 0.00 0.63 -0.65 0.00 0.00 0.00 177.39 177.44 2jkt h PRO 271 N 0.00 -0.42 0.00 1.96 0.11 -1.94 -3.44 132.00 128.27 2jkt h PRO 271 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2jkt h PRO 271 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2jkt h PRO 271 CO 0.00 -0.28 0.00 1.17 -0.21 0.00 0.00 178.00 178.68 2jkt n LYS 272 N -5.42 0.00 0.00 1.05 3.00 -1.26 -5.04 118.16 110.49 2jkt n LYS 272 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2jkt n LYS 272 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 2jkt n LYS 272 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jkt n ASP 273 N 0.00 -0.92 -1.91 3.14 2.03 -1.26 -4.53 116.55 113.10 2jkt n ASP 273 Ca 0.00 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.92 2jkt n ASP 273 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jkt n ASP 273 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jkt n SER 274 N -2.54 -0.97 -0.04 1.67 2.88 -1.26 -4.15 113.62 109.21 2jkt n SER 274 Ca 0.00 0.88 0.18 0.00 -1.33 0.00 0.00 58.87 58.60 2jkt n SER 274 Cb 0.00 -1.34 0.28 0.00 -0.75 0.00 0.00 64.21 62.40 2jkt n SER 274 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jkt n ASP 275 N 2.00 0.00 -0.18 -3.46 8.00 -1.26 -1.45 116.55 120.21 2jkt n ASP 275 Ca 0.00 0.64 -0.01 0.00 0.71 0.00 0.00 54.79 56.14 2jkt n ASP 275 Cb 0.00 -0.17 0.09 0.00 -0.02 0.00 0.00 41.12 41.02 2jkt n ASP 275 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2jkt h TYR 276 N 0.00 0.17 -0.09 1.24 3.20 -1.93 1.11 116.97 120.67 2jkt h TYR 276 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2jkt h TYR 276 Cb 2.51 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.79 2jkt h TYR 276 CO 0.00 -0.03 0.05 -0.92 -1.64 0.00 0.00 178.16 175.62 2jkt h TYR 277 N 0.24 0.09 -0.17 -3.82 3.20 -1.41 0.84 116.97 115.94 2jkt h TYR 277 Ca 0.29 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.21 2jkt h TYR 277 Cb 0.41 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2jkt h TYR 277 CO -0.25 0.05 0.24 -0.91 -1.64 0.00 0.00 178.16 175.66 2jkt h ASN 278 N 0.10 0.00 0.00 -2.11 2.35 -1.04 -2.67 115.58 112.21 2jkt h ASN 278 Ca 0.03 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.42 2jkt h ASN 278 Cb -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2jkt h ASN 278 CO -0.02 0.00 -1.99 0.80 -1.65 0.00 0.00 177.43 174.57 2jkt n MET 279 N -3.56 0.58 0.13 0.81 0.00 0.36 -3.30 117.12 112.13 2jkt n MET 279 Ca 0.01 0.40 0.19 0.00 -0.00 0.00 0.00 57.70 58.30 2jkt n MET 279 Cb 0.35 -1.60 0.77 0.00 0.00 0.00 0.00 33.22 32.75 2jkt n MET 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2jkt h LEU 280 N -1.00 0.00 -0.13 -0.89 5.85 0.63 0.64 115.31 120.40 2jkt h LEU 280 Ca -0.55 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 2jkt h LEU 280 Cb 1.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 2jkt h LEU 280 CO -0.33 0.00 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.51 2jkt h LEU 281 N 0.00 0.39 -0.66 2.25 3.38 -1.61 -2.54 115.31 116.52 2jkt h LEU 281 Ca 0.16 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2jkt h LEU 281 Cb 0.84 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2jkt h LEU 281 CO -0.00 0.83 -0.15 0.11 0.09 0.00 0.00 178.44 179.32 2jkt h LYS 282 N -0.03 0.00 -0.15 1.13 1.57 -0.84 -3.04 116.57 115.20 2jkt h LYS 282 Ca 0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2jkt h LYS 282 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2jkt h LYS 282 CO 0.04 0.15 -0.59 0.87 -0.57 0.00 0.00 179.45 179.36 2jkt h LYS 283 N 0.00 0.50 0.00 3.15 1.57 0.18 -3.31 116.57 118.66 2jkt h LYS 283 Ca -0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2jkt h LYS 283 Cb 0.88 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2jkt h LYS 283 CO 0.02 0.94 0.00 -0.07 -0.57 0.00 0.00 179.45 179.77 2jkt h LEU 284 N 0.38 0.00 0.65 2.94 3.38 -1.33 -3.37 115.31 117.96 2jkt h LEU 284 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jkt h LEU 284 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.89 2jkt h LEU 284 CO 0.11 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.32 2jkt h ALA 285 N 2.04 -0.96 -0.95 1.53 0.00 -1.67 -3.27 119.26 115.99 2jkt h ALA 285 Ca 0.00 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.95 2jkt h ALA 285 Cb 0.65 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 2jkt h ALA 285 CO 0.00 -0.89 0.49 -1.35 0.00 0.00 0.00 179.25 177.50 2jkt h PRO 286 N -1.12 0.46 -0.28 0.00 0.11 -1.80 -1.04 132.00 128.32 2jkt h PRO 286 Ca -0.09 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.85 2jkt h PRO 286 Cb 0.67 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 2jkt h PRO 286 CO 0.15 0.30 -0.39 -1.35 -0.21 0.00 0.00 178.00 176.50 2jkt h PRO 287 N 0.47 0.77 -0.00 1.05 0.11 -1.78 -1.16 132.00 131.47 2jkt h PRO 287 Ca 0.61 -0.45 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2jkt h PRO 287 Cb 1.16 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jkt h PRO 287 CO -0.51 1.08 -0.37 1.47 -0.21 0.00 0.00 178.00 179.46 2jkt n LEU 288 N -4.16 0.56 -0.04 2.35 -0.00 -1.16 -2.67 117.00 111.88 2jkt n LEU 288 Ca -0.04 -0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.83 2jkt n LEU 288 Cb 0.54 -0.24 -0.09 0.00 -0.00 0.00 0.00 43.42 43.63 2jkt n LEU 288 CO 0.47 0.12 0.60 0.58 -0.00 0.00 0.00 177.39 179.16 2jkt h VAL 289 N 0.30 1.39 0.00 1.47 2.07 -1.02 -3.09 116.25 117.37 2jkt h VAL 289 Ca 0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2jkt h VAL 289 Cb 0.49 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2jkt h VAL 289 CO 0.00 0.36 0.00 0.35 0.02 0.00 0.00 177.57 178.30 2jkt n THR 290 N -4.67 0.00 0.47 2.57 -2.24 -0.45 -1.69 114.28 108.26 2jkt n THR 290 Ca -0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 2jkt n THR 290 Cb 0.33 -0.10 0.18 0.00 -2.10 0.00 0.00 70.33 68.64 2jkt n THR 290 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jkt h LEU 291 N 0.00 0.00 -0.25 3.22 5.85 -1.42 -3.22 115.31 119.49 2jkt h LEU 291 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jkt h LEU 291 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jkt h LEU 291 CO 0.00 0.06 0.00 0.18 -0.34 0.00 0.00 178.44 178.34 2jkt n LEU 292 N -2.33 0.38 -0.96 2.25 4.77 -0.68 -3.39 117.00 117.05 2jkt n LEU 292 Ca 0.03 -0.13 0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2jkt n LEU 292 Cb 0.47 -0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.78 2jkt n LEU 292 CO 0.36 0.07 0.69 -1.20 -1.33 0.00 0.00 177.39 175.98 2jkt n SER 293 N -0.68 3.38 -1.67 -1.43 7.64 -1.22 -4.89 113.62 114.75 2jkt n SER 293 Ca 0.22 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.11 2jkt n SER 293 Cb 0.17 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2jkt n SER 293 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jkt n GLY 294 N 1.04 0.45 3.76 0.23 0.00 -1.22 -5.08 105.19 104.37 2jkt n GLY 294 Ca 0.17 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2jkt n GLY 294 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkt s GLU 295 N 0.88 1.82 0.28 1.61 0.41 -1.26 -4.70 118.70 117.75 2jkt s GLU 295 Ca 0.00 0.81 -0.03 0.00 -0.41 0.00 0.00 54.97 55.34 2jkt s GLU 295 Cb 0.00 -1.87 0.41 0.00 -1.78 0.00 0.00 34.13 30.88 2jkt s GLU 295 CO 0.00 -1.85 1.94 -1.35 -0.49 0.00 0.00 175.26 173.51 2jkt h PRO 296 N -1.26 1.14 -0.93 0.39 0.11 -1.97 -0.58 132.00 128.89 2jkt h PRO 296 Ca -0.47 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.58 2jkt h PRO 296 Cb 1.27 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2jkt h PRO 296 CO 0.56 0.76 0.62 0.93 -0.21 0.00 0.00 178.00 180.66 2jkt h GLU 297 N 1.18 1.23 0.00 1.05 3.07 -2.00 -2.58 114.58 116.52 2jkt h GLU 297 Ca 0.35 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.97 2jkt h GLU 297 Cb -0.05 -0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 27.56 2jkt h GLU 297 CO -0.09 0.81 -0.91 0.28 -1.40 0.00 0.00 179.01 177.70 2jkt h VAL 298 N 1.27 1.15 -0.22 3.13 2.07 -1.66 -2.77 116.25 119.21 2jkt h VAL 298 Ca 0.34 -2.71 0.01 0.00 0.82 0.00 0.00 66.70 65.17 2jkt h VAL 298 Cb -0.15 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2jkt h VAL 298 CO -0.07 0.66 0.11 1.56 0.02 0.00 0.00 177.57 179.84 2jkt h GLN 299 N 0.00 0.23 0.08 1.57 4.20 -1.07 -2.00 115.11 118.11 2jkt h GLN 299 Ca -0.05 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2jkt h GLN 299 Cb 1.61 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.29 2jkt h GLN 299 CO 0.09 0.15 -0.45 -0.92 -0.67 0.00 0.00 178.83 177.03 2jkt h TYR 300 N 0.24 -1.30 -0.56 2.96 3.20 -1.33 0.11 116.97 120.30 2jkt h TYR 300 Ca 0.09 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.06 2jkt h TYR 300 Cb 0.02 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2jkt h TYR 300 CO -0.09 -0.54 0.37 0.28 -1.64 0.00 0.00 178.16 176.54 2jkt h VAL 301 N -0.66 0.96 -0.27 1.81 2.07 -1.42 0.94 116.25 119.69 2jkt h VAL 301 Ca 0.02 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2jkt h VAL 301 Cb 0.70 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2jkt h VAL 301 CO -0.29 0.09 -0.15 0.00 0.02 0.00 0.00 177.57 177.25 2jkt h ALA 302 N 1.70 0.38 0.53 1.67 0.00 -0.83 -3.05 119.26 119.66 2jkt h ALA 302 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jkt h ALA 302 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jkt h ALA 302 CO -0.07 0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 179.07 2jkt h LEU 303 N 0.31 -0.79 -1.83 0.00 3.38 0.15 0.14 115.31 116.68 2jkt h LEU 303 Ca 0.06 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.28 2jkt h LEU 303 Cb 0.66 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2jkt h LEU 303 CO 0.04 -0.50 0.67 0.03 0.09 0.00 0.00 178.44 178.77 2jkt h ARG 304 N -0.80 0.00 0.00 1.13 2.47 -1.15 0.43 114.38 116.46 2jkt h ARG 304 Ca -0.06 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.41 2jkt h ARG 304 Cb 0.65 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 2jkt h ARG 304 CO 0.07 0.00 -1.57 -0.91 0.56 0.00 0.00 179.97 178.12 2jkt h ASN 305 N 0.00 0.00 0.36 7.04 4.21 -1.19 -3.30 115.58 122.71 2jkt h ASN 305 Ca 0.33 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.64 2jkt h ASN 305 Cb 1.66 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.86 2jkt h ASN 305 CO -0.00 0.85 -0.83 0.40 -1.29 0.00 0.00 177.43 176.56 2jkt h ILE 306 N 0.00 1.41 -0.69 2.81 1.08 0.88 -1.06 117.51 121.95 2jkt h ILE 306 Ca -0.23 -2.35 0.13 0.00 -0.39 0.00 0.00 64.86 62.02 2jkt h ILE 306 Cb 1.85 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 37.85 2jkt h ILE 306 CO 0.07 0.70 0.46 -1.13 -0.69 0.00 0.00 178.15 177.56 2jkt h ASN 307 N 0.22 0.38 0.11 1.72 -1.24 -1.12 -0.02 115.58 115.63 2jkt h ASN 307 Ca -0.05 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 2jkt h ASN 307 Cb 1.44 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2jkt h ASN 307 CO 0.14 0.21 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.37 2jkt h LEU 308 N 0.42 -0.12 -0.40 0.34 3.38 -1.60 -3.35 115.31 113.98 2jkt h LEU 308 Ca 0.33 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2jkt h LEU 308 Cb 0.71 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2jkt h LEU 308 CO -0.10 0.50 0.12 0.40 0.09 0.00 