#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 1.90 6.95 2.58 0.00 -1.26 -4.90 105.19 110.46 2jkt n GLY 13 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.05 1.61 2.13 -1.26 -3.13 120.64 120.04 2jkt n GLU 14 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 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 1.13 -0.21 6.31 2.04 -2.00 -3.24 117.51 121.54 2jkt h ILE 15 Ca 0.00 -2.80 -0.01 0.00 1.00 0.00 0.00 64.86 63.05 2jkt h ILE 15 Cb 0.00 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2jkt h ILE 15 CO 0.00 0.80 0.10 0.15 0.00 0.00 0.00 178.15 179.20 2jkt h PHE 16 N 0.06 0.27 0.03 1.37 3.57 -1.95 -2.66 116.94 117.61 2jkt h PHE 16 Ca -0.24 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.04 2jkt h PHE 16 Cb 2.00 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 2jkt h PHE 16 CO 0.05 0.20 -1.05 0.93 -2.23 0.00 0.00 178.31 176.21 2jkt h GLU 17 N 0.28 0.05 0.00 1.11 5.08 -1.73 -3.09 114.58 116.28 2jkt h GLU 17 Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jkt h GLU 17 Cb 0.03 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jkt h GLU 17 CO -0.01 1.04 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.90 2jkt h LEU 18 N 0.01 0.00 -0.54 1.33 3.38 -1.51 -2.83 115.31 115.16 2jkt h LEU 18 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 18 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2jkt h LEU 18 CO 0.14 0.07 -0.68 0.50 0.09 0.00 0.00 178.44 178.56 2jkt h LYS 19 N 0.00 0.25 -0.10 1.13 3.64 -1.41 -3.12 116.57 116.96 2jkt h LYS 19 Ca -0.00 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 2jkt h LYS 19 Cb 0.65 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2jkt h LYS 19 CO 0.01 0.84 -0.56 0.00 -2.27 0.00 0.00 179.45 177.47 2jkt h ALA 20 N 1.11 0.20 -0.85 5.00 0.00 -1.55 -3.12 119.26 120.05 2jkt h ALA 20 Ca -0.02 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.50 2jkt h ALA 20 Cb 1.22 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2jkt h ALA 20 CO 0.11 0.42 0.55 0.93 0.00 0.00 0.00 179.25 181.26 2jkt h GLU 21 N 0.15 0.64 0.01 0.00 5.08 -1.48 -2.66 114.58 116.33 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 1.21 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jkt h GLU 21 CO 0.11 0.42 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.47 2jkt h LEU 22 N 0.66 -0.01 -1.40 1.33 3.38 -1.60 -3.35 115.31 114.31 2jkt h LEU 22 Ca 0.42 -0.78 0.09 0.00 0.09 0.00 0.00 57.88 57.71 2jkt h LEU 22 Cb 0.68 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2jkt h LEU 22 CO -0.18 0.80 0.49 0.78 0.09 0.00 0.00 178.44 180.42 2jkt h ASN 23 N -0.85 0.61 -0.78 -0.43 4.21 -1.41 -3.42 115.58 113.50 2jkt h ASN 23 Ca -0.00 0.01 -0.75 0.00 1.21 0.00 0.00 56.30 56.77 2jkt h ASN 23 Cb 0.79 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 2jkt h ASN 23 CO 0.00 0.37 1.16 -3.20 -1.29 0.00 0.00 177.43 174.47 2jkt n ASN 24 N -4.50 1.55 0.04 5.81 2.85 -1.08 -4.76 115.26 115.17 2jkt n ASN 24 Ca 0.12 0.78 0.04 0.00 -0.11 0.00 0.00 54.58 55.41 2jkt n ASN 24 Cb 0.32 -1.05 0.20 0.00 1.24 0.00 0.00 39.78 40.50 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 6.68 0.04 -1.79 1.20 2.13 -1.26 -4.22 120.64 123.41 2jkt n GLU 25 Ca 0.41 0.47 -0.27 0.00 0.66 0.00 0.00 57.16 58.43 2jkt n GLU 25 Cb 0.07 -1.60 -0.05 0.00 0.27 0.00 0.00 31.44 30.12 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 -3.12 2.16 0.00 5.31 1.02 -1.26 -4.75 119.74 119.11 2jkt s LYS 26 Ca 0.01 0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.54 2jkt s LYS 26 Cb 0.04 -4.74 0.24 0.00 -0.52 0.00 0.00 37.83 32.85 2jkt s LYS 26 CO 0.11 -3.58 0.78 0.36 -0.92 0.00 0.00 175.35 172.11 2jkt n LYS 27 N 8.94 0.12 0.10 1.68 2.85 -1.26 0.14 118.16 130.72 2jkt n LYS 27 Ca 0.38 0.06 -0.23 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 0.43 -0.06 -1.58 4.39 -1.91 -3.02 114.58 112.82 2jkt h GLU 28 Ca 0.00 -0.73 -0.11 0.00 0.34 0.00 0.00 59.36 58.85 2jkt h GLU 28 Cb 0.01 0.27 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2jkt h GLU 28 CO 0.00 1.35 -0.40 0.87 -1.16 0.00 0.00 179.01 179.67 2jkt h LYS 29 N -0.02 0.38 -0.09 2.33 1.57 0.91 -3.17 116.57 118.47 2jkt h LYS 29 Ca -0.26 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.21 2jkt h LYS 29 Cb 2.00 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 34.34 2jkt h LYS 29 CO 0.20 0.98 -0.42 0.00 -0.57 0.00 0.00 179.45 179.64 2jkt h ARG 30 N -0.11 -0.44 -0.90 3.15 3.08 -1.19 0.51 114.38 118.48 2jkt h ARG 30 Ca -0.03 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2jkt h ARG 30 Cb 1.07 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 31.06 2jkt h ARG 30 CO 0.08 -0.30 -0.29 -0.22 -1.07 0.00 0.00 179.97 178.18 2jkt h LYS 31 N -0.46 -0.02 -0.14 0.04 3.64 -1.63 0.24 116.57 118.24 2jkt h LYS 31 Ca 0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 2jkt h LYS 31 Cb 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2jkt h LYS 31 CO -0.33 -0.01 -0.59 0.93 -2.27 0.00 0.00 179.45 177.18 2jkt h GLU 32 N -0.02 0.46 -0.27 1.90 4.39 -1.42 -3.08 114.58 116.54 