0.00 178.44 179.44 2jkt h ILE 309 N -0.95 0.84 0.00 1.22 2.04 -0.39 -0.87 117.51 119.40 2jkt h ILE 309 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jkt h ILE 309 Cb 0.48 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2jkt h ILE 309 CO 0.02 0.05 0.00 1.33 0.00 0.00 0.00 178.15 179.55 2jkt n VAL 310 N -5.05 0.81 0.22 1.67 0.24 -0.10 -0.22 118.33 115.90 2jkt n VAL 310 Ca 0.02 0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2jkt n VAL 310 Cb 0.16 -1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 31.40 2jkt n VAL 310 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2jkt h GLN 311 N 0.00 -0.58 0.07 7.34 4.20 -1.30 -3.04 115.11 121.80 2jkt h GLN 311 Ca 0.00 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jkt h GLN 311 Cb 0.39 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2jkt h GLN 311 CO 0.00 -0.30 -0.03 -0.22 -0.67 0.00 0.00 178.83 177.60 2jkt h LYS 312 N -1.06 -0.09 -3.05 1.46 1.63 -1.04 -3.37 116.57 111.06 2jkt h LYS 312 Ca -0.06 0.01 -0.62 0.00 -0.85 0.00 0.00 60.65 59.12 2jkt h LYS 312 Cb 0.55 0.02 -0.41 0.00 -0.60 0.00 0.00 32.23 31.79 2jkt h LYS 312 CO 0.10 0.20 -0.68 1.03 -3.45 0.00 0.00 179.45 176.66 2jkt s ARG 313 N -5.01 1.87 0.32 1.90 1.81 0.69 -4.96 118.95 115.57 2jkt s ARG 313 Ca -0.15 -2.69 0.06 0.00 -1.72 0.00 0.00 55.73 51.24 2jkt s ARG 313 Cb 0.03 -2.89 0.73 0.00 -0.45 0.00 0.00 34.95 32.37 2jkt s ARG 313 CO 0.65 -1.22 1.83 -1.35 -0.68 0.00 0.00 175.30 174.52 2jkt h PRO 314 N 6.03 0.77 -0.35 3.54 0.11 -1.70 -3.09 132.00 137.31 2jkt h PRO 314 Ca 0.07 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.23 2jkt h PRO 314 Cb 0.85 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2jkt h PRO 314 CO 0.61 0.51 0.43 0.93 -0.21 0.00 0.00 178.00 180.27 2jkt h GLU 315 N 0.80 0.00 -0.01 1.05 3.07 -1.93 -3.05 114.58 114.51 2jkt h GLU 315 Ca 0.51 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.30 2jkt h GLU 315 Cb 0.74 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2jkt h GLU 315 CO -0.28 0.00 -0.26 0.82 -1.40 0.00 0.00 179.01 177.89 2jkt h ILE 316 N 0.00 1.53 -0.93 3.13 2.04 -1.83 -3.32 117.51 118.13 2jkt h ILE 316 Ca 0.17 -1.91 -0.64 0.00 1.00 0.00 0.00 64.86 63.47 2jkt h ILE 316 Cb 1.02 2.71 -0.33 0.00 -0.74 0.00 0.00 36.82 39.47 2jkt h ILE 316 CO -0.00 0.53 0.37 0.18 0.00 0.00 0.00 178.15 179.22 2jkt n LEU 317 N -4.50 6.88 0.25 1.44 4.77 -1.15 -4.64 117.00 120.05 2jkt n LEU 317 Ca -0.10 -4.43 -0.10 0.00 -0.03 0.00 0.00 56.01 51.35 2jkt n LEU 317 Cb 0.50 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2jkt n LEU 317 CO 0.39 1.66 0.31 0.50 -1.33 0.00 0.00 177.39 178.92 2jkt h LYS 318 N 2.06 -0.66 0.00 3.23 1.63 -1.66 -3.25 116.57 117.92 2jkt h LYS 318 Ca 0.54 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 2jkt h LYS 318 Cb 1.03 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2jkt h LYS 318 CO 1.35 -0.44 0.00 1.96 -3.45 0.00 0.00 179.45 178.87 2jkt h GLN 319 N -1.05 0.00 -0.04 1.90 1.08 -1.89 -3.32 115.11 111.80 2jkt h GLN 319 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2jkt h GLN 319 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2jkt h GLN 319 CO 0.11 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.38 2jkt n GLU 320 N -2.35 1.06 -0.32 1.46 -0.58 -1.22 -4.36 120.64 114.32 2jkt n GLU 320 Ca 0.01 -0.09 0.10 0.00 -0.42 0.00 0.00 57.16 56.76 2jkt n GLU 320 Cb 0.20 -1.03 0.27 0.00 -0.57 0.00 0.00 31.44 30.30 2jkt n GLU 320 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2jkt h ILE 321 N 0.15 0.69 -0.97 -3.67 2.10 -1.76 -1.40 117.51 112.64 2jkt h ILE 321 Ca 0.00 -0.22 0.27 0.00 1.08 0.00 0.00 64.86 65.99 2jkt h ILE 321 Cb 0.04 -0.01 -0.05 0.00 -1.09 0.00 0.00 36.82 35.71 2jkt h ILE 321 CO 0.00 0.12 0.68 0.11 -1.08 0.00 0.00 178.15 177.98 2jkt h LYS 322 N 0.65 0.11 -0.64 2.19 6.56 -1.94 0.91 116.57 124.41 2jkt h LYS 322 Ca 0.51 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 60.08 2jkt h LYS 322 Cb 0.78 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.39 2jkt h LYS 322 CO -0.39 0.08 0.32 0.28 -2.06 0.00 0.00 179.45 177.68 2jkt h VAL 323 N 0.12 1.20 -0.10 0.50 2.07 -1.61 -2.77 116.25 115.66 2jkt h VAL 323 Ca 0.48 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jkt h VAL 323 Cb 1.71 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jkt h VAL 323 CO -0.07 0.23 0.00 0.49 0.02 0.00 0.00 177.57 178.24 2jkt n PHE 324 N -4.36 0.13 -1.59 1.57 3.01 0.31 -4.89 117.46 111.65 2jkt n PHE 324 Ca 0.06 -0.07 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 2jkt n PHE 324 Cb 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.67 2jkt n PHE 324 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2jkt s PHE 325 N -1.87 2.11 0.06 1.38 0.08 -1.05 -4.57 117.98 114.13 2jkt s PHE 325 Ca 0.30 1.56 -0.26 0.00 0.12 0.00 0.00 56.93 58.65 2jkt s PHE 325 Cb 0.15 -3.52 -0.06 0.00 -0.57 0.00 0.00 43.02 39.03 2jkt s PHE 325 CO 0.24 -2.60 0.80 0.08 -0.10 0.00 0.00 175.22 173.63 2jkt s VAL 326 N -1.81 4.67 -0.22 -0.44 1.01 -1.26 -5.05 120.40 117.31 2jkt s VAL 326 Ca 0.76 1.71 -0.10 0.00 0.00 0.00 0.00 61.98 64.35 2jkt s VAL 326 Cb -0.31 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2jkt s VAL 326 CO 0.42 0.37 0.14 -0.54 0.00 0.00 0.00 175.10 175.48 2jkt s LYS 327 N -0.11 4.10 0.66 2.72 1.02 -1.26 -4.98 119.74 121.89 2jkt s LYS 327 Ca 0.40 -0.26 0.11 0.00 0.02 0.00 0.00 55.97 56.24 2jkt s LYS 327 Cb -0.21 -3.46 0.62 0.00 -0.52 0.00 0.00 37.83 34.26 2jkt s LYS 327 CO 0.24 0.17 1.35 0.10 -0.92 0.00 0.00 175.35 176.29 2jkt h TYR 328 N 7.13 0.00 -0.01 3.18 -0.00 -2.04 0.10 116.97 125.34 2jkt h TYR 328 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.34 2jkt h TYR 328 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 2jkt h TYR 328 CO 0.63 0.00 -0.00 0.27 -0.00 0.00 0.00 178.16 179.05 2jkt n ASN 329 N -2.65 1.56 -4.66 0.10 0.23 -1.26 -5.00 115.26 103.59 2jkt n ASN 329 Ca -0.01 -1.28 -0.45 0.00 -0.53 0.00 0.00 54.58 52.32 2jkt n ASN 329 Cb 0.76 0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.45 2jkt n ASN 329 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2jkt n ASP 330 N 0.38 2.47 -4.69 0.53 10.43 0.35 -4.89 116.55 121.13 2jkt n ASP 330 Ca 0.04 1.16 -0.40 0.00 2.57 0.00 0.00 54.79 58.16 2jkt n ASP 330 Cb 0.17 -1.41 0.03 0.00 1.84 0.00 0.00 41.12 41.75 2jkt n ASP 330 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 2jkt n PRO 331 N 1.54 1.63 -0.34 -0.24 -0.04 -1.26 -4.65 135.00 131.64 2jkt n PRO 331 Ca 0.10 0.59 0.21 0.00 -0.04 0.00 0.00 63.50 64.36 2jkt n PRO 331 Cb 0.32 -2.37 0.44 0.00 -0.04 0.00 0.00 33.50 31.85 2jkt n PRO 331 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2jkt h ILE 332 N 1.57 0.42 0.00 0.52 6.09 -1.99 0.28 117.51 124.40 2jkt h ILE 332 Ca -0.48 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 62.84 2jkt h ILE 332 Cb 1.31 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.54 2jkt h ILE 332 CO 0.57 0.08 -0.05 0.10 -3.07 0.00 0.00 178.15 175.78 2jkt h TYR 333 N 0.44 0.00 0.15 2.19 -0.00 -1.99 -0.44 116.97 117.32 2jkt h TYR 333 Ca 0.69 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 59.12 2jkt h TYR 333 Cb 1.48 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.22 2jkt h TYR 333 CO -0.01 0.05 -1.36 0.28 -0.00 0.00 0.00 178.16 177.13 2jkt h VAL 334 N 0.00 1.38 -0.35 -0.90 2.07 -0.81 -3.03 116.25 114.60 2jkt h VAL 334 Ca -0.00 -2.93 0.03 0.00 0.82 0.00 0.00 66.70 64.62 2jkt h VAL 334 Cb 0.69 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.35 2jkt h VAL 334 CO 0.01 0.86 0.16 0.11 0.02 0.00 0.00 177.57 178.73 2jkt h LYS 335 N 0.09 0.33 -0.48 1.57 1.57 -0.68 0.52 116.57 119.48 2jkt h LYS 335 Ca -0.18 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2jkt h LYS 335 Cb 2.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 2jkt h LYS 335 CO 0.21 0.22 0.24 -0.07 -0.57 0.00 0.00 179.45 179.47 2jkt h LEU 336 N 0.34 0.63 -0.77 2.94 3.38 -1.22 -1.06 115.31 119.56 2jkt h LEU 336 Ca 0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2jkt h LEU 336 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jkt h LEU 336 CO -0.12 0.57 -0.26 -0.33 0.09 0.00 0.00 178.44 178.39 2jkt h GLU 337 N 0.64 0.00 -0.13 1.13 4.39 -1.35 -2.86 114.58 116.41 2jkt h GLU 337 Ca 0.17 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.69 2jkt h GLU 337 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2jkt h GLU 337 CO -0.02 0.26 -0.62 0.87 -1.16 0.00 0.00 179.01 178.34 2jkt h LYS 338 N 0.00 0.65 -0.35 2.33 1.79 -0.53 -3.03 116.57 117.43 2jkt h LYS 338 Ca -0.00 -0.53 -0.01 0.00 -2.18 0.00 0.00 60.65 57.93 2jkt h LYS 338 Cb 0.91 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 2jkt h LYS 338 CO 0.03 1.15 0.20 1.25 -1.08 0.00 0.00 179.45 181.00 2jkt h LEU 339 N 0.31 0.43 -2.24 2.94 5.85 -1.04 -1.18 115.31 120.39 2jkt h LEU 339 Ca -0.04 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2jkt h LEU 339 Cb 1.26 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jkt h LEU 339 CO 0.13 0.39 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.78 2jkt h ASP 340 N 0.45 0.00 0.44 1.25 3.58 -1.56 -1.90 116.42 118.68 2jkt h ASP 340 Ca 0.12 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.27 2jkt h ASP 340 Cb 0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2jkt h ASP 340 CO -0.02 0.05 -1.62 0.40 -2.88 0.00 0.00 179.24 175.17 2jkt h ILE 341 N 0.00 1.02 -0.23 2.25 2.04 -1.26 -2.93 117.51 118.40 2jkt h ILE 341 Ca -0.00 -2.73 0.02 0.00 1.00 0.00 0.00 64.86 63.15 2jkt h ILE 341 Cb 0.17 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2jkt h ILE 341 CO 0.01 0.76 0.08 0.24 0.00 0.00 0.00 178.15 179.24 2jkt h MET 342 N 0.05 0.19 -0.64 2.37 2.86 -0.72 -0.83 114.93 118.21 2jkt h MET 342 Ca -0.27 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.49 2jkt h MET 342 Cb 2.00 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.53 2jkt h MET 342 CO 0.13 0.12 0.12 0.82 1.06 0.00 0.00 176.91 179.16 2jkt h ILE 343 N 0.19 0.58 0.00 -1.22 1.08 -1.45 0.26 117.51 116.95 2jkt h ILE 343 Ca 0.10 -0.08 -0.07 0.00 -0.39 0.00 0.00 64.86 64.42 2jkt h ILE 343 Cb 0.07 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 2jkt h ILE 343 CO -0.10 0.04 -0.33 0.03 -0.69 0.00 0.00 178.15 177.10 2jkt h ARG 344 N 0.23 0.00 -0.01 2.37 2.47 -1.04 -2.35 114.38 116.07 2jkt h ARG 344 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2jkt h ARG 344 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2jkt h ARG 344 CO -0.45 0.33 -0.71 1.28 0.56 0.00 0.00 179.97 180.97 2jkt n LEU 345 N -4.11 1.27 -4.44 3.04 4.77 -0.44 -4.92 117.00 112.18 2jkt n LEU 345 Ca -0.02 -0.50 -0.50 0.00 -0.03 0.00 0.00 56.01 54.96 2jkt n LEU 345 Cb 0.37 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 2jkt n LEU 345 CO 0.38 0.27 1.85 0.00 -1.33 0.00 0.00 177.39 178.56 2jkt n ALA 346 N -0.95 0.92 -2.68 -1.18 0.00 0.86 -4.88 120.51 112.60 2jkt n ALA 346 Ca 0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2jkt n ALA 346 Cb 0.38 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2jkt n ALA 346 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jkt s SER 347 N 7.70 6.41 0.00 0.00 0.15 -1.26 -4.78 113.70 121.91 2jkt s SER 347 Ca 1.12 0.51 0.01 0.00 0.70 0.00 0.00 55.95 58.29 2jkt s SER 347 Cb -0.90 -2.06 0.04 0.00 -1.71 0.00 0.00 66.02 61.39 2jkt s SER 347 CO 0.49 -0.10 0.33 0.00 1.20 0.00 0.00 173.24 175.15 2jkt n GLN 348 N -0.79 0.03 -2.66 5.44 0.00 -1.26 -2.25 117.38 115.90 2jkt n GLN 348 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.87 2jkt n GLN 348 Cb 0.54 -1.28 0.03 0.00 0.00 0.00 0.00 30.24 29.53 2jkt n GLN 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jkt n ALA 349 N -0.78 3.45 -0.08 2.61 0.00 -1.26 -4.81 120.51 119.64 2jkt n ALA 349 Ca 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.26 2jkt n ALA 349 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2jkt n ALA 349 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jkt n ASN 350 N -0.20 0.00 -0.04 0.00 6.94 -0.95 -4.96 115.26 116.05 2jkt n ASN 350 Ca 0.12 -0.04 0.14 0.00 -0.02 0.00 0.00 54.58 54.78 2jkt n ASN 350 Cb 0.81 0.00 0.57 0.00 -2.36 0.00 0.00 39.78 38.79 2jkt n ASN 350 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2jkt h ILE 351 N 0.04 0.85 -0.63 1.53 5.03 -1.85 0.88 117.51 123.35 2jkt h ILE 351 Ca 0.00 -0.09 0.12 0.00 -0.12 0.00 0.00 64.86 64.77 2jkt h ILE 351 Cb 0.02 0.56 -0.12 0.00 -3.03 0.00 0.00 36.82 34.25 2jkt h ILE 351 CO 0.00 0.05 -0.22 0.00 -0.68 0.00 0.00 178.15 177.29 2jkt h ALA 352 N 1.72 0.27 -0.28 1.87 0.00 -1.93 0.96 119.26 121.88 2jkt h ALA 352 Ca 0.26 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 2jkt h ALA 352 Cb 0.67 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jkt h ALA 352 CO -0.05 -0.51 -0.18 1.96 0.00 0.00 0.00 179.25 180.46 2jkt h GLN 353 N -0.06 0.62 0.55 0.00 1.08 -1.31 -3.11 115.11 112.88 2jkt h GLN 353 Ca 0.29 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2jkt h GLN 353 Cb 0.51 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2jkt h GLN 353 CO -0.68 0.88 -0.26 0.28 -0.95 0.00 0.00 178.83 178.10 2jkt h VAL 354 N 0.36 0.43 -0.39 -0.54 2.07 0.12 -2.71 116.25 115.59 2jkt h VAL 354 Ca 0.06 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2jkt h VAL 354 Cb 0.72 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 2jkt h VAL 354 CO 0.05 0.03 -0.15 -0.07 0.02 0.00 0.00 177.57 177.44 2jkt h LEU 355 N -0.85 -0.54 -0.91 2.57 3.38 0.79 0.16 115.31 119.91 2jkt h LEU 355 Ca -0.08 0.14 0.24 0.00 0.09 0.00 0.00 57.88 58.27 2jkt h LEU 355 Cb 0.61 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2jkt h LEU 355 CO 0.12 -0.19 0.37 0.00 0.09 0.00 0.00 178.44 178.83 2jkt h ALA 356 N 1.25 1.46 -0.35 1.53 0.00 -1.49 0.51 119.26 122.17 2jkt h ALA 356 Ca 0.19 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2jkt h ALA 356 Cb 0.37 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jkt h ALA 356 CO -0.44 -0.42 -0.04 1.49 0.00 0.00 0.00 179.25 179.84 2jkt h GLU 357 N 0.32 0.64 -0.47 0.00 4.57 -0.42 -2.31 114.58 116.92 2jkt h GLU 357 Ca 0.58 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.46 2jkt h GLU 357 Cb 1.17 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2jkt h GLU 357 CO -0.58 0.78 -0.02 -0.07 -1.18 0.00 0.00 179.01 177.93 2jkt h LEU 358 N 0.44 0.82 -0.78 1.64 3.38 0.43 -1.94 115.31 119.31 2jkt h LEU 358 Ca 0.09 -0.32 0.18 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 358 Cb 0.51 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 40.91 2jkt h LEU 358 CO 0.02 0.94 0.12 0.50 0.09 0.00 0.00 178.44 180.12 2jkt h LYS 359 N 0.68 0.18 0.37 1.13 1.63 0.03 -1.35 116.57 119.24 2jkt h LYS 359 Ca 0.13 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2jkt h LYS 359 Cb 0.54 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2jkt h LYS 359 CO 0.03 0.12 -0.18 1.49 -3.45 0.00 0.00 179.45 177.46 2jkt h GLU 360 N 0.18 -0.48 -1.00 1.90 4.22 -0.96 -2.75 114.58 115.68 2jkt h GLU 360 Ca 0.45 0.03 0.21 0.00 0.08 0.00 0.00 59.36 60.13 2jkt h GLU 360 Cb 0.82 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 2jkt h GLU 360 CO -0.61 -0.23 0.61 1.88 -2.18 0.00 0.00 179.01 178.49 2jkt h TYR 361 N -0.67 0.99 0.00 0.92 0.05 -0.52 0.47 116.97 118.21 2jkt h TYR 361 Ca -0.05 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 2jkt h TYR 361 Cb 0.48 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 2jkt h TYR 361 CO -0.01 0.17 -0.44 0.00 -1.05 0.00 0.00 178.16 176.83 2jkt h ALA 362 N 1.67 1.24 0.00 3.88 0.00 -1.23 -2.86 119.26 121.96 2jkt h ALA 362 Ca 0.59 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jkt h ALA 362 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jkt h ALA 362 CO -0.39 0.54 -0.24 1.15 0.00 0.00 0.00 179.25 180.31 2jkt h THR 363 N 0.00 0.88 -1.03 0.00 2.02 0.24 -3.46 112.91 111.56 2jkt h THR 363 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2jkt h THR 363 Cb 0.79 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2jkt h THR 363 CO 0.06 0.24 0.00 -0.62 0.37 0.00 0.00 175.52 175.56 2jkt n GLU 364 N -3.83 1.18 -0.00 6.66 -0.58 -0.99 -5.05 120.64 118.02 2jkt n GLU 364 Ca -0.02 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.76 2jkt n GLU 364 Cb 0.33 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.16 2jkt n GLU 364 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jkt n VAL 365 N 0.00 0.00 -2.39 2.62 0.31 -1.26 -4.80 118.33 112.81 2jkt n VAL 365 Ca 0.00 -0.25 -0.36 0.00 -0.01 0.00 0.00 64.34 63.72 2jkt n VAL 365 Cb 0.00 0.66 -0.04 0.00 -0.91 0.00 0.00 33.84 33.56 2jkt n VAL 365 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jkt s ASP 366 N -2.21 6.05 0.13 4.52 -1.08 -1.26 -4.85 116.67 117.97 2jkt s ASP 366 Ca -0.00 -1.22 -0.28 0.00 -0.52 0.00 0.00 52.55 50.53 2jkt s ASP 366 Cb 0.05 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.89 2jkt s ASP 366 CO 0.27 -1.92 1.60 0.58 0.52 0.00 0.00 175.17 176.23 2jkt h VAL 367 N 6.92 0.24 0.00 1.11 2.07 -1.96 0.07 116.25 124.69 2jkt h VAL 367 Ca 0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2jkt h VAL 367 Cb 1.00 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jkt h VAL 367 CO 1.36 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 179.38 2jkt h ASP 368 N -0.49 0.00 0.62 0.57 3.32 -2.00 0.22 116.42 118.66 2jkt h ASP 368 Ca 0.07 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 2jkt h ASP 368 Cb 0.59 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2jkt h ASP 368 CO -0.32 0.01 -1.51 0.33 -1.72 0.00 0.00 179.24 176.03 2jkt n PHE 369 N -3.30 0.96 -0.36 4.55 7.35 -0.42 -3.66 117.46 122.57 2jkt n PHE 369 Ca -0.03 0.33 -0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2jkt n PHE 369 Cb 0.10 -1.10 0.13 0.00 0.35 0.00 0.00 39.48 38.96 2jkt n PHE 369 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2jkt h VAL 370 N 0.00 1.17 -0.41 -2.13 2.07 0.13 0.02 116.25 117.09 2jkt h VAL 370 Ca -0.20 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2jkt h VAL 370 Cb 1.70 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2jkt h VAL 370 CO 0.05 0.22 0.15 0.03 0.02 0.00 0.00 177.57 178.05 2jkt h ARG 371 N 1.22 0.63 0.00 1.57 3.08 -1.60 -2.51 114.38 116.77 2jkt h ARG 371 Ca 0.39 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 2jkt h ARG 371 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2jkt h ARG 371 CO -0.12 0.60 -0.09 0.87 -1.07 0.00 0.00 179.97 180.16 2jkt h LYS 372 N 0.52 0.00 -0.01 0.04 6.56 -1.47 -2.92 116.57 119.29 2jkt h LYS 372 Ca 0.14 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.50 2jkt h LYS 372 Cb 0.22 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.90 2jkt h LYS 372 CO -0.01 0.09 -0.89 0.00 -2.06 0.00 0.00 179.45 176.59 2jkt h ALA 373 N 1.91 0.13 0.00 3.86 0.00 -0.59 -3.18 119.26 121.38 2jkt h ALA 373 Ca -0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 2jkt h ALA 373 Cb 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jkt h ALA 373 CO 0.01 0.58 -1.00 -0.39 0.00 0.00 0.00 179.25 178.45 2jkt h VAL 374 N 0.26 1.45 -0.47 0.00 -1.51 -1.33 -2.97 116.25 111.68 2jkt h VAL 374 Ca -0.11 -3.11 0.04 0.00 -1.23 0.00 0.00 66.70 62.29 2jkt h VAL 374 Cb 1.56 2.71 -0.03 0.00 -2.13 0.00 0.00 31.29 33.40 2jkt h VAL 374 CO 0.18 0.83 0.31 0.03 -1.23 0.00 0.00 177.57 177.69 2jkt h ARG 375 N 0.00 0.49 -0.74 5.19 3.08 -1.63 -1.92 114.38 118.85 2jkt h ARG 375 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2jkt h ARG 375 Cb 1.73 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 2jkt h ARG 375 CO 0.11 0.32 0.39 0.00 -1.07 0.00 0.00 179.97 179.72 2jkt h ALA 376 N 1.73 0.95 -0.65 0.04 0.00 -1.50 -0.41 119.26 119.42 2jkt h ALA 376 Ca 0.19 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2jkt h ALA 376 Cb 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2jkt h ALA 376 CO -0.05 0.48 0.43 0.82 0.00 0.00 0.00 179.25 180.93 2jkt h ILE 377 N 1.02 1.04 0.12 0.00 2.04 -1.30 0.33 117.51 120.76 2jkt h ILE 377 Ca 0.26 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jkt h ILE 377 Cb 0.07 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2jkt h ILE 377 CO -0.04 0.13 -0.06 1.23 0.00 0.00 0.00 178.15 179.41 2jkt h GLY 378 N 0.70 -0.16 2.00 5.37 0.00 -1.25 -2.75 103.07 106.98 2jkt h GLY 378 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2jkt h GLY 378 CO -0.08 -0.06 0.00 -0.09 0.00 0.00 0.00 176.54 176.31 2jkt h ARG 379 N -0.52 0.00 0.08 4.80 9.65 0.33 0.62 114.38 129.33 2jkt h ARG 379 Ca -0.02 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.61 2jkt h ARG 379 Cb 0.42 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2jkt h ARG 379 CO 0.03 0.00 -1.13 0.00 2.80 0.00 0.00 179.97 181.67 2jkt h ALA 381 N 0.66 0.59 -0.01 0.00 0.00 -0.63 0.39 119.26 120.27 2jkt h ALA 381 Ca -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jkt h ALA 381 Cb 1.