2jkt h GLU 32 Ca 0.39 -0.30 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 2jkt h GLU 32 Cb 0.63 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2jkt h GLU 32 CO -0.92 0.91 -0.51 0.00 -1.16 0.00 0.00 179.01 177.33 2jkt h ALA 33 N 1.02 0.59 -0.83 3.43 0.00 0.14 -2.85 119.26 120.76 2jkt h ALA 33 Ca -0.00 -0.50 0.14 0.00 0.00 0.00 0.00 54.91 54.55 2jkt h ALA 33 Cb 1.12 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 2jkt h ALA 33 CO 0.10 0.68 0.42 0.28 0.00 0.00 0.00 179.25 180.73 2jkt h VAL 34 N 0.59 0.72 -0.62 0.00 2.07 -0.58 -1.98 116.25 116.46 2jkt h VAL 34 Ca 0.02 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.47 2jkt h VAL 34 Cb 1.09 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 2jkt h VAL 34 CO 0.11 0.11 -0.04 0.11 0.02 0.00 0.00 177.57 177.88 2jkt h LYS 35 N 0.60 0.08 -0.59 1.57 1.57 -1.43 -1.32 116.57 117.05 2jkt h LYS 35 Ca 0.45 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.17 2jkt h LYS 35 Cb 0.64 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2jkt h LYS 35 CO -0.37 0.05 0.14 0.87 -0.57 0.00 0.00 179.45 179.58 2jkt h LYS 36 N 0.08 0.92 -0.44 3.15 1.57 -1.44 -2.53 116.57 117.88 2jkt h LYS 36 Ca 0.32 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2jkt h LYS 36 Cb 0.51 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2jkt h LYS 36 CO -0.56 0.82 0.23 0.28 -0.57 0.00 0.00 179.45 179.64 2jkt h VAL 37 N 0.88 1.17 -0.03 0.50 2.07 -1.19 -2.25 116.25 117.40 2jkt h VAL 37 Ca 0.19 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2jkt h VAL 37 Cb 0.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2jkt h VAL 37 CO -0.00 0.18 -0.15 0.40 0.02 0.00 0.00 177.57 178.02 2jkt h ILE 38 N 0.57 1.13 -0.29 4.57 2.04 -1.24 -2.73 117.51 121.55 2jkt h ILE 38 Ca 0.15 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2jkt h ILE 38 Cb 0.08 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2jkt h ILE 38 CO -0.02 0.18 0.10 0.00 0.00 0.00 0.00 178.15 178.41 2jkt h ALA 39 N 1.80 0.38 -0.08 1.87 0.00 -0.98 -3.18 119.26 119.07 2jkt h ALA 39 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jkt h ALA 39 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jkt h ALA 39 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2jkt n ALA 40 N -2.28 2.55 -0.05 0.00 0.00 -1.04 -2.75 120.51 116.94 2jkt n ALA 40 Ca -0.02 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2jkt n ALA 40 Cb 0.15 -1.16 -0.12 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 0.87 0.03 -0.91 0.00 2.07 -1.52 -3.05 114.93 112.42 2jkt h MET 41 Ca 0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2jkt h MET 41 Cb 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 2jkt h MET 41 CO 0.00 0.91 0.00 0.25 1.07 0.00 0.00 176.91 179.14 2jkt n THR 42 N -4.62 0.25 -2.39 2.22 -2.24 -1.11 -2.10 114.28 104.29 2jkt n THR 42 Ca -0.10 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 2jkt n THR 42 Cb 0.46 -0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.31 0.18 0.00 2.28 0.24 -1.25 -5.02 118.33 115.07 2jkt n VAL 43 Ca 0.00 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 2jkt n VAL 43 Cb 0.24 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 0.33 2.79 3.68 7.63 0.00 -0.89 -4.96 105.19 113.76 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 -1.62 2.51 -1.93 1.61 5.02 -1.15 -4.86 118.16 117.73 2jkt n LYS 45 Ca 0.00 0.91 -0.32 0.00 -2.02 0.00 0.00 58.31 56.88 2jkt n LYS 45 Cb 0.00 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.19 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 2.88 4.97 0.00 4.39 2.15 -1.26 -4.57 116.67 125.22 2jkt s ASP 46 Ca 0.85 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2jkt s ASP 46 Cb -0.57 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.51 2jkt s ASP 46 CO 0.42 -2.72 0.00 0.52 -0.17 0.00 0.00 175.17 173.22 2jkt n VAL 47 N 7.69 0.00 0.00 1.11 0.31 -1.26 -4.69 118.33 121.49 2jkt n VAL 47 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2jkt n VAL 47 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.31 4.52 2.88 -1.26 -4.64 113.62 115.44 2jkt n SER 48 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 2jkt n SER 48 Cb 0.00 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 64.53 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 -0.33 -3.46 0.87 -2.01 -1.45 113.55 107.18 2jkt h SER 49 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jkt h SER 49 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jkt h SER 49 CO 0.00 0.00 0.01 0.18 -0.53 0.00 0.00 176.83 176.49 2jkt n LEU 50 N -3.03 4.26 0.28 2.23 4.77 -1.26 -4.78 117.00 119.47 2jkt n LEU 50 Ca -0.02 -3.04 -0.16 0.00 -0.03 0.00 0.00 56.01 52.76 2jkt n LEU 50 Cb 0.12 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.55 2jkt n LEU 50 CO 0.21 0.69 0.66 0.15 -1.33 0.00 0.00 177.39 177.77 2jkt h PHE 51 N 2.16 -0.80 -0.26 -1.77 3.57 -1.64 -2.71 116.94 115.49 2jkt h PHE 51 Ca 0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2jkt h PHE 51 Cb 1.57 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 