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2jkt h ALA 381 CO 0.19 0.68 0.01 0.82 0.00 0.00 0.00 179.25 180.94 2jkt h ILE 382 N 0.56 1.06 0.12 0.00 2.04 -1.28 -3.35 117.51 116.68 2jkt h ILE 382 Ca 0.02 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2jkt h ILE 382 Cb 1.10 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2jkt h ILE 382 CO 0.11 0.05 -0.06 0.50 0.00 0.00 0.00 178.15 178.75 2jkt h LYS 383 N -0.06 -0.15 -4.97 2.37 3.64 -1.19 -3.38 116.57 112.83 2jkt h LYS 383 Ca 0.00 0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.71 2jkt h LYS 383 Cb 0.08 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 31.75 2jkt h LYS 383 CO -0.00 0.33 0.40 0.08 -2.27 0.00 0.00 179.45 177.99 2jkt s VAL 384 N -3.43 4.67 0.26 2.00 1.01 0.14 -4.90 120.40 120.14 2jkt s VAL 384 Ca -0.14 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2jkt s VAL 384 Cb 0.00 -4.61 0.26 0.00 0.00 0.00 0.00 36.38 32.03 2jkt s VAL 384 CO 0.52 -1.31 1.92 -0.08 0.00 0.00 0.00 175.10 176.15 2jkt h GLU 385 N 9.18 1.24 0.00 2.72 4.22 -1.75 -2.54 114.58 127.65 2jkt h GLU 385 Ca -0.18 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.18 2jkt h GLU 385 Cb 1.07 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jkt h GLU 385 CO 1.11 0.82 0.00 1.04 -2.18 0.00 0.00 179.01 179.80 2jkt n GLN 386 N -4.42 0.09 0.00 1.92 3.00 -1.26 -3.14 117.38 113.56 2jkt n GLN 386 Ca 0.13 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.37 2jkt n GLN 386 Cb 0.07 -1.61 0.35 0.00 0.00 0.00 0.00 30.24 29.05 2jkt n GLN 386 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2jkt n SER 387 N -1.77 1.60 -0.31 1.08 3.41 -0.96 -4.50 113.62 112.18 2jkt n SER 387 Ca 0.06 -1.35 0.17 0.00 -0.26 0.00 0.00 58.87 57.49 2jkt n SER 387 Cb 0.34 0.11 0.33 0.00 -0.26 0.00 0.00 64.21 64.72 2jkt n SER 387 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkt n ALA 388 N 0.01 0.57 0.10 7.33 0.00 -1.19 -1.24 120.51 126.10 2jkt n ALA 388 Ca 0.15 0.96 -0.13 0.00 0.00 0.00 0.00 53.44 54.41 2jkt n ALA 388 Cb 0.40 -0.76 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 2jkt n ALA 388 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jkt h GLU 389 N 0.00 -0.25 -0.04 0.00 5.08 -1.89 -2.06 114.58 115.42 2jkt h GLU 389 Ca 0.60 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.98 2jkt h GLU 389 Cb 1.33 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2jkt h GLU 389 CO -0.82 0.06 0.04 0.07 -1.00 0.00 0.00 179.01 177.36 2jkt h ARG 390 N -0.57 0.00 0.35 2.33 -0.00 -1.51 0.11 114.38 115.08 2jkt h ARG 390 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 2jkt h ARG 390 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 2jkt h ARG 390 CO 0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 179.97 179.84 2jkt h VAL 392 N -0.74 0.90 0.85 0.00 2.07 -0.52 -1.10 116.25 117.71 2jkt h VAL 392 Ca -0.05 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2jkt h VAL 392 Cb 0.50 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2jkt h VAL 392 CO 0.08 0.04 -0.41 0.28 0.02 0.00 0.00 177.57 177.58 2jkt h SER 393 N 0.24 -0.97 -0.38 0.57 0.02 -0.58 -2.29 113.55 110.17 2jkt h SER 393 Ca 0.20 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2jkt h SER 393 Cb 0.49 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2jkt h SER 393 CO -0.04 -0.67 0.15 0.71 -1.14 0.00 0.00 176.83 175.85 2jkt h THR 394 N -1.20 1.18 -0.93 -2.27 1.35 -1.10 -2.00 112.91 107.94 2jkt h THR 394 Ca -0.12 -0.59 0.03 0.00 -0.55 0.00 0.00 66.41 65.19 2jkt h THR 394 Cb 0.88 0.68 -0.05 0.00 -1.73 0.00 0.00 68.15 67.92 2jkt h THR 394 CO 0.19 0.22 0.60 -0.07 -0.25 0.00 0.00 175.52 176.22 2jkt h LEU 395 N 0.63 1.01 -0.72 3.87 3.38 -1.15 -0.35 115.31 121.98 2jkt h LEU 395 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2jkt h LEU 395 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jkt h LEU 395 CO -0.01 0.69 -0.21 -0.07 0.09 0.00 0.00 178.44 178.93 2jkt h LEU 396 N 1.17 0.76 -0.66 1.67 3.38 -0.85 -1.85 115.31 118.94 2jkt h LEU 396 Ca 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jkt h LEU 396 Cb 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2jkt h LEU 396 CO -0.12 0.96 0.42 0.44 0.09 0.00 0.00 178.44 180.23 2jkt h ASP 397 N 0.66 0.76 -0.51 -0.43 3.45 -0.50 -1.33 116.42 118.52 2jkt h ASP 397 Ca 0.09 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 2jkt h ASP 397 Cb 0.71 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 2jkt h ASP 397 CO 0.05 0.57 0.16 -0.07 -1.57 0.00 0.00 179.24 178.38 2jkt h LEU 398 N 0.89 0.75 -1.09 1.55 3.38 -0.98 -2.60 115.31 117.22 2jkt h LEU 398 Ca 0.24 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2jkt h LEU 398 Cb -0.08 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2jkt h LEU 398 CO -0.05 0.77 0.62 0.40 0.09 0.00 0.00 178.44 180.26 2jkt h ILE 399 N 0.71 1.05 0.00 1.22 2.04 -0.77 -1.33 117.51 120.43 2jkt h ILE 399 Ca 0.17 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jkt h ILE 399 Cb 0.28 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2jkt h ILE 399 CO -0.00 0.20 0.04 0.00 0.00 0.00 0.00 178.15 178.38 2jkt n GLN 400 N -4.51 0.03 0.01 2.37 3.00 -0.55 -0.85 117.38 116.88 2jkt n GLN 400 Ca 0.15 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.78 2jkt n GLN 400 Cb 0.22 -1.64 0.58 0.00 0.00 0.00 0.00 30.24 29.40 2jkt n GLN 400 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jkt n THR 401 N -1.64 0.14 -0.56 5.09 -2.24 -0.50 -4.86 114.28 109.71 2jkt n THR 401 Ca -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2jkt n THR 401 Cb 0.04 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2jkt n THR 401 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jkt n LYS 402 N -1.58 -1.39 -1.90 -0.78 5.02 -0.03 -4.86 118.16 112.62 2jkt n LYS 402 Ca 0.07 0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.16 2jkt n LYS 402 Cb 0.34 -3.89 -0.03 0.00 -0.02 0.00 0.00 35.03 31.43 2jkt n LYS 402 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jkt s VAL 403 N -0.66 3.36 0.09 -0.18 1.01 -1.26 -4.93 120.40 117.83 2jkt s VAL 403 Ca 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 2jkt s VAL 403 Cb 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.73 2jkt s VAL 403 CO 0.00 -0.34 1.69 -0.55 0.00 0.00 0.00 175.10 175.90 2jkt h ASN 404 N 13.65 -0.37 -1.30 3.32 7.08 -1.94 -0.97 115.58 135.05 2jkt h ASN 404 Ca -0.35 0.02 0.38 0.00 -3.08 0.00 0.00 56.30 53.27 2jkt h ASN 404 Cb 1.19 0.11 -0.07 0.00 -2.08 0.00 0.00 38.32 37.47 2jkt h ASN 404 CO 1.03 -0.24 0.92 0.10 -2.08 0.00 0.00 177.43 177.16 2jkt h TYR 405 N -0.37 0.15 0.06 4.14 -0.00 -1.96 -2.03 116.97 116.95 2jkt h TYR 405 Ca -0.02 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 58.62 2jkt h TYR 405 Cb 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 36.73 37.01 2jkt h TYR 405 CO -0.09 -0.01 -0.45 0.28 -0.00 0.00 0.00 178.16 177.89 2jkt h VAL 406 N 0.07 1.61 0.27 -0.90 2.07 -1.60 -3.32 116.25 114.44 2jkt h VAL 406 Ca 0.65 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.76 2jkt h VAL 406 Cb 2.42 3.23 -0.03 0.00 -1.52 0.00 0.00 31.29 35.39 2jkt h VAL 406 CO -0.09 0.64 -0.39 0.58 0.02 0.00 0.00 177.57 178.33 2jkt h VAL 407 N -0.73 0.21 -0.93 2.57 2.07 -0.64 -2.44 116.25 116.37 2jkt h VAL 407 Ca -0.09 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.67 2jkt h VAL 407 Cb 1.30 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2jkt h VAL 407 CO 0.05 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.83 2jkt h GLN 408 N -0.71 0.24 0.00 1.57 4.20 -1.63 0.55 115.11 119.33 2jkt h GLN 408 Ca -0.01 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 2jkt h GLN 408 Cb 0.68 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2jkt h GLN 408 CO -0.14 0.16 -0.54 0.93 -0.67 0.00 0.00 178.83 178.58 2jkt h GLU 409 N 0.25 0.00 0.19 1.46 4.39 -1.60 -3.34 114.58 115.93 2jkt h GLU 409 Ca 0.48 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.83 2jkt h GLU 409 Cb 1.44 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2jkt h GLU 409 CO -0.13 0.52 -1.71 0.00 -1.16 0.00 0.00 179.01 176.53 2jkt h ALA 410 N 1.47 0.13 -0.40 3.43 0.00 0.48 -3.19 119.26 121.19 2jkt h ALA 410 Ca -0.01 -1.12 0.10 0.00 0.00 0.00 0.00 54.91 53.89 2jkt h ALA 410 Cb 1.41 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 2jkt h ALA 410 CO 0.07 0.98 0.28 0.97 0.00 0.00 0.00 179.25 181.55 2jkt h ILE 411 N 0.08 0.83 0.08 0.00 6.09 -1.18 -0.86 117.51 122.55 2jkt h ILE 411 Ca -0.34 -0.02 -0.17 0.00 -1.37 0.00 0.00 64.86 62.96 2jkt h ILE 411 Cb 2.08 0.76 0.02 0.00 0.47 0.00 0.00 36.82 40.15 2jkt h ILE 411 CO 0.18 0.01 -0.73 0.58 -3.07 0.00 0.00 178.15 175.12 2jkt h VAL 412 N 0.07 1.47 -0.50 2.19 2.07 -1.69 -1.53 116.25 118.33 2jkt h VAL 412 Ca 0.19 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 2jkt h VAL 412 Cb 0.67 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 2jkt h VAL 412 CO -0.01 0.67 0.26 0.58 0.02 0.00 0.00 177.57 179.08 2jkt h VAL 413 N -0.23 1.18 -0.06 2.57 2.07 -1.42 -2.13 116.25 118.24 2jkt h VAL 413 Ca -0.11 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2jkt h VAL 413 Cb 1.50 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2jkt h VAL 413 CO 0.14 0.20 -0.39 0.40 0.02 0.00 0.00 177.57 177.93 2jkt h ILE 414 N 0.67 0.18 -1.00 4.57 1.08 -1.22 0.21 117.51 121.99 2jkt h ILE 414 Ca 0.17 0.00 0.38 0.00 -0.39 0.00 0.00 64.86 65.02 2jkt h ILE 414 Cb 0.08 0.18 -0.17 0.00 -3.07 0.00 0.00 36.82 33.85 2jkt h ILE 414 CO -0.03 0.00 0.54 -0.09 -0.69 0.00 0.00 178.15 177.89 2jkt h ARG 415 N -0.51 0.13 0.00 2.37 1.12 -0.83 0.73 114.38 117.39 2jkt h ARG 415 Ca 0.06 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 2jkt h ARG 415 Cb 0.62 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2jkt h ARG 415 CO -0.34 0.09 -0.84 -0.25 -3.11 0.00 0.00 179.97 175.52 2jkt n ASP 416 N -5.18 0.63 0.08 -3.80 8.00 -0.57 -2.70 116.55 113.01 2jkt n ASP 416 Ca 0.35 -0.18 -0.05 0.00 0.71 0.00 0.00 54.79 55.62 2jkt n ASP 416 Cb 1.16 0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 42.75 2jkt n ASP 416 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2jkt h ILE 417 N 0.00 1.58 0.34 0.53 2.04 0.34 -2.98 117.51 119.36 2jkt h ILE 417 Ca 0.00 -3.13 -0.02 0.00 1.00 0.00 0.00 64.86 62.71 2jkt h ILE 417 Cb 0.68 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2jkt h ILE 417 CO 0.00 0.88 -0.16 -0.26 0.00 0.00 0.00 178.15 178.60 2jkt h PHE 418 N 0.00 -0.43 0.00 1.37 0.04 -0.64 -2.60 116.94 114.68 2jkt h PHE 418 Ca -0.01 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2jkt h PHE 418 Cb 1.65 0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.94 2jkt h PHE 418 CO 0.00 -0.13 0.00 0.54 -0.60 0.00 0.00 178.31 178.12 2jkt n ARG 419 N -5.19 0.05 -0.08 1.51 1.74 -1.10 -2.66 116.66 110.93 2jkt n ARG 419 Ca -0.10 0.51 -0.08 0.00 -0.77 0.00 0.00 57.85 57.41 2jkt n ARG 419 Cb 0.26 -1.65 -0.13 0.00 -1.02 0.00 0.00 32.46 29.92 2jkt n ARG 419 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jkt n LYS 420 N -1.75 1.27 -4.49 5.56 3.00 -1.13 -2.19 118.16 118.43 2jkt n LYS 420 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.05 2jkt n LYS 420 Cb 0.04 -1.43 -0.17 0.00 0.00 0.00 0.00 35.03 33.47 2jkt n LYS 420 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jkt s TYR 421 N -2.41 1.43 0.00 5.64 4.12 -0.98 -4.74 117.35 120.40 2jkt s TYR 421 Ca -0.08 -0.55 0.00 0.00 0.02 0.00 0.00 57.07 56.46 2jkt s TYR 421 Cb 0.05 -1.07 0.00 0.00 -1.52 0.00 0.00 41.96 39.42 2jkt s TYR 421 CO 0.68 -0.30 0.00 -2.30 0.02 0.00 0.00 175.55 173.65 2jkt n PRO 422 N 3.95 0.00 -0.13 -1.71 -0.02 -1.26 -4.55 135.00 131.28 2jkt n PRO 422 Ca -0.22 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 60.99 2jkt n PRO 422 Cb 0.51 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.89 2jkt n PRO 422 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jkt n ASN 423 N 0.00 1.94 0.00 2.55 0.23 -1.26 -4.61 115.26 114.11 2jkt n ASN 423 Ca 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 2jkt n ASN 423 Cb 0.00 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 36.86 2jkt n ASN 423 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2jkt n LYS 424 N -4.23 0.00 -0.87 -3.83 4.81 -1.26 -3.92 118.16 108.86 2jkt n LYS 424 Ca -0.49 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.01 2jkt n LYS 424 Cb 0.85 -1.44 0.11 0.00 0.02 0.00 0.00 35.03 34.57 2jkt n LYS 424 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jkt n TYR 425 N -0.54 0.00 0.21 5.64 4.02 -1.26 -4.71 117.16 120.51 2jkt n TYR 425 Ca 0.00 -0.92 0.17 0.00 -0.01 0.00 0.00 57.90 57.14 2jkt n TYR 425 Cb 0.00 -0.18 0.75 0.00 -0.02 0.00 0.00 39.34 39.88 2jkt n TYR 