2jkt h PHE 51 CO 0.63 -0.46 0.08 -1.35 -2.23 0.00 0.00 178.31 174.98 2jkt h PRO 52 N -0.75 0.18 -0.80 6.41 0.11 -1.86 -2.58 132.00 132.71 2jkt h PRO 52 Ca -0.05 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.16 2jkt h PRO 52 Cb 0.62 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.63 2jkt h PRO 52 CO 0.05 0.12 0.52 -0.44 -0.21 0.00 0.00 178.00 178.04 2jkt h ASP 53 N 0.19 0.61 0.11 -2.05 3.45 -1.90 0.21 116.42 117.04 2jkt h ASP 53 Ca 0.11 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.48 2jkt h ASP 53 Cb 0.09 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 2jkt h ASP 53 CO -0.13 0.35 -0.39 0.58 -1.57 0.00 0.00 179.24 178.08 2jkt h VAL 54 N 0.67 1.30 -0.32 -1.35 2.07 -1.24 -3.17 116.25 114.20 2jkt h VAL 54 Ca 0.38 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 2jkt h VAL 54 Cb 0.56 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2jkt h VAL 54 CO -0.15 0.46 -0.26 0.58 0.02 0.00 0.00 177.57 178.22 2jkt h VAL 55 N 0.31 1.27 -0.01 2.57 2.07 -0.20 -2.72 116.25 119.54 2jkt h VAL 55 Ca 0.03 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2jkt h VAL 55 Cb 0.82 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2jkt h VAL 55 CO 0.07 0.44 -0.06 -0.46 0.02 0.00 0.00 177.57 177.58 2jkt n ASN 56 N -4.10 1.40 0.16 0.57 0.23 -1.02 -2.24 115.26 110.26 2jkt n ASN 56 Ca -0.00 -1.37 0.13 0.00 -0.53 0.00 0.00 54.58 52.81 2jkt n ASN 56 Cb 0.43 0.03 0.48 0.00 -2.08 0.00 0.00 39.78 38.64 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 0.73 -5.54 0.00 4.05 -1.48 -3.33 114.93 109.36 2jkt h MET 58 Ca 0.00 -0.04 -0.25 0.00 -0.28 0.00 0.00 59.70 59.13 2jkt h MET 58 Cb 0.56 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 2jkt h MET 58 CO 0.00 0.48 0.70 -1.14 0.23 0.00 0.00 176.91 177.18 2jkt s GLN 59 N -5.99 2.30 0.00 0.39 2.00 -1.21 -4.76 119.66 112.39 2jkt s GLN 59 Ca -0.12 -0.50 0.00 0.00 -2.00 0.00 0.00 55.36 52.74 2jkt s GLN 59 Cb 0.21 -5.08 0.00 0.00 0.80 0.00 0.00 33.01 28.94 2jkt s GLN 59 CO 0.78 -3.89 0.00 -2.37 -0.50 0.00 0.00 175.29 169.32 2jkt n THR 60 N 8.06 0.00 0.00 -0.34 5.66 -1.25 -5.09 114.28 121.32 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 2.09 -4.64 1.09 5.75 -1.26 -5.05 116.55 114.29 2jkt n ASP 61 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 54.79 54.34 2jkt n ASP 61 Cb 0.00 0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.85 3.77 0.19 -1.12 4.05 -1.26 -4.86 115.26 114.18 2jkt n ASN 62 Ca 0.00 0.75 0.04 0.00 0.45 0.00 0.00 54.58 55.81 2jkt n ASN 62 Cb 0.25 -1.49 0.37 0.00 1.23 0.00 0.00 39.78 40.14 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 11.39 0.00 -0.48 1.20 5.85 -1.99 -1.42 115.31 129.86 2jkt h LEU 63 Ca -0.47 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 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 0.38 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.30 2jkt h GLU 64 N 0.00 0.88 -0.11 1.25 4.81 -1.99 -2.76 114.58 116.66 2jkt h GLU 64 Ca -0.00 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 2jkt h GLU 64 Cb 0.72 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2jkt h GLU 64 CO 0.05 0.94 -0.58 1.25 -0.73 0.00 0.00 179.01 179.94 2jkt h LEU 65 N 0.74 0.40 0.02 1.64 5.85 -1.79 -2.80 115.31 119.37 2jkt h LEU 65 Ca 0.13 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2jkt h LEU 65 Cb 0.57 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2jkt h LEU 65 CO 0.03 0.89 -0.01 0.50 -0.34 0.00 0.00 178.44 179.52 2jkt h LYS 66 N 0.27 -0.03 0.00 1.25 3.64 -1.30 -2.53 116.57 117.88 2jkt h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 66 Cb 1.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2jkt h LYS 66 CO 0.10 0.58 0.00 1.17 -2.27 0.00 0.00 179.45 179.03 2jkt n LYS 67 N -4.80 0.02 0.01 1.90 4.81 -1.04 -1.16 118.16 117.90 2jkt n LYS 67 Ca -0.09 0.38 -0.18 0.00 -0.87 0.00 0.00 58.31 57.55 2jkt n LYS 67 Cb 0.31 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.69 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 0.59 -0.89 3.14 3.38 -1.30 -3.20 115.31 117.03 2jkt h LEU 68 Ca 0.00 -0.76 -0.11 0.00 0.09 0.00 0.00 57.88 57.10 2jkt h LEU 68 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jkt h LEU 68 CO 0.00 1.28 -0.42 0.58 0.09 0.00 0.00 178.44 179.96 2jkt h VAL 69 N -0.03 1.32 0.00 1.22 2.07 -0.70 -2.87 116.25 117.26 2jkt h VAL 69 Ca -0.09 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 2jkt h VAL 69 Cb 1.38 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2jkt h VAL 69 CO 0.13 0.47 -0.44 1.88 0.02 0.00 0.00 177.57 179.63 2jkt h TYR 70 N 0.23 0.00 -0.86 1.57 -1.99 -1.46 0.00 116.97 114.46 2jkt h TYR 70 Ca 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2jkt h TYR 70 Cb 0.85 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.54 2jkt h TYR 70 CO 0.02 0.44 0.50 -0.07 -0.00 0.00 0.00 178.16 179.04 2jkt h LEU 71 N 0.00 1.05 -0.64 3.88 3.38 -1.50 0.80 115.31 122.28 2jkt h LEU 71 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2jkt h LEU 71 Cb 0.79 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2jkt