425 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jkt h GLU 426 N 0.79 0.00 0.00 -0.72 5.08 -2.01 -2.70 114.58 115.03 2jkt h GLU 426 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jkt h GLU 426 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2jkt h GLU 426 CO 0.04 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.48 2jkt n SER 427 N -3.27 0.00 0.00 1.42 7.64 -1.26 -3.27 113.62 114.88 2jkt n SER 427 Ca 0.03 0.80 0.04 0.00 1.01 0.00 0.00 58.87 60.75 2jkt n SER 427 Cb 0.54 -0.30 0.20 0.00 -1.01 0.00 0.00 64.21 63.64 2jkt n SER 427 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkt n ILE 428 N -1.58 1.19 0.20 0.44 0.13 -1.02 -3.54 119.36 115.18 2jkt n ILE 428 Ca 0.00 0.30 -0.15 0.00 -1.10 0.00 0.00 62.75 61.80 2jkt n ILE 428 Cb 0.00 -1.15 -0.07 0.00 -0.84 0.00 0.00 39.64 37.58 2jkt n ILE 428 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 2jkt h ILE 429 N 0.00 0.37 -0.47 9.51 1.08 -1.56 -0.79 117.51 125.65 2jkt h ILE 429 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2jkt h ILE 429 Cb 0.12 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2jkt h ILE 429 CO 0.00 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 178.03 2jkt h ALA 430 N -0.07 2.18 0.32 1.87 0.00 -1.76 -1.05 119.26 120.74 2jkt h ALA 430 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jkt h ALA 430 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jkt h ALA 430 CO -0.06 -0.81 -0.15 1.15 0.00 0.00 0.00 179.25 179.38 2jkt h THR 431 N 0.00 0.00 -1.97 0.00 2.02 -1.39 -3.31 112.91 108.26 2jkt h THR 431 Ca 0.22 -0.35 0.57 0.00 0.77 0.00 0.00 66.41 67.62 2jkt h THR 431 Cb 1.35 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 2jkt h THR 431 CO -0.00 0.00 1.42 -0.07 0.37 0.00 0.00 175.52 177.24 2jkt h LEU 432 N -0.78 0.00 -4.21 2.58 4.07 -0.89 0.07 115.31 116.14 2jkt h LEU 432 Ca -0.04 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.77 2jkt h LEU 432 Cb 0.33 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 2jkt h LEU 432 CO 0.07 0.00 -0.18 0.00 -1.08 0.00 0.00 178.44 177.25 2jkt n GLU 434 N 2.60 4.07 -0.21 0.00 0.28 0.01 -4.79 120.64 122.60 2jkt n GLU 434 Ca 0.32 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.38 2jkt n GLU 434 Cb 0.70 -0.53 0.16 0.00 1.43 0.00 0.00 31.44 33.20 2jkt n GLU 434 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2jkt n ASN 435 N -0.86 2.99 0.00 -1.84 5.03 -0.71 -4.58 115.26 115.28 2jkt n ASN 435 Ca 0.00 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.07 2jkt n ASN 435 Cb 0.00 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2jkt n ASN 435 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2jkt n LEU 436 N -0.12 0.00 0.00 3.41 4.77 -1.26 -3.45 117.00 120.35 2jkt n LEU 436 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2jkt n LEU 436 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2jkt n LEU 436 CO 0.08 0.00 0.16 0.47 -1.33 0.00 0.00 177.39 176.77 2jkt n ASP 437 N -0.68 0.00 -3.32 -1.43 9.92 -1.26 -4.29 116.55 115.49 2jkt n ASP 437 Ca 0.00 0.31 -0.38 0.00 -0.53 0.00 0.00 54.79 54.19 2jkt n ASP 437 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 2jkt n ASP 437 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2jkt n SER 438 N -0.38 6.88 -4.42 -2.24 3.41 -1.22 -4.86 113.62 110.79 2jkt n SER 438 Ca 0.00 -3.73 -0.45 0.00 -0.26 0.00 0.00 58.87 54.44 2jkt n SER 438 Cb 0.00 -1.03 -0.02 0.00 -0.26 0.00 0.00 64.21 62.90 2jkt n SER 438 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jkt s LEU 439 N -4.12 5.53 -0.19 1.04 1.43 -1.26 -4.84 118.68 116.27 2jkt s LEU 439 Ca 0.44 -2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 51.10 2jkt s LEU 439 Cb 0.27 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2jkt s LEU 439 CO -0.20 -0.91 -0.34 0.47 0.23 0.00 0.00 176.35 175.59 2jkt n ASP 440 N 5.78 1.94 -4.30 2.29 8.00 -1.26 -4.69 116.55 124.30 2jkt n ASP 440 Ca 0.22 0.34 -0.58 0.00 0.71 0.00 0.00 54.79 55.48 2jkt n ASP 440 Cb 0.48 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 2jkt n ASP 440 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jkt n GLU 441 N -4.45 0.00 -0.20 -1.24 1.02 -1.26 -4.79 120.64 109.72 2jkt n GLU 441 Ca -0.17 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.97 2jkt n GLU 441 Cb 0.54 -1.41 0.10 0.00 -0.02 0.00 0.00 31.44 30.65 2jkt n GLU 441 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jkt h PRO 442 N 3.43 0.46 -0.12 3.49 0.11 -2.00 -2.42 132.00 134.95 2jkt h PRO 442 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2jkt h PRO 442 Cb 1.32 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jkt h PRO 442 CO 0.71 0.30 0.11 -0.44 -0.21 0.00 0.00 178.00 178.47 2jkt h ASP 443 N 0.47 0.00 0.00 -2.05 3.32 -1.96 -0.38 116.42 115.82 2jkt h ASP 443 Ca 0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2jkt h ASP 443 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jkt h ASP 443 CO -0.27 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.20 2jkt h ALA 444 N 1.89 0.01 -0.65 3.45 0.00 -1.69 -3.15 119.26 119.12 2jkt h ALA 444 Ca 0.06 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2jkt h ALA 444 Cb 0.27 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 2jkt h ALA 444 CO -0.00 0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.13 2jkt h ARG 445 N -1.00 0.00 0.00 0.00 3.08 -1.27 0.54 114.38 115.73 2jkt h ARG 445 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jkt h ARG 445 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jkt h ARG 445 CO -0.01 0.00 0.15 0.00 -1.07 0.00 0.00 179.97 179.05 2jkt h ALA 446 N 1.65 1.13 0.00 0.04 0.00 -1.17 0.55 119.26 121.46 2jkt h ALA 446 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 2jkt h ALA 446 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jkt h ALA 446 CO -0.66 -0.13 -1.23 0.00 0.00 0.00 0.00 179.25 177.23 2jkt n ALA 447 N -1.82 0.76 0.12 0.00 0.00 0.17 -3.49 120.51 116.24 2jkt n ALA 447 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 53.44 52.73 2jkt n ALA 447 Cb 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 2jkt n ALA 447 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2jkt h MET 448 N -1.00 -0.70 -1.00 0.00 -1.53 0.21 -0.11 114.93 110.81 2jkt h MET 448 Ca -0.30 0.05 0.19 0.00 -3.44 0.00 0.00 59.70 56.19 2jkt h MET 448 Cb 1.16 0.16 -0.10 0.00 -0.55 0.00 0.00 31.60 32.27 2jkt h MET 448 CO -0.18 -0.47 0.61 0.82 0.14 0.00 0.00 176.91 177.83 2jkt h ILE 449 N -0.73 0.72 -0.20 1.77 2.04 -0.16 0.23 117.51 121.18 2jkt h ILE 449 Ca 0.00 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 2jkt h ILE 449 Cb 0.74 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2jkt h ILE 449 CO -0.27 0.14 -0.40 -0.25 0.00 0.00 0.00 178.15 177.37 2jkt h TRP 450 N 0.74 0.54 -0.08 1.37 7.01 -1.44 -2.16 115.95 121.93 2jkt h TRP 450 Ca 0.56 -0.15 -0.12 0.00 2.11 0.00 0.00 58.89 61.29 2jkt h TRP 450 Cb 0.91 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 2jkt h TRP 450 CO -0.00 0.79 -0.50 0.82 -2.79 0.00 0.00 178.44 176.76 2jkt h ILE 451 N 0.38 1.35 -0.01 2.65 2.04 0.13 -2.25 117.51 121.79 2jkt h ILE 451 Ca 0.04 -1.73 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 2jkt h ILE 451 Cb 0.86 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2jkt h ILE 451 CO 0.07 0.51 -0.55 0.58 0.00 0.00 0.00 178.15 178.76 2jkt h VAL 452 N 0.17 1.39 0.00 1.67 2.07 -1.09 -3.36 116.25 117.10 2jkt h VAL 452 Ca 0.01 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2jkt h VAL 452 Cb 0.94 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2jkt h VAL 452 CO 0.08 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2jkt n GLY 453 N 0.06 -2.20 3.40 2.17 0.00 -0.82 -2.94 105.19 104.86 2jkt n GLY 453 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2jkt n GLY 453 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jkt n GLU 454 N -1.34 -1.48 -1.41 1.61 4.07 -0.89 -2.76 120.64 118.44 2jkt n GLU 454 Ca 0.00 -0.40 -0.15 0.00 -0.06 0.00 0.00 57.16 56.55 2jkt n GLU 454 Cb 0.00 -1.94 -0.06 0.00 -0.06 0.00 0.00 31.44 29.37 2jkt n GLU 454 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2jkt n TYR 455 N -4.41 -0.11 0.20 4.31 4.02 -1.26 -4.69 117.16 115.23 2jkt n TYR 455 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.01 2jkt n TYR 455 Cb 0.57 -2.93 0.36 0.00 -0.02 0.00 0.00 39.34 37.33 2jkt n TYR 455 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jkt h ALA 456 N 0.21 0.96 0.00 -0.72 0.00 -1.40 -2.83 119.26 115.49 2jkt h ALA 456 Ca -0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2jkt h ALA 456 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2jkt h ALA 456 CO 0.45 0.36 0.00 -0.85 0.00 0.00 0.00 179.25 179.20 2jkt n GLU 457 N -3.38 0.71 0.00 0.00 0.00 -1.26 -2.88 120.64 113.83 2jkt n GLU 457 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.20 2jkt n GLU 457 Cb 0.49 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.45 2jkt n GLU 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jkt n ARG 458 N -1.05 0.14 -3.77 3.44 3.00 -1.07 -4.90 116.66 112.45 2jkt n ARG 458 Ca 0.18 -0.71 -0.28 0.00 -0.01 0.00 0.00 57.85 57.02 2jkt n ARG 458 Cb 0.10 -1.06 -0.16 0.00 0.00 0.00 0.00 32.46 31.35 2jkt n ARG 458 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2jkt s ILE 459 N -0.47 0.75 0.47 0.55 -4.36 -1.14 -4.78 121.20 112.22 2jkt s ILE 459 Ca 0.05 -0.77 0.13 0.00 -0.26 0.00 0.00 60.65 59.80 2jkt s ILE 459 Cb 0.04 -1.24 0.28 0.00 1.25 0.00 0.00 42.46 42.78 2jkt s ILE 459 CO 0.07 -0.24 2.09 0.44 0.24 0.00 0.00 174.94 177.54 2jkt h ASP 460 N 8.17 0.21 -1.06 4.36 3.32 -1.91 -1.97 116.42 127.55 2jkt h ASP 460 Ca -0.16 -0.00 0.39 0.00 0.02 0.00 0.00 57.03 57.28 2jkt h ASP 460 Cb 1.10 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 2jkt h ASP 460 CO 0.36 0.15 0.61 0.78 -1.72 0.00 0.00 179.24 179.43 2jkt h ASN 461 N 0.25 0.37 -0.40 6.45 2.35 -1.93 -3.30 115.58 119.37 2jkt h ASN 461 Ca 0.09 0.22 0.07 0.00 -0.55 0.00 0.00 56.30 56.13 2jkt h ASN 461 Cb 0.06 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 2jkt h ASN 461 CO -0.02 -0.30 -0.13 0.00 -1.65 0.00 0.00 177.43 175.33 2jkt n ALA 462 N -2.32 0.01 -0.93 -0.83 0.00 -0.74 -1.57 120.51 114.13 2jkt n ALA 462 Ca 0.36 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2jkt n ALA 462 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.46 2jkt n ALA 462 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jkt n ASP 463 N -4.61 0.00 0.25 0.00 8.00 -1.24 -0.40 116.55 118.54 2jkt n ASP 463 Ca 0.05 0.15 0.17 0.00 0.71 0.00 0.00 54.79 55.87 2jkt n ASP 463 Cb 0.18 0.00 0.80 0.00 -0.02 0.00 0.00 41.12 42.08 2jkt n ASP 463 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2jkt h GLU 464 N 0.00 0.00 0.82 -1.24 9.09 -1.60 0.13 114.58 121.78 2jkt h GLU 464 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 2jkt h GLU 464 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2jkt h GLU 464 CO 0.00 0.00 -0.46 -0.07 0.05 0.00 0.00 179.01 178.53 2jkt h LEU 465 N 0.00 -1.15 -0.95 3.06 3.38 -0.78 -1.13 115.31 117.73 2jkt h LEU 465 Ca 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2jkt h LEU 465 Cb 0.24 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jkt