h LEU 71 CO 0.06 0.83 0.32 0.22 0.09 0.00 0.00 178.44 179.96 2jkt h TYR 72 N 1.19 0.91 0.14 1.13 3.20 -0.95 -3.00 116.97 119.59 2jkt h TYR 72 Ca 0.31 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2jkt h TYR 72 Cb -0.01 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2jkt h TYR 72 CO 0.00 0.67 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.06 2jkt h LEU 73 N 0.88 -0.16 -0.14 2.82 3.38 -0.83 -3.37 115.31 117.90 2jkt h LEU 73 Ca 0.22 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jkt h LEU 73 Cb 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jkt h LEU 73 CO -0.03 0.43 0.09 -0.03 0.09 0.00 0.00 178.44 178.98 2jkt h MET 74 N -0.95 0.19 -2.25 1.13 4.05 -0.94 0.43 114.93 116.59 2jkt h MET 74 Ca -0.02 -0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.21 2jkt h MET 74 Cb 0.46 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.17 2jkt h MET 74 CO 0.03 0.16 -0.03 0.09 0.23 0.00 0.00 176.91 177.40 2jkt n ASN 75 N -4.97 4.38 0.00 1.39 5.03 -1.13 -2.33 115.26 117.64 2jkt n ASN 75 Ca -0.05 -2.30 0.00 0.00 0.87 0.00 0.00 54.58 53.11 2jkt n ASN 75 Cb 0.05 -1.16 0.00 0.00 -1.02 0.00 0.00 39.78 37.65 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 2.66 0.00 0.97 3.10 9.36 -0.61 -4.88 117.16 127.77 2jkt n TYR 76 Ca 0.36 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.69 2jkt n TYR 76 Cb 0.71 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.36 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 4.53 -0.50 2.98 0.00 0.04 -1.92 120.51 125.63 2jkt n ALA 77 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 53.44 52.95 2jkt n ALA 77 Cb 0.00 -0.83 0.34 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.52 3.96 0.00 0.00 5.02 -1.18 -3.61 118.16 120.83 2jkt n LYS 78 Ca 0.04 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 2jkt n LYS 78 Cb 0.34 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.72 0.00 -2.67 4.39 2.88 -1.24 -4.93 113.62 112.76 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 0.01 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 -1.77 2.29 0.18 -1.46 1.13 -0.81 -4.93 117.38 112.00 2jkt n GLN 80 Ca 0.00 -3.95 0.18 0.00 -1.94 0.00 0.00 57.00 51.29 2jkt n GLN 80 Cb 0.00 -1.81 0.74 0.00 0.11 0.00 0.00 30.24 29.29 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 2.83 0.00 -0.02 -1.09 0.13 -1.72 0.11 132.00 132.23 2jkt h PRO 81 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 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 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.82 2jkt h ASP 82 N 0.00 0.20 0.00 1.44 3.32 -1.91 -2.79 116.42 116.68 2jkt h ASP 82 Ca 0.13 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.46 2jkt h ASP 82 Cb 1.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.50 2jkt h ASP 82 CO -0.00 0.89 0.00 0.23 -1.72 0.00 0.00 179.24 178.63 2jkt n MET 83 N -4.56 0.84 -0.09 3.56 2.81 0.29 -3.56 117.12 116.40 2jkt n MET 83 Ca -0.09 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.66 2jkt n MET 83 Cb 0.45 -1.05 -0.06 0.00 -0.71 0.00 0.00 33.22 31.86 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 -0.55 0.70 0.00 3.04 0.00 -0.66 -4.42 120.51 118.62 2jkt n ALA 84 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2jkt n ALA 84 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -4.49 0.12 0.50 0.00 5.41 -1.11 -1.52 119.36 118.27 2jkt n ILE 85 Ca -0.22 0.03 0.13 0.00 1.00 0.00 0.00 62.75 63.70 2jkt n ILE 85 Cb 0.51 -1.03 0.41 0.00 -0.71 0.00 0.00 39.64 38.81 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 -0.16 0.38 2.86 -1.78 -3.08 114.93 113.15 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 -1.84 2.52 -0.33 6.32 0.00 -0.58 -4.67 120.51 121.93 2jkt n ALA 87 Ca 0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.92 2jkt n ALA 87 Cb 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 2.18 0.04 -0.17 0.00 -1.51 -1.77 0.16 116.25 115.19 2jkt h VAL 88 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.52 2jkt h VAL 88 Cb 0.48 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 2jkt h VAL 88 CO 0.00 0.00 0.26 -0.55 -1.23 0.00 0.00 177.57 176.05 2jkt h ASN 89 N -0.07 0.00 0.79 4.19 -1.07 -1.89 -0.65 115.58 116.88 2jkt h ASN 89 Ca 0.27 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.43 2jkt h ASN 89 Cb 0.56 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.77 2jkt h ASN 89 CO -0.88 0.00 -1.32 0.28 0.07 0.00 0.00 177.43 175.57 2jkt h SER 90 N 0.00 0.00 0.31 6.14 0.02 -1.05 -2.78 113.55 116.19 2jkt h SER 90 Ca 0.08 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.79 2jkt h SER 90 Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2jkt h SER 90 CO -0.00 0.79 -0.99 -0.26 -1.14 0.00 0.00 176.83 175.23 2jkt h PHE 91 N 0.00 0.67 -0.13 3.45 0.04 -0.97 -3.03 116.94 116.98 2jkt h PHE 91 Ca -0.16 -0.38 -0.14 0.00 2.80 0.00 0.00 57.97 60.09 2jkt h PHE 91 Cb 1.74 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.81 2jkt h PHE 91 CO 0.00 1.21 -0.54 0.28 -0.60 0.00 0.00 178.31 178.66 2jkt h VAL 92 N 0.24 1.35 0.04 -0.55 2.07 -1.35 -2.50 116.25 115.54 2jkt h VAL 92 Ca -0.09 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.63 2jkt h VAL 92 Cb 1.64 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 2jkt h VAL 92 CO 0.17 0.55 -0.18 0.50 0.02 0.00 0.00 177.57 178.63 2jkt h LYS 93 N 0.28 -0.31 0.00 1.57 3.64 -1.50 -1.10 116.57 119.16 2jkt h LYS 93 Ca 0.01 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jkt h LYS 93 Cb 1.04 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2jkt h LYS 93 CO 0.09 -0.21 0.00 -0.25 -2.27 0.00 0.00 179.45 176.82 2jkt n ASP 94 N -5.31 0.48 0.14 4.20 9.92 -1.13 -1.02 116.55 123.82 2jkt n ASP 94 Ca -0.06 0.65 0.12 0.00 -0.53 0.00 0.00 54.79 54.97 2jkt n ASP 94 Cb 0.23 -0.74 0.50 0.00 -0.64 0.00 0.00 41.12 40.47 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 -2.29 0.65 -0.79 0.00 4.71 -0.19 -4.90 120.64 117.82 2jkt n GLU 96 Ca 0.02 0.19 -0.29 0.00 -0.01 0.00 0.00 57.16 57.08 2jkt n GLU 96 Cb 0.24 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 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 -3.51 -0.38 0.10 1.62 4.64 -1.06 -4.84 116.55 113.12 2jkt n ASP 97 Ca -0.46 0.63 -0.12 0.00 -1.38 0.00 0.00 54.79 53.45 2jkt n ASP 97 Cb 0.97 -0.51 -0.06 0.00 -1.04 0.00 0.00 41.12 40.47 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 1.04 -0.25 -5.86 -0.67 0.13 -1.95 -3.41 132.00 121.03 2jkt h PRO 98 Ca -0.21 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.34 2jkt h PRO 98 Cb 0.79 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2jkt h PRO 98 CO 0.33 -0.17 1.50 -1.71 -0.23 0.00 0.00 178.00 177.73 2jkt n ASN 99 N -5.25 2.40 0.28 1.44 5.15 -1.26 -4.81 115.26 113.20 2jkt n ASN 99 Ca -0.07 0.18 0.17 0.00 -0.60 0.00 0.00 54.58 54.26 2jkt n ASN 99 Cb 0.17 -1.39 0.94 0.00 -0.53 0.00 0.00 39.78 38.97 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 14.41 0.00 -0.38 1.20 0.11 -1.98 -0.56 132.00 144.80 2jkt h PRO 100 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 2jkt h PRO 100 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2jkt h PRO 100 CO 1.05 0.00 0.12 -0.07 -0.21 0.00 0.00 178.00 178.88 2jkt h LEU 101 N 0.00 0.56 0.00 2.35 3.38 -1.94 0.21 115.31 119.88 2jkt h LEU 101 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jkt h LEU 101 Cb 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jkt h LEU 101 CO -0.00 0.62 -0.06 2.30 0.09 0.00 0.00 178.44 181.39 2jkt n ILE 102 N -4.61 0.32 0.06 1.22 -5.35 -0.27 -0.80 119.36 109.93 2jkt n ILE 102 Ca -0.01 -0.16 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 2jkt n ILE 102 Cb 0.18 -0.48 -0.07 0.00 -1.74 0.00 0.00 39.64 37.53 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 -0.24 -0.54 6.28 3.08 -0.90 -2.90 114.38 119.16 2jkt h ARG 103 Ca 0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 2jkt h ARG 103 Cb 0.64 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 2jkt h ARG 103 CO 0.00 0.14 0.11 0.00 -1.07 0.00 0.00 179.97 179.15 2jkt h ALA 104 N -0.51 0.61 -0.91 0.04 0.00 -0.59 -2.58 119.26 115.33 2jkt h ALA 104 Ca -0.03 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2jkt h ALA 104 Cb 0.48 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2jkt h ALA 104 CO 0.04 -0.30 0.59 1.25 0.00 0.00 0.00 179.25 180.83 2jkt h LEU 105 N 0.25 0.88 -0.86 0.00 5.85 -1.06 0.50 115.31 120.87 2jkt h LEU 105 Ca 0.27 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 2jkt h LEU 105 Cb 0.38 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jkt h LEU 105 CO -0.35 0.55 -0.40 0.00 -0.34 0.00 0.00 178.44 177.90 2jkt h ALA 106 N 1.52 1.03 0.05 1.25 0.00 -1.24 -2.66 119.26 119.20 2jkt h ALA 106 Ca 0.40 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jkt h ALA 106 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jkt h ALA 106 CO -0.16 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 179.95 2jkt h VAL 107 N 0.30 1.23 -0.35 0.00 2.07 -1.09 -2.08 116.25 116.33 2jkt h VAL 107 Ca 0.03 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 66.02 2jkt h VAL 107 Cb 0.83 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2jkt h VAL 107 CO 0.07 0.37 0.27 -0.09 0.02 0.00 0.00 177.57 178.21 2jkt h ARG 108 N -0.88 0.00 0.12 1.57 2.43 -0.98 -1.33 114.38 115.31 2jkt h ARG 108 Ca -0.01 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.82 2jkt h ARG 108 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2jkt h ARG 108 CO 0.01 0.00 -1.81 1.79 -1.51 0.00 0.00 179.97 178.45 2jkt h THR 109 N 0.00 0.83 -0.53 0.20 1.35 -1.59 -3.36 112.91 109.80 2jkt h THR 109 Ca 0.17 -2.51 0.08 0.00 -0.55 0.00 0.00 66.41 63.59 2jkt h THR 109 Cb 0.71 2.61 -0.06 0.00 -1.73 0.00 0.00 68.15 69.68 2jkt h THR 109 CO -0.00 0.83 0.19 -0.03 -0.25 0.00 0.00 175.52 176.25 2jkt h MET 110 N 0.07 0.36 0.00 4.72 4.05 -0.53 -1.52 114.93 122.08 2jkt h MET 110 Ca -0.35 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2jkt h MET 110 Cb 2.05 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 2jkt h MET 110 CO 0.12 0.24 0.00 0.78 0.23 0.00 0.00 176.91 178.28 2jkt h GLY 111 N 0.37 0.00 1.84 1.39 0.00 -1.52 -2.78 103.07 102.36 2jkt h GLY 111 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jkt h GLY 111 CO -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.26 2jkt s ILE 113 N -2.88 3.83 -1.14 0.00 1.01 -1.05 -4.18 121.20 116.79 2jkt s ILE 113 Ca 0.18 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 2jkt s ILE 113 Cb 0.19 -4.88 0.06 0.00 0.01 0.00 0.00 42.46 37.84 2jkt s ILE 113 CO 0.52 -1.78 1.56 -0.13 0.00 0.00 0.00 174.94 175.11 2jkt s ARG 114 N 5.37 3.76 -0.08 2.79 0.52 -1.26 -4.87 118.95 125.18 2jkt s ARG 114 Ca 0.49 -1.