h LEU 465 CO 0.00 -0.74 -0.49 -0.07 0.09 0.00 0.00 178.44 177.23 2jkt h LEU 466 N -1.19 0.09 0.34 1.67 3.38 -0.04 -3.20 115.31 116.35 2jkt h LEU 466 Ca -0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jkt h LEU 466 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jkt h LEU 466 CO 0.14 0.57 -0.16 -0.08 0.09 0.00 0.00 178.44 178.99 2jkt h GLU 467 N 0.07 -0.44 -0.96 1.13 4.81 -0.70 -1.49 114.58 117.00 2jkt h GLU 467 Ca 0.00 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 2jkt h GLU 467 Cb 0.89 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.29 2jkt h GLU 467 CO 0.07 -0.27 0.61 0.66 -0.73 0.00 0.00 179.01 179.35 2jkt h SER 468 N -0.49 0.62 -0.40 1.04 4.64 -1.20 0.83 113.55 118.59 2jkt h SER 468 Ca -0.05 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2jkt h SER 468 Cb 0.37 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2jkt h SER 468 CO 0.08 0.24 0.21 -0.26 -0.87 0.00 0.00 176.83 176.23 2jkt h PHE 469 N 0.62 0.57 0.00 4.77 -1.00 -1.51 -2.81 116.94 117.58 2jkt h PHE 469 Ca 0.52 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.28 2jkt h PHE 469 Cb 0.99 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.37 2jkt h PHE 469 CO -0.00 0.45 -0.01 1.25 -1.61 0.00 0.00 178.31 178.39 2jkt h LEU 470 N 0.52 0.00 -1.68 1.54 5.85 0.17 -2.74 115.31 118.97 2jkt h LEU 470 Ca 0.14 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2jkt h LEU 470 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2jkt h LEU 470 CO -0.02 0.01 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.68 2jkt h GLU 471 N 0.00 0.10 -2.16 1.25 5.08 -1.11 -3.14 114.58 114.60 2jkt h GLU 471 Ca -0.00 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.77 2jkt h GLU 471 Cb 0.07 -0.02 -0.41 0.00 0.50 0.00 0.00 28.75 28.89 2jkt h GLU 471 CO 0.00 0.19 -0.77 0.41 -1.00 0.00 0.00 179.01 177.84 2jkt n GLY 472 N -1.17 4.51 0.11 -3.84 0.00 -1.03 -4.90 105.19 98.87 2jkt n GLY 472 Ca -0.02 -2.43 -0.16 0.00 0.00 0.00 0.00 46.02 43.41 2jkt n GLY 472 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jkt h PHE 473 N 3.71 0.38 -0.00 1.61 3.57 -1.69 -3.28 116.94 121.24 2jkt h PHE 473 Ca 0.15 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2jkt h PHE 473 Cb 0.70 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2jkt h PHE 473 CO 0.65 1.41 -0.01 -2.39 -2.23 0.00 0.00 178.31 175.74 2jkt n HIS 474 N -3.39 0.00 0.66 0.41 1.44 -1.26 -2.55 115.22 110.53 2jkt n HIS 474 Ca -0.20 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.63 2jkt n HIS 474 Cb 1.05 -0.35 0.07 0.00 0.12 0.00 0.00 29.99 30.87 2jkt n HIS 474 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2jkt n ASP 475 N -1.35 0.63 -4.04 4.39 10.43 -1.25 -5.02 116.55 120.35 2jkt n ASP 475 Ca 0.12 -0.22 -0.30 0.00 2.57 0.00 0.00 54.79 56.96 2jkt n ASP 475 Cb 0.28 0.64 0.20 0.00 1.84 0.00 0.00 41.12 44.07 2jkt n ASP 475 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2jkt s GLU 476 N -3.15 0.48 0.28 -1.24 0.41 -1.06 -4.99 118.70 109.43 2jkt s GLU 476 Ca 0.05 -0.52 -0.29 0.00 -0.41 0.00 0.00 54.97 53.80 2jkt s GLU 476 Cb 0.15 -1.85 -0.10 0.00 -1.78 0.00 0.00 34.13 30.55 2jkt s GLU 476 CO 0.78 -2.50 1.34 -1.12 -0.49 0.00 0.00 175.26 173.26 2jkt s SER 477 N -4.93 6.78 0.51 -0.19 0.01 -1.26 -4.83 113.70 109.79 2jkt s SER 477 Ca 0.76 2.61 0.28 0.00 1.31 0.00 0.00 55.95 60.91 2jkt s SER 477 Cb -0.03 -2.63 1.53 0.00 0.21 0.00 0.00 66.02 65.10 2jkt s SER 477 CO 0.53 -0.56 1.84 0.74 0.41 0.00 0.00 173.24 176.20 2jkt h THR 478 N 3.32 0.00 0.06 1.44 2.02 -1.96 0.28 112.91 118.07 2jkt h THR 478 Ca -0.47 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 2jkt h THR 478 Cb 1.22 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2jkt h THR 478 CO 0.71 0.00 -0.41 -0.61 0.37 0.00 0.00 175.52 175.58 2jkt h GLN 479 N 0.00 0.13 -0.30 6.66 4.15 -1.98 -3.06 115.11 120.70 2jkt h GLN 479 Ca 0.00 -0.22 -0.17 0.00 0.77 0.00 0.00 58.65 59.03 2jkt h GLN 479 Cb 0.33 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2jkt h GLN 479 CO 0.00 1.11 -0.50 -0.39 -1.93 0.00 0.00 178.83 177.12 2jkt h VAL 480 N -0.73 1.28 -0.82 2.39 -1.51 -1.72 -0.52 116.25 114.62 2jkt h VAL 480 Ca -0.08 -1.68 0.11 0.00 -1.23 0.00 0.00 66.70 63.81 2jkt h VAL 480 Cb 1.29 1.57 -0.13 0.00 -2.13 0.00 0.00 31.29 31.90 2jkt h VAL 480 CO 0.06 0.55 -0.47 1.56 -1.23 0.00 0.00 177.57 178.04 2jkt h GLN 481 N 0.67 -0.10 -0.65 5.19 4.20 -0.60 0.74 115.11 124.56 2jkt h GLN 481 Ca 0.03 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2jkt h GLN 481 Cb 1.09 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 2jkt h GLN 481 CO 0.11 -0.06 0.13 -0.07 -0.67 0.00 0.00 178.83 178.27 2jkt h LEU 482 N -0.10 1.00 -0.99 1.46 4.07 -1.42 -2.40 115.31 116.94 2jkt h LEU 482 Ca 0.22 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 2jkt h LEU 482 Cb 0.53 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2jkt h LEU 482 CO -0.85 0.99 -0.35 0.74 -1.08 0.00 0.00 178.44 177.89 2jkt h THR 483 N 0.97 0.84 -0.01 0.22 2.02 0.70 -2.63 112.91 115.03 2jkt h THR 483 Ca 0.20 -1.44 -0.24 0.00 0.77 0.00 0.00 66.41 65.70 2jkt h THR 483 Cb 0.40 1.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2jkt h THR 483 CO 0.01 0.34 -0.98 0.25 0.37 0.00 0.00 175.52 175.51 2jkt h LEU 484 N 0.00 0.72 -0.27 2.58 5.85 0.55 -1.56 115.31 123.18 2jkt h LEU 484 Ca -0.00 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 2jkt h LEU 484 Cb 0.86 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2jkt h LEU 484 CO 0.05 1.37 0.15 0.25 -0.34 0.00 0.00 178.44 179.91 2jkt h LEU 485 N 0.32 0.34 -1.67 2.25 6.46 -1.35 0.13 115.31 121.79 2jkt h LEU 485 Ca -0.10 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.53 2jkt h LEU 485 Cb 1.62 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.46 2jkt h LEU 485 CO 0.18 0.33 -0.18 0.74 -0.62 0.00 0.00 178.44 178.89 2jkt h THR 486 N 0.32 0.72 0.03 1.05 2.02 -1.44 -2.95 112.91 112.66 2jkt h THR 486 Ca 0.10 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 2jkt h THR 486 Cb 0.07 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2jkt h THR 486 CO -0.02 0.18 -0.38 0.00 0.37 0.00 0.00 175.52 175.67 2jkt h ALA 487 N 1.82 0.04 -0.72 6.16 0.00 -0.71 -2.98 119.26 122.88 2jkt h ALA 487 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2jkt h ALA 487 Cb 0.45 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jkt h ALA 487 CO 0.02 0.20 0.42 0.82 0.00 0.00 0.00 179.25 180.71 2jkt h ILE 488 N -0.88 1.21 -0.68 0.00 2.04 -0.79 -1.34 117.51 117.07 2jkt h ILE 488 Ca -0.09 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2jkt h ILE 488 Cb 1.18 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2jkt h ILE 488 CO -0.01 0.22 0.32 0.58 0.00 0.00 0.00 178.15 179.27 2jkt h VAL 489 N 0.98 1.23 -0.52 1.67 2.07 -1.67 -0.99 116.25 119.03 2jkt h VAL 489 Ca 0.26 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.22 2jkt h VAL 489 Cb -0.00 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 2jkt h VAL 489 CO -0.05 0.27 0.07 0.11 0.02 0.00 0.00 177.57 178.00 2jkt h LYS 490 N 0.94 0.19 -0.05 1.57 1.57 -1.26 -1.84 116.57 117.71 2jkt h LYS 490 Ca 0.23 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2jkt h LYS 490 Cb 0.13 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2jkt h LYS 490 CO -0.03 0.13 -0.16 1.25 -0.57 0.00 0.00 179.45 180.07 2jkt h LEU 491 N 0.20 -0.47 -1.14 2.94 5.85 -0.58 -2.30 115.31 119.81 2jkt h LEU 491 Ca 0.26 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2jkt h LEU 491 Cb 0.38 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2jkt h LEU 491 CO -0.37 -0.21 0.00 0.15 -0.34 0.00 0.00 178.44 177.67 2jkt h PHE 492 N -0.24 0.00 0.00 1.25 3.57 -0.42 0.73 116.94 121.83 2jkt h PHE 492 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2jkt h PHE 492 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2jkt h PHE 492 CO -0.23 0.00 -1.05 1.28 -2.23 0.00 0.00 178.31 176.08 2jkt n LEU 493 N -2.33 0.65 -0.06 0.59 4.32 -0.81 -3.49 117.00 115.87 2jkt n LEU 493 Ca 0.00 0.15 -0.18 0.00 -0.02 0.00 0.00 56.01 55.97 2jkt n LEU 493 Cb 0.15 -0.09 -0.13 0.00 -1.62 0.00 0.00 43.42 41.72 2jkt n LEU 493 CO 0.16 -0.06 -1.04 0.29 -1.22 0.00 0.00 177.39 175.52 2jkt n LYS 494 N -2.28 0.70 -3.18 3.23 5.02 0.12 -4.69 118.16 117.08 2jkt n LYS 494 Ca 0.01 0.19 -0.22 0.00 -2.02 0.00 0.00 58.31 56.27 2jkt n LYS 494 Cb 0.49 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 2jkt n LYS 494 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jkt n LYS 495 N -3.27 1.34 -2.08 1.97 5.02 0.21 -5.04 118.16 116.31 2jkt n LYS 495 Ca -0.36 -3.65 -0.37 0.00 -2.02 0.00 0.00 58.31 51.91 2jkt n LYS 495 Cb 1.04 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.40 2jkt n LYS 495 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2jkt s PRO 496 N -2.14 3.31 0.00 1.97 0.02 -1.23 -2.87 135.00 134.07 2jkt s PRO 496 Ca 0.39 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2jkt s PRO 496 Cb 0.26 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2jkt s PRO 496 CO -0.09 -0.95 0.00 -1.13 -0.33 0.00 0.00 177.00 174.50 2jkt n SER 497 N -1.09 0.00 0.13 2.53 3.41 -1.26 -4.69 113.62 112.65 2jkt n SER 497 Ca 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 2jkt n SER 497 Cb 0.48 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.81 2jkt n SER 497 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jkt n GLU 498 N 0.00 0.09 -0.60 4.33 1.02 -1.14 -2.84 120.64 121.51 2jkt n GLU 498 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2jkt n GLU 498 Cb 0.00 -1.95 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2jkt n GLU 498 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2jkt n THR 499 N -2.00 0.00 0.05 2.62 5.66 -1.23 -4.89 114.28 114.50 2jkt n THR 499 Ca -0.01 -0.08 0.05 0.00 -3.05 0.00 0.00 64.05 60.96 2jkt n THR 499 Cb 0.18 0.40 0.47 0.00 -1.55 0.00 0.00 70.33 69.84 2jkt n THR 499 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2jkt h GLN 500 N 0.08 0.42 0.15 1.09 1.08 -1.83 -2.99 115.11 113.11 2jkt h GLN 500 Ca -0.04 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 56.91 2jkt h GLN 500 Cb 1.33 -0.09 0.03 0.00 -0.05 0.00 0.00 27.48 28.69 2jkt h GLN 500 CO -0.00 0.28 -0.99 1.49 -0.95 0.00 0.00 178.83 178.66 2jkt h GLU 501 N 0.43 0.40 -0.02 1.46 4.81 -1.90 -3.35 114.58 116.41 2jkt h GLU 501 Ca 0.12 -0.63 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2jkt h GLU 501 Cb -0.02 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jkt h GLU 501 CO -0.03 1.29 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.38 2jkt h LEU 502 N -0.17 -0.31 -1.56 1.64 3.38 -1.90 -1.22 115.31 115.17 2jkt h LEU 502 Ca -0.17 0.04 0.41 0.00 0.09 0.00 0.00 57.88 58.25 2jkt h LEU 502 Cb 1.76 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 42.53 2jkt h LEU 502 CO 0.19 -0.09 0.90 -0.37 0.09 0.00 0.00 178.44 179.16 2jkt h VAL 503 N -0.10 0.21 0.06 1.22 -1.51 -1.73 0.49 116.25 114.88 2jkt h VAL 503 Ca 0.01 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2jkt h VAL 503 Cb 0.12 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 2jkt h VAL 503 CO -0.08 0.02 -0.03 1.56 -1.23 0.00 0.00 177.57 177.82 2jkt h GLN 504 N 0.11 -0.07 -0.40 5.19 4.20 -1.46 -2.25 115.11 120.43 2jkt h GLN 504 Ca 0.77 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.50 2jkt h GLN 504 Cb 2.53 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 30.30 2jkt h GLN 504 CO -0.29 0.33 0.23 1.96 -0.67 0.00 0.00 178.83 180.39 2jkt h GLN 505 N -0.49 0.45 0.00 1.46 4.20 0.11 -0.35 115.11 120.49 2jkt h GLN 505 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jkt h GLN 505 Cb 0.43 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2jkt h GLN 505 CO 0.01 0.30 0.00 0.28 -0.67 0.00 0.00 178.83 178.75 2jkt n VAL 506 N -4.87 0.00 -0.31 -0.54 0.31 -0.50 -1.06 118.33 111.36 2jkt n VAL 506 Ca 0.01 1.45 0.17 0.00 -0.01 0.00 0.00 64.34 65.96 2jkt n VAL 506 Cb 0.06 -2.33 0.36 0.00 -0.91 0.00 0.00 33.84 31.02 2jkt n VAL 506 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2jkt h LEU 507 N 0.00 0.08 -0.10 7.52 3.38 -1.41 0.82 115.31 125.60 2jkt h LEU 507 Ca 0.00 0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2jkt h LEU 507 Cb 0.00 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2jkt h LEU 507 CO 0.00 -0.20 -0.16 -1.28 0.09 0.00 0.00 178.44 176.88 2jkt h SER 508 N 0.19 -0.50 0.43 -0.43 0.87 -0.86 -1.53 113.55 111.71 2jkt h SER 508 Ca 0.63 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 61.14 2jkt h SER 508 Cb 1.36 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 2jkt h SER 508 CO -0.69 -0.21 -0.59 -0.07 -0.53 0.00 0.00 176.83 174.74 2jkt h LEU 509 N -0.22 0.18 -0.74 2.23 3.38 0.22 0.51 115.31 120.88 2jkt h LEU 509 Ca 0.09 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2jkt h LEU 509 Cb 0.34 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jkt h LEU 509 CO -0.23 0.73 -0.59 0.00 0.09 0.00 0.00 178.44 178.44 2jkt h ALA 510 N 1.27 0.94 0.08 1.53 0.00 -0.89 0.43 119.26 122.62 2jkt h ALA 510 Ca -0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 54.91 54.00 2jkt h ALA 510 Cb 1.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jkt h ALA 510 CO 0.09 0.73 -2.11 2.41 0.00 0.00 0.00 179.25 180.37 2jkt n THR 511 N -3.86 1.69 -0.12 0.00 -1.04 -0.58 -3.58 114.28 106.79 2jkt n THR 511 Ca -0.02 -0.65 -0.22 0.00 -2.04 0.00 0.00 64.05 61.12 2jkt n THR 511 Cb 0.60 -1.58 -0.12 0.00 -1.82 0.00 0.00 70.33 67.42 2jkt n THR 511 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jkt n GLN 512 N -3.38 0.64 -0.04 -2.82 1.13 0.17 -4.79 117.38 108.30 2jkt n GLN 512 Ca -0.34 0.21 -0.21 0.00 -1.94 0.00 0.00 57.00 54.72 2jkt n GLN 512 Cb 1.04 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 29.72 2jkt n GLN 512 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2jkt h ASP 513 N -0.32 0.21 -3.31 1.08 3.58 -1.57 -3.46 116.42 112.62 2jkt h ASP 513 Ca -0.60 -0.76 -0.53 0.00 0.42 0.00 0.00 57.03 55.57 2jkt h ASP 513 Cb 1.81 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.80 2jkt h ASP 513 CO -0.18 1.53 0.58 -0.55 -2.88 0.00 0.00 179.24 177.74 2jkt s SER 514 N -6.89 7.05 -0.08 2.28 0.15 0.12 -4.97 113.70 111.37 2jkt s SER 514 Ca -0.23 2.16 0.13 0.00 0.70 0.00 0.00 55.95 58.71 2jkt s SER 514 Cb 0.04 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.16 2jkt s SER 514 CO 0.70 -0.44 1.33 -0.90 1.20 0.00 0.00 173.24 175.12 2jkt n ASP 515 N 3.23 3.34 -4.57 5.45 5.68 -1.26 -4.68 116.55 123.74 2jkt n ASP 515 Ca 0.07 -2.48 -0.41 0.00 -0.50 0.00 0.00 54.79 51.48 2jkt n ASP 515 Cb 0.45 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 2jkt n ASP 515 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2jkt s ASN 516 N -1.44 5.84 0.49 -1.12 3.84 -1.26 -4.89 114.94 116.40 2jkt s ASN 516 Ca 0.31 0.44 0.32 0.00 0.21 0.00 0.00 52.86 54.14 2jkt s ASN 516 Cb 0.22 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.81 2jkt s ASN 516 CO 0.12 -1.91 1.77 -0.65 -2.79 0.00 0.00 177.10 173.64 2jkt h PRO 517 N 12.46 0.11 -0.11 0.43 0.11 -1.98 -0.78 132.00 142.23 2jkt h PRO 517 Ca -0.28 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 2jkt h PRO 517 Cb 1.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jkt h PRO 517 CO 1.17 0.07 -0.66 0.22 -0.21 0.00 0.00 178.00 178.60 2jkt h ASP 518 N 0.12 0.51 0.61 -2.05 3.58 -1.98 -2.00 116.42 115.21 2jkt h ASP 518 Ca 0.62 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 2jkt h ASP 518 Cb 2.18 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 43.08 2jkt h ASP 518 CO -0.12 1.03 -0.29 0.25 -2.88 0.00 0.00 179.24 177.22 2jkt h LEU 519 N 0.32 -0.70 -1.00 2.28 5.85 -1.53 -2.86 115.31 117.68 2jkt h LEU 519 Ca -0.02 -0.03 0.30 0.00 0.84 0.00 0.00 57.88 58.98 2jkt h LEU 519 Cb 1.21 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 42.28 2jkt h LEU 519 CO 0.12 -0.35 0.56 -0.09 -0.34 0.00 0.00 178.44 178.34 2jkt h ARG 520 N -1.06 0.37 0.72 1.25 2.43 -1.36 0.30 114.38 117.04 2jkt h ARG 520 Ca -0.08 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2jkt h ARG 520 Cb 0.68 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2jkt h ARG 520 CO 0.14 0.25 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.03 2jkt h ASP 521 N 0.39 -0.91 0.02 -3.80 5.19 -1.29 -2.13 116.42 113.88 2jkt h ASP 521 Ca 0.71 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 57.15 2jkt h ASP 521 Cb 1.54 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 41.30 2jkt h ASP 521 CO -0.57 -0.62 -0.01 0.03 -3.12 0.00 0.00 179.24 174.95 2jkt h ARG 522 N -1.01 0.00 0.10 3.56 3.08 -0.72 0.17 114.38 119.56 2jkt h ARG 522 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2jkt h ARG 522 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2jkt h ARG 522 CO 0.14 0.01 -0.25 0.78 -1.07 0.00 0.00 179.97 179.58 2jkt h GLY 523 N 0.05 -1.14 1.00 0.04 0.00 -0.04 -2.69 103.07 100.29 2jkt h GLY 523 Ca -0.00 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2jkt h GLY 523 CO 0.00 -0.36 0.14 -0.97 0.00 0.00 0.00 176.54 175.35 2jkt h TYR 524 N -0.39 0.27 -0.86 5.60 -1.99 -0.43 -2.59 116.97 116.59 2jkt h TYR 524 Ca -0.01 0.01 0.22 0.00 2.00 0.00 0.00 58.73 60.94 2jkt h TYR 524 Cb 0.37 -0.09 -0.15 0.00 2.00 0.00 0.00 36.73 38.86 2jkt h TYR 524 CO -0.32 0.18 0.06 0.82 -0.00 0.00 0.00 178.16 178.90 2jkt h ILE 525 N 0.28 0.24 0.16 -2.88 5.03 -0.73 0.29 117.51 119.91 2jkt h ILE 525 Ca 0.08 -0.03 -0.01 0.00 -0.12 0.00 0.00 64.86 64.77 2jkt h ILE 525 Cb -0.02 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 33.90 2jkt h ILE 525 CO -0.02 0.02 -0.08 1.88 -0.68 0.00 0.00 178.15 179.27 2jkt h TYR 526 N 0.10 -0.20 -0.47 1.37 0.99 -1.31 -1.92 116.97 115.53 2jkt h TYR 526 Ca 0.50 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.32 2jkt h TYR 526 Cb 0.96 0.07 -0.09 0.00 1.00 0.00 0.00 36.73 38.67 2jkt h TYR 526 CO -0.41 0.23 -0.09 2.35 -0.00 0.00 0.00 178.16 180.24 2jkt h TRP 527 N -0.79 -0.19 -0.08 4.88 7.01 -0.83 0.38 115.95 126.33 2jkt h TRP 527 Ca -0.02 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2jkt h TRP 527 Cb 0.53 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 2jkt h TRP 527 CO 0.08 -0.18 0.01 0.00 -2.79 0.00 0.00 178.44 175.56 2jkt h ARG 528 N 0.03 0.04 -0.44 2.65 3.08 -0.55 -1.57 114.38 117.61 2jkt h ARG 528 Ca 0.23 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 2jkt h ARG 528 Cb 0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2jkt h ARG 528 CO -0.46 0.03 0.21 1.25 -1.07 0.00 0.00 179.97 179.93 2jkt h LEU 529 N 0.04 0.58 0.59 3.04 5.85 -0.45 -2.53 115.31 122.44 2jkt h LEU 529 Ca 0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2jkt h LEU 529 Cb 0.04 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2jkt h LEU 529 CO -0.06 0.55 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.15 2jkt h LEU 530 N 0.57 -0.97 -0.31 2.25 3.38 -0.22 -2.68 115.31 117.33 2jkt h LEU 530 Ca 0.15 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jkt h LEU 530 Cb 0.13 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jkt h LEU 530 CO -0.02 -0.58 0.00 -1.54 0.09 0.00 0.00 178.44 176.40 2jkt n SER 531 N -4.79 0.28 -0.00 -0.43 3.41 -0.60 -3.00 113.62 108.50 2jkt n SER 531 Ca -0.11 0.57 0.03 0.00 -0.26 0.00 0.00 58.87 59.10 2jkt n SER 531 Cb 0.39 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2jkt n SER 531 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jkt n THR 532 N -1.82 0.00 -2.71 6.66 -2.24 -0.96 -4.91 114.28 108.31 2jkt n THR 532 Ca 0.03 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 2jkt n THR 532 Cb 0.19 0.87 0.07 0.00 -2.10 0.00 0.00 70.33 69.35 2jkt n THR 532 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jkt n ASP 533 N -1.27 -2.06 0.14 3.42 2.03 -1.01 -5.02 116.55 112.78 2jkt n ASP 533 Ca 0.01 -2.54 0.01 0.00 0.52 0.00 0.00 54.79 52.78 2jkt n ASP 533 Cb 0.11 1.28 0.32 0.00 -0.72 0.00 0.00 41.12 42.11 2jkt n ASP 533 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jkt h PRO 534 N 3.50 0.13 0.00 -0.67 0.11 -1.64 0.11 132.00 133.53 2jkt h PRO 534 Ca -0.19 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 2jkt h PRO 534 Cb 1.12 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jkt h PRO 534 CO 0.06 0.46 -0.13 -0.24 -0.21 0.00 0.00 178.00 177.94 2jkt h VAL 535 N 0.11 0.56 0.08 3.15 3.04 -1.91 -1.38 116.25 119.90 2jkt h VAL 535 Ca 0.01 -0.62 -0.34 0.00 -1.01 0.00 0.00 66.70 64.75 2jkt h VAL 535 Cb 0.66 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 2jkt h VAL 535 CO 0.05 0.13 -1.89 0.41 -1.01 0.00 0.00 177.57 175.26 2jkt n THR 536 N -3.60 1.72 -0.31 3.17 -1.04 -0.45 -3.42 114.28 110.35 2jkt n THR 536 Ca -0.02 -0.71 0.14 0.00 -2.04 0.00 0.00 64.05 61.42 2jkt n THR 536 Cb 0.27 -1.46 0.37 0.00 -1.82 0.00 0.00 70.33 67.69 2jkt n THR 536 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jkt h ALA 537 N 0.44 1.82 -0.09 2.41 0.00 -0.34 0.37 119.26 123.87 2jkt h ALA 537 Ca -0.37 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2jkt h ALA 537 Cb 2.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2jkt h ALA 537 CO 0.08 -0.13 -0.78 -0.22 0.00 0.00 0.00 179.25 178.21 2jkt h LYS 538 N 0.70 0.52 -0.29 0.00 3.64 -1.43 -2.15 116.57 117.56 2jkt h LYS 538 Ca 0.52 -0.44 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jkt h LYS 538 Cb 0.88 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2jkt h LYS 538 CO -0.28 1.08 0.15 0.93 -2.27 0.00 0.00 179.45 179.06 2jkt h GLU 539 N 0.35 0.31 0.03 1.90 4.39 -0.65 -2.91 114.58 118.00 2jkt h GLU 539 Ca -0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2jkt h GLU 539 Cb 1.38 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2jkt h GLU 539 CO 0.14 0.21 -0.01 0.28 -1.16 0.00 0.00 179.01 178.46 2jkt h VAL 540 N 0.32 0.00 0.00 3.13 2.07 -0.40 -3.38 116.25 117.99 2jkt h VAL 540 Ca 0.12 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 2jkt h VAL 540 Cb 0.