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.13 2jkt s ARG 114 Cb -0.02 -5.42 0.03 0.00 0.52 0.00 0.00 34.95 30.06 2jkt s ARG 114 CO -0.06 -2.21 0.18 0.08 0.02 0.00 0.00 175.30 173.31 2jkt s VAL 115 N 4.57 -0.03 -0.16 3.52 1.01 -1.26 -4.95 120.40 123.10 2jkt s VAL 115 Ca 0.49 0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.73 2jkt s VAL 115 Cb 0.01 -0.28 0.16 0.00 0.00 0.00 0.00 36.38 36.27 2jkt s VAL 115 CO -0.02 0.04 1.42 -0.90 0.00 0.00 0.00 175.10 175.64 2jkt n ASP 116 N 3.78 0.41 0.18 3.32 3.85 -1.26 -1.55 116.55 125.27 2jkt n ASP 116 Ca -0.21 0.63 0.08 0.00 -0.71 0.00 0.00 54.79 54.58 2jkt n ASP 116 Cb 0.55 -0.64 0.10 0.00 -1.35 0.00 0.00 41.12 39.78 2jkt n ASP 116 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 2jkt h LYS 117 N 0.00 0.00 -0.01 0.11 1.79 -1.95 -3.27 116.57 113.24 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 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2jkt h LYS 117 CO 0.00 0.20 -0.21 1.51 -1.08 0.00 0.00 179.45 179.87 2jkt n ILE 118 N -3.13 0.00 0.33 1.86 3.06 -0.59 -3.95 119.36 116.94 2jkt n ILE 118 Ca 0.03 -0.08 0.21 0.00 -2.50 0.00 0.00 62.75 60.41 2jkt n ILE 118 Cb 0.62 0.15 1.16 0.00 0.54 0.00 0.00 39.64 42.11 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 0.79 0.09 0.01 9.51 1.35 -1.72 -2.69 112.91 120.24 2jkt h THR 119 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.49 2jkt h THR 119 Cb 0.45 0.99 -0.06 0.00 -1.73 0.00 0.00 68.15 67.79 2jkt h THR 119 CO 0.00 0.00 -2.32 -0.62 -0.25 0.00 0.00 175.52 172.33 2jkt n GLU 120 N -3.20 0.68 0.13 4.72 1.02 -1.25 -4.06 120.64 118.68 2jkt n GLU 120 Ca -0.03 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 2jkt n GLU 120 Cb 0.08 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.01 -0.37 0.00 -0.32 -1.99 -1.72 -3.32 116.97 109.25 2jkt h TYR 121 Ca -0.52 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.20 2jkt h TYR 121 Cb 2.09 0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.95 2jkt h TYR 121 CO 0.02 -0.06 0.00 -0.11 -0.00 0.00 0.00 178.16 178.00 2jkt n LEU 122 N -5.05 0.64 -0.07 3.88 7.94 -1.04 -3.96 117.00 119.35 2jkt n LEU 122 Ca -0.08 0.73 -0.09 0.00 -1.11 0.00 0.00 56.01 55.46 2jkt n LEU 122 Cb 0.24 -0.72 -0.03 0.00 0.53 0.00 0.00 43.42 43.44 2jkt n LEU 122 CO 0.22 -0.78 0.63 0.00 -1.11 0.00 0.00 177.39 176.34 2jkt h GLU 124 N -0.33 0.25 -0.06 0.00 3.07 -1.84 -3.03 114.58 112.65 2jkt h GLU 124 Ca 0.14 -0.43 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 2jkt h GLU 124 Cb 0.55 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2jkt h GLU 124 CO -0.47 1.11 -0.06 -1.35 -1.40 0.00 0.00 179.01 176.84 2jkt h PRO 125 N 0.07 0.08 -0.02 2.33 0.11 -1.77 -1.64 132.00 131.16 2jkt h PRO 125 Ca -0.26 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 2jkt h PRO 125 Cb 2.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 33.11 2jkt h PRO 125 CO 0.16 0.15 -0.83 1.25 -0.21 0.00 0.00 178.00 178.52 2jkt h LEU 126 N 0.08 0.34 -2.15 2.35 6.46 -1.58 -2.14 115.31 118.68 2jkt h LEU 126 Ca 0.02 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2jkt h LEU 126 Cb 0.15 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2jkt h LEU 126 CO 0.01 1.03 0.02 -0.09 -0.62 0.00 0.00 178.44 178.79 2jkt h ARG 127 N 0.17 0.00 0.04 1.25 9.65 -1.19 0.56 114.38 124.86 2jkt h ARG 127 Ca -0.04 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.65 2jkt h ARG 127 Cb 1.43 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.99 2jkt h ARG 127 CO 0.13 0.00 -1.00 -0.22 2.80 0.00 0.00 179.97 181.69 2jkt h LYS 128 N 0.00 0.08 0.00 0.20 3.64 -1.30 -3.33 116.57 115.85 2jkt h LYS 128 Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2jkt h LYS 128 Cb 0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2jkt h LYS 128 CO -0.00 1.06 0.00 0.00 -2.27 0.00 0.00 179.45 178.24 2jkt n LEU 130 N -2.40 0.40 -2.03 0.00 4.77 0.17 -3.12 117.00 114.80 2jkt n LEU 130 Ca 0.02 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.60 2jkt n LEU 130 Cb 0.23 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2jkt n LEU 130 CO 0.21 -0.48 0.21 0.29 -1.33 0.00 0.00 177.39 176.28 2jkt n LYS 131 N -1.95 0.79 -0.89 3.23 5.02 -0.80 -4.95 118.16 118.59 2jkt n LYS 131 Ca 0.02 -2.10 -0.29 0.00 -2.02 0.00 0.00 58.31 53.92 2jkt n LYS 131 Cb 0.18 -0.30 0.19 0.00 -0.02 0.00 0.00 35.03 35.08 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 -2.18 2.36 -0.03 4.39 -1.08 -0.75 -4.99 116.67 114.39 2jkt s ASP 132 Ca 0.20 1.55 -0.26 0.00 -0.52 0.00 0.00 52.55 53.52 2jkt s ASP 132 Cb 0.30 -2.22 -0.21 0.00 -1.46 0.00 0.00 42.92 39.33 2jkt s ASP 132 CO -0.09 -3.35 1.21 -0.33 0.52 0.00 0.00 175.17 173.13 2jkt h GLU 133 N -2.04 0.02 -6.30 4.34 5.08 -1.92 -3.45 114.58 110.31 2jkt h GLU 133 Ca -0.54 -0.01 -0.55 0.00 -1.00 0.00 0.00 59.36 57.26 2jkt h GLU 133 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2jkt h GLU 133 CO 0.52 0.56 0.64 0.34 -1.00 0.00 0.00 179.01 180.07 2jkt s ASP 134 N -5.78 7.12 0.51 1.42 -1.08 -1.26 -4.96 116.67 112.64 2jkt s ASP 134 Ca -0.16 1.73 0.18 0.00 -0.52 0.00 0.00 52.55 53.78 2jkt s ASP 134 Cb 0.01 -2.56 1.28 0.00 -1.46 0.00 0.00 42.92 40.19 2jkt s ASP 134 CO 0.68 -0.53 2.11 -0.65 0.52 0.00 0.00 175.17 177.31 2jkt h PRO 135 N 7.29 0.00 0.00 4.34 0.11 -1.98 -1.14 132.00 140.62 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 0.07 0.00 0.98 -0.21 0.00 0.00 178.00 179.70 2jkt n TYR 136 N -4.31 0.50 -0.05 0.65 9.36 -1.26 -0.33 117.16 121.72 2jkt n TYR 136 Ca -0.03 0.21 -0.21 0.00 3.32 0.00 0.00 57.90 61.19 2jkt n TYR 136 Cb 0.15 -0.84 -0.13 0.00 -0.63 0.00 0.00 39.34 37.89 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 -1.96 1.67 -0.01 2.97 0.31 -0.49 -3.98 118.33 116.83 2jkt n VAL 137 Ca 0.02 -0.51 -0.02 0.00 -0.01 0.00 0.00 64.34 63.81 2jkt n VAL 137 Cb 0.16 -1.74 0.23 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.20 0.54 -0.63 5.55 3.08 -0.95 -0.34 114.38 121.43 2jkt h ARG 138 Ca -0.46 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.34 2jkt h ARG 138 Cb 1.86 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.82 2jkt h ARG 138 CO -0.03 0.65 0.04 1.57 -1.07 0.00 0.00 179.97 181.13 2jkt h LYS 139 N 0.50 1.07 -0.67 0.04 2.10 -0.90 -1.46 116.57 117.26 2jkt h LYS 139 Ca 0.09 -0.31 -0.06 0.00 -2.00 0.00 0.00 60.65 58.37 2jkt h LYS 139 Cb 0.50 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 2jkt h LYS 139 CO 0.03 1.02 0.18 1.15 -2.00 0.00 0.00 179.45 179.82 2jkt h THR 140 N 0.99 1.26 -0.25 0.07 2.02 -1.58 -3.02 112.91 112.39 2jkt h THR 140 Ca 0.18 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 2jkt h THR 140 Cb 0.51 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2jkt h THR 140 CO 0.02 0.35 -0.13 0.00 0.37 0.00 0.00 175.52 176.14 2jkt h ALA 141 N 1.07 0.36 -0.15 6.16 0.00 -0.92 -2.11 119.26 123.67 2jkt h ALA 141 Ca 0.21 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jkt h ALA 141 Cb 0.34 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2jkt h ALA 141 CO -0.00 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.19 2jkt h ALA 142 N 0.73 -0.29 0.00 0.00 0.00 -1.15 0.82 119.26 119.38 2jkt h ALA 142 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jkt h ALA 142 Cb 0.64 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jkt h ALA 142 CO 0.04 -0.75 0.00 1.33 0.00 0.00 0.00 179.25 179.87 2jkt n VAL 143 N -5.39 0.57 0.20 0.00 0.24 -1.17 -1.47 118.33 111.30 2jkt n VAL 143 Ca -0.03 0.06 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 2jkt n VAL 143 Cb 0.31 -0.79 0.33 0.00 -1.47 0.00 0.00 33.84 32.22 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 1.23 -0.46 0.00 2.07 -0.12 -2.26 116.25 116.72 2jkt h VAL 145 Ca -0.00 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 2jkt h VAL 145 Cb 0.92 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2jkt h VAL 145 CO 0.04 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.77 2jkt h ALA 146 N 0.84 0.95 0.00 1.67 0.00 -1.60 0.89 119.26 122.00 2jkt h ALA 146 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2jkt h ALA 146 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jkt h ALA 146 CO 0.01 0.62 0.00 1.17 0.00 0.00 0.00 179.25 181.04 2jkt n LYS 147 N -4.16 0.12 -0.08 0.00 4.81 -0.73 -1.96 118.16 116.16 2jkt n LYS 147 Ca 0.01 0.54 -0.12 0.00 -0.87 0.00 0.00 58.31 57.87 2jkt n LYS 147 Cb 0.37 -1.84 -0.08 0.00 0.02 0.00 0.00 35.03 33.51 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 -2.08 2.92 0.20 3.14 7.94 -0.80 -4.32 117.00 124.00 2jkt n LEU 148 Ca 0.00 -0.08 0.18 0.00 -1.11 0.00 0.00 56.01 55.00 2jkt n LEU 148 Cb 0.09 -0.58 0.82 0.00 0.53 0.00 0.00 43.42 44.28 2jkt n LEU 148 CO 0.11 0.77 1.15 -0.74 -1.11 0.00 0.00 177.39 177.57 2jkt h HIS 149 N -0.02 0.00 -0.33 1.96 2.76 -0.60 0.91 115.15 119.83 2jkt h HIS 149 Ca -0.38 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2jkt h HIS 149 Cb 1.57 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.52 2jkt h HIS 149 CO 0.02 0.00 0.19 0.22 -1.30 0.00 0.00 177.93 177.06 2jkt h ASP 150 N 0.00 0.40 -0.59 3.26 -0.00 -1.59 -1.84 116.42 116.07 2jkt h ASP 150 Ca 0.10 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.03 56.99 2jkt h ASP 150 Cb 0.56 -0.10 -0.04 0.00 -0.00 0.00 0.00 39.33 39.74 2jkt h ASP 150 CO -0.00 0.36 0.08 2.30 -0.00 0.00 0.00 179.24 181.97 2jkt n ILE 151 N -4.80 2.78 0.00 2.25 -5.35 0.11 -4.64 119.36 109.71 2jkt n ILE 151 Ca -0.01 -1.54 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 2jkt n ILE 151 Cb 0.07 