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2jkt h VAL 540 CO -0.07 0.00 -0.20 -0.37 0.02 0.00 0.00 177.57 176.95 2jkt h VAL 541 N -0.08 0.60 0.00 2.57 -1.51 -1.52 -3.40 116.25 112.91 2jkt h VAL 541 Ca -0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2jkt h VAL 541 Cb 0.03 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2jkt h VAL 541 CO 0.01 0.20 0.00 0.18 -1.23 0.00 0.00 177.57 176.72 2jkt n LEU 542 N -3.51 0.00 -1.46 4.19 4.77 -1.10 -5.01 117.00 114.89 2jkt n LEU 542 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jkt n LEU 542 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2jkt n LEU 542 CO 0.32 0.00 -0.41 -1.54 -1.33 0.00 0.00 177.39 174.43 2jkt n SER 543 N 0.00 -7.96 -4.68 -1.43 3.41 -1.26 -4.71 113.62 96.99 2jkt n SER 543 Ca 0.00 1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 59.32 2jkt n SER 543 Cb 0.00 -4.28 -0.03 0.00 -0.26 0.00 0.00 64.21 59.64 2jkt n SER 543 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jkt s GLU 544 N -3.89 4.19 0.63 4.33 2.02 -1.26 -4.99 118.70 119.72 2jkt s GLU 544 Ca 0.00 2.32 -0.15 0.00 0.02 0.00 0.00 54.97 57.15 2jkt s GLU 544 Cb 0.00 -3.78 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 2jkt s GLU 544 CO 0.00 -0.79 1.09 0.15 0.02 0.00 0.00 175.26 175.73 2jkt s LYS 545 N 3.28 3.04 1.07 1.61 3.01 -1.26 -5.05 119.74 125.43 2jkt s LYS 545 Ca 0.75 1.31 -0.18 0.00 -1.01 0.00 0.00 55.97 56.85 2jkt s LYS 545 Cb -0.38 -1.99 0.26 0.00 -1.01 0.00 0.00 37.83 34.71 2jkt s LYS 545 CO 0.32 -1.05 1.08 -2.30 0.51 0.00 0.00 175.35 173.92 2jkt n PRO 546 N -2.22 -2.43 -2.44 -1.68 -0.02 -1.26 -4.96 135.00 119.99 2jkt n PRO 546 Ca 0.10 -1.71 -0.42 0.00 -2.02 0.00 0.00 63.50 59.44 2jkt n PRO 546 Cb 0.52 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 2jkt n PRO 546 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jkt s LEU 547 N 0.00 4.27 0.37 2.45 1.43 -1.26 -4.97 118.68 120.97 2jkt s LEU 547 Ca 0.67 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 55.31 2jkt s LEU 547 Cb -0.05 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 2jkt s LEU 547 CO 0.50 -0.60 1.46 0.27 0.23 0.00 0.00 176.35 178.21 2jkt s ILE 548 N 2.31 2.14 -0.07 -0.59 -4.36 -0.93 -5.01 121.20 114.69 2jkt s ILE 548 Ca 0.56 0.14 -0.04 0.00 -0.26 0.00 0.00 60.65 61.05 2jkt s ILE 548 Cb -0.25 -3.09 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 2jkt s ILE 548 CO 0.22 0.03 0.11 -0.94 0.24 0.00 0.00 174.94 174.60 2jkt s SER 549 N -0.21 6.01 0.00 4.36 1.04 -1.26 -4.76 113.70 118.89 2jkt s SER 549 Ca 0.53 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2jkt s SER 549 Cb -0.45 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2jkt s SER 549 CO 0.62 0.34 0.00 -1.84 0.98 0.00 0.00 173.24 173.34 2jkt n GLU 550 N 1.63 1.27 0.00 4.02 0.00 -1.26 -5.08 120.64 121.21 2jkt n GLU 550 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 2jkt n GLU 550 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 2jkt n GLU 550 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jkt n GLU 551 N 0.00 0.00 0.02 3.44 4.71 -1.26 -5.08 120.64 122.47 2jkt n GLU 551 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 2jkt n GLU 551 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2jkt n GLU 551 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2jkt h THR 552 N 0.00 0.00 0.00 2.62 1.35 -2.06 -3.48 112.91 111.34 2jkt h THR 552 Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2jkt h THR 552 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2jkt h THR 552 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 2jkt n ASP 553 N -2.39 0.00 -0.15 5.36 8.00 -1.26 -4.90 116.55 121.21 2jkt n ASP 553 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2jkt n ASP 553 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2jkt n ASP 553 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jkt n LEU 554 N 0.00 0.00 -3.93 0.64 4.32 -1.26 -5.14 117.00 111.62 2jkt n LEU 554 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 2jkt n LEU 554 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 2jkt n LEU 554 CO 0.00 0.00 -0.37 -0.63 -1.22 0.00 0.00 177.39 175.17 2jkt s ILE 555 N 3.34 0.11 0.06 -0.08 1.01 -1.26 -5.11 121.20 119.27 2jkt s ILE 555 Ca 0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 60.65 59.82 2jkt s ILE 555 Cb 0.00 -0.17 -0.18 0.00 0.01 0.00 0.00 42.46 42.11 2jkt s ILE 555 CO 0.00 -0.22 1.07 1.21 0.00 0.00 0.00 174.94 177.00 2jkt n GLU 556 N 2.37 0.37 0.32 2.79 2.13 -1.26 -4.72 120.64 122.63 2jkt n GLU 556 Ca -0.18 0.13 0.19 0.00 0.66 0.00 0.00 57.16 57.97 2jkt n GLU 556 Cb 0.57 -1.60 1.05 0.00 0.27 0.00 0.00 31.44 31.73 2jkt n GLU 556 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2jkt h PRO 557 N 3.12 0.00 0.10 5.31 0.13 -1.99 -0.92 132.00 137.75 2jkt h PRO 557 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2jkt h PRO 557 Cb 1.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 2jkt h PRO 557 CO 0.67 0.01 -1.87 1.79 -0.23 0.00 0.00 178.00 178.37 2jkt h THR 558 N 0.00 0.75 0.00 1.56 1.35 -2.00 -3.20 112.91 111.38 2jkt h THR 558 Ca -0.00 -2.48 -0.21 0.00 -0.55 0.00 0.00 66.41 63.17 2jkt h THR 558 Cb 0.04 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2jkt h THR 558 CO 0.00 0.80 -0.91 0.25 -0.25 0.00 0.00 175.52 175.42 2jkt h LEU 559 N 0.06 0.40 0.18 3.87 5.85 -1.84 -2.63 115.31 121.20 2jkt h LEU 559 Ca -0.37 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.04 2jkt h LEU 559 Cb 2.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.91 2jkt h LEU 559 CO 0.10 1.12 -0.37 0.25 -0.34 0.00 0.00 178.44 179.20 2jkt h LEU 560 N 0.17 -1.08 -0.87 2.25 5.85 -1.33 -1.52 115.31 118.79 2jkt h LEU 560 Ca -0.06 0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.97 2jkt h LEU 560 Cb 1.54 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 42.85 2jkt h LEU 560 CO 0.15 -0.47 0.36 0.44 -0.34 0.00 0.00 178.44 178.58 2jkt h ASP 561 N -0.65 0.31 -0.05 1.25 3.32 -1.58 0.26 116.42 119.27 2jkt h ASP 561 Ca 0.01 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2jkt h ASP 561 Cb 0.65 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2jkt h ASP 561 CO -0.18 0.02 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.27 2jkt h GLU 562 N 0.41 0.20 -0.02 3.56 4.81 -0.90 -3.02 114.58 119.62 2jkt h GLU 562 Ca 0.52 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2jkt h GLU 562 Cb 0.95 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2jkt h GLU 562 CO -0.50 0.23 -0.02 1.47 -0.73 0.00 0.00 179.01 179.46 2jkt n LEU 563 N -4.40 2.16 0.22 1.64 -0.00 -0.34 -3.66 117.00 112.62 2jkt n LEU 563 Ca -0.01 -0.99 0.10 0.00 -0.00 0.00 0.00 56.01 55.12 2jkt n LEU 563 Cb 0.17 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.03 2jkt n LEU 563 CO 0.36 0.39 0.80 0.40 -0.00 0.00 0.00 177.39 179.35 2jkt h ILE 564 N 2.76 0.47 -0.18 1.47 1.08 -0.90 -2.92 117.51 119.29 2jkt h ILE 564 Ca 0.00 -1.11 -0.10 0.00 -0.39 0.00 0.00 64.86 63.26 2jkt h ILE 564 Cb 0.59 1.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.12 2jkt h ILE 564 CO 0.00 0.20 -0.33 0.00 -0.69 0.00 0.00 178.15 177.32 2jkt n HIS 566 N -4.08 2.60 -0.21 0.00 8.25 -1.11 -4.80 115.22 115.88 2jkt n HIS 566 Ca -0.01 -1.53 0.31 0.00 -0.26 0.00 0.00 57.72 56.23 2jkt n HIS 566 Cb 0.44 -0.81 0.72 0.00 1.12 0.00 0.00 29.99 31.47 2jkt n HIS 566 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2jkt h ILE 567 N 1.31 0.40 0.14 1.59 2.04 -1.57 0.21 117.51 121.63 2jkt h ILE 567 Ca 0.48 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 66.06 2jkt h ILE 567 Cb 2.54 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 2jkt h ILE 567 CO 0.90 0.00 -1.26 1.23 0.00 0.00 0.00 178.15 179.02 2jkt h GLY 568 N 0.00 0.36 -0.87 5.37 0.00 -1.87 -3.45 103.07 102.60 2jkt h GLY 568 Ca 0.47 -0.89 -0.43 0.00 0.00 0.00 0.00 47.33 46.48 2jkt h GLY 568 CO -0.00 0.78 0.25 -1.35 0.00 0.00 0.00 176.54 176.22 2jkt s SER 569 N -7.20 1.84 0.32 0.19 1.04 0.06 -4.84 113.70 105.11 2jkt s SER 569 Ca -0.05 0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.90 2jkt s SER 569 Cb 0.07 -0.65 0.62 0.00 0.10 0.00 0.00 66.02 66.16 2jkt s SER 569 CO 0.89 -3.54 1.90 -0.07 0.98 0.00 0.00 173.24 173.39 2jkt h LEU 570 N -2.19 0.83 0.00 2.42 3.38 -1.94 -0.50 115.31 117.31 2jkt h LEU 570 Ca -0.45 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jkt h LEU 570 Cb 1.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2jkt h LEU 570 CO 0.36 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.39 2jkt n ALA 571 N -2.40 1.72 -0.04 1.53 0.00 -1.26 0.36 120.51 120.42 2jkt n ALA 571 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.60 2jkt n ALA 571 Cb 0.28 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 2jkt n ALA 571 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jkt n SER 572 N -0.79 0.35 0.00 0.00 7.64 -0.20 -4.47 113.62 116.15 2jkt n SER 572 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2jkt n SER 572 Cb 0.01 1.58 0.00 0.00 -1.01 0.00 0.00 64.21 64.79 2jkt n SER 572 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jkt n VAL 573 N -2.39 0.00 -1.79 0.44 0.31 0.16 -4.20 118.33 110.86 2jkt n VAL 573 Ca -0.14 0.32 -0.39 0.00 -0.01 0.00 0.00 64.34 64.12 2jkt n VAL 573 Cb 0.74 -1.03 0.03 0.00 -0.91 0.00 0.00 33.84 32.67 2jkt n VAL 573 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2jkt s TYR 574 N -0.64 2.37 -2.24 3.52 2.02 -0.88 -4.87 117.35 116.63 2jkt s TYR 574 Ca 0.00 1.31 0.19 0.00 -0.37 0.00 0.00 57.07 58.20 2jkt s TYR 574 Cb 0.00 -3.87 0.58 0.00 -0.40 0.00 0.00 41.96 38.27 2jkt s TYR 574 CO 0.00 -2.94 1.45 0.72 -1.57 0.00 0.00 175.55 173.21 2jkt n HIS 575 N -0.60 0.38 -2.23 2.71 8.25 -1.26 -4.31 115.22 118.16 2jkt n HIS 575 Ca 0.08 -0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 56.94 2jkt n HIS 575 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2jkt n HIS 575 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jkt s LYS 576 N -1.62 4.38 0.79 -0.41 1.02 -1.26 -4.95 119.74 117.69 2jkt s LYS 576 Ca 0.33 2.05 -0.11 0.00 0.02 0.00 0.00 55.97 58.26 2jkt s LYS 576 Cb 0.18 -3.04 0.07 0.00 -0.52 0.00 0.00 37.83 34.52 2jkt s LYS 576 CO 0.25 -0.11 1.11 -1.25 -0.92 0.00 0.00 175.35 174.44 2jkt s PRO 577 N -1.78 2.04 0.30 -1.68 0.04 -1.26 -4.55 135.00 128.10 2jkt s PRO 577 Ca 0.49 1.28 0.13 0.00 0.04 0.00 0.00 61.00 62.95 2jkt s PRO 577 Cb -0.36 -1.86 0.72 0.00 0.04 0.00 0.00 34.50 33.04 2jkt s PRO 577 CO 0.48 -1.82 1.31 -2.30 0.04 0.00 0.00 177.00 174.71 2jkt n PRO 578 N -3.56 0.09 0.06 0.56 -0.02 -1.26 -1.49 135.00 129.38 2jkt n PRO 578 Ca 0.10 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2jkt n PRO 578 Cb 0.53 -2.04 0.48 0.00 -0.02 0.00 0.00 33.50 32.44 2jkt n PRO 578 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2jkt n ASN 579 N -2.03 0.41 -1.21 2.55 3.02 -1.26 -3.40 115.26 113.35 2jkt n ASN 579 Ca -0.01 0.55 0.05 0.00 -0.03 0.00 0.00 54.58 55.14 2jkt n ASN 579 Cb 0.27 -0.66 0.23 0.00 -0.61 0.00 0.00 39.78 39.00 2jkt n ASN 579 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkt n ALA 580 N -1.65 3.15 -3.37 5.41 0.00 -0.56 -4.77 120.51 118.72 2jkt n ALA 580 Ca 0.05 -1.04 0.02 0.00 0.00 0.00 0.00 53.44 52.47 2jkt n ALA 580 Cb 0.34 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 2jkt n ALA 580 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jkt s PHE 581 N -1.91 -0.69 0.00 0.00 -0.00 -1.22 -5.07 117.98 109.08 2jkt s PHE 581 Ca 0.31 1.14 0.00 0.00 -0.00 0.00 0.00 56.93 58.38 2jkt s PHE 581 Cb 0.22 0.39 0.00 0.00 -0.00 0.00 0.00 43.02 43.64 2jkt s PHE 581 CO 0.11 -0.35 0.00 0.28 -0.00 0.00 0.00 175.22 175.26