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 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 0.27 0.00 -0.26 7.28 2.85 -0.03 -4.71 115.26 120.66 2jkt n ASN 152 Ca 0.31 0.00 0.31 0.00 -0.11 0.00 0.00 54.58 55.09 2jkt n ASN 152 Cb 1.23 0.00 0.71 0.00 1.24 0.00 0.00 39.78 42.96 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 2.89 0.31 5.20 0.00 -1.53 -0.16 119.26 125.96 2jkt h ALA 153 Ca 0.00 -0.02 -0.02 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 -1.19 -0.15 0.37 0.00 0.00 0.00 179.25 178.28 2jkt h GLN 154 N 0.05 -0.41 -0.98 0.00 4.15 -1.95 -3.16 115.11 112.83 2jkt h GLN 154 Ca 0.50 0.03 0.32 0.00 0.77 0.00 0.00 58.65 60.27 2jkt h GLN 154 Cb 1.91 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 29.54 2jkt h GLN 154 CO -0.04 -0.13 0.45 1.98 -1.93 0.00 0.00 178.83 179.15 2jkt h MET 155 N -1.02 0.20 -0.23 1.69 4.05 -1.43 0.34 114.93 118.52 2jkt h MET 155 Ca -0.04 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 2jkt h MET 155 Cb 0.46 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2jkt h MET 155 CO 0.07 0.13 -0.51 0.28 0.23 0.00 0.00 176.91 177.11 2jkt h VAL 156 N 0.20 1.30 0.00 -5.77 2.07 -1.57 -1.03 116.25 111.45 2jkt h VAL 156 Ca 0.71 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2jkt h VAL 156 Cb 1.65 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2jkt h VAL 156 CO -0.68 0.55 -0.29 -0.33 0.02 0.00 0.00 177.57 176.83 2jkt h GLU 157 N 0.51 0.00 0.00 1.57 5.08 -0.37 -3.06 114.58 118.32 2jkt h GLU 157 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jkt h GLU 157 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jkt h GLU 157 CO 0.10 0.29 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.92 2jkt h ASP 158 N 0.00 0.00 0.00 1.42 3.32 -0.68 -3.35 116.42 117.13 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 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2jkt h ASP 158 CO 0.04 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 2jkt n GLN 159 N -4.04 0.21 -0.57 3.56 1.13 -0.42 -4.75 117.38 112.50 2jkt n GLN 159 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2jkt n GLN 159 Cb 0.02 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.03 1.58 0.36 1.08 0.00 -1.25 -4.86 105.19 102.08 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 -0.42 1.61 0.05 -1.83 0.25 116.94 116.60 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 0.26 -0.07 -0.18 0.00 0.00 178.31 178.32 2jkt h LEU 162 N 0.00 0.49 -0.68 1.54 -0.00 -1.82 -0.64 115.31 114.19 2jkt h LEU 162 Ca 0.11 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 2jkt h LEU 162 Cb 0.73 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2jkt h LEU 162 CO -0.00 0.37 -0.42 0.44 -0.00 0.00 0.00 178.44 178.84 2jkt h ASP 163 N 0.56 0.00 -0.21 -0.43 3.32 -0.92 -2.85 116.42 115.89 2jkt h ASP 163 Ca 0.15 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 2jkt h ASP 163 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2jkt h ASP 163 CO -0.03 0.42 -0.06 -1.28 -1.72 0.00 0.00 179.24 176.57 2jkt h SER 164 N 0.00 0.41 -0.37 6.45 0.87 -0.78 -2.40 113.55 117.73 2jkt h SER 164 Ca -0.00 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2jkt h SER 164 Cb 1.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2jkt h SER 164 CO 0.05 0.69 0.17 -0.07 -0.53 0.00 0.00 176.83 177.14 2jkt h LEU 165 N 0.12 0.53 -2.13 2.23 4.07 -1.13 -0.90 115.31 118.11 2jkt h LEU 165 Ca 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jkt h LEU 165 Cb 0.51 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2jkt h LEU 165 CO 0.02 0.49 0.00 0.03 -1.08 0.00 0.00 178.44 177.90 2jkt h ARG 166 N 0.59 0.00 0.10 1.13 3.08 -1.30 -2.82 114.38 115.15 2jkt h ARG 166 Ca 0.15 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jkt h ARG 166 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2jkt h ARG 166 CO -0.02 0.00 -0.05 0.22 -1.07 0.00 0.00 179.97 179.06 2jkt h ASP 167 N 0.00 -0.12 0.00 7.04 3.58 -0.66 -3.34 116.42 122.92 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 0.29 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2jkt h ASP 167 CO 0.00 0.24 0.62 -0.07 -2.88 0.00 0.00 179.24 177.14 2jkt h LEU 168 N -0.78 0.00 -1.27 2.28 4.07 -1.19 0.61 115.31 119.03 2jkt h LEU 168 Ca -0.01 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 2jkt h LEU 168 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2jkt h LEU 168 CO 0.02 0.00 -0.27 0.16 -1.08 0.00 0.00 178.44 177.27 2jkt h ILE 169 N 0.00 0.77 -0.22 1.22 -0.00 -1.65 -0.61 117.51 117.01 2jkt h ILE 169 Ca 0.00 -1.14 0.00 0.00 -0.00 0.00 0.00 64.86 63.72 2jkt h ILE 169 Cb 1.23 1.71 0.00 0.00 -0.00 0.00 0.00 36.82 39.76 2jkt h ILE 169 CO 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 178.15 178.42 2jkt n ALA 170 N -2.29 2.49 -0.56 0.16 0.00 0.21 -4.87 120.51 115.65 2jkt n ALA 170 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.50 2jkt n ALA 170 Cb 0.41 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.05 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 0.61 -1.00 0.00 0.00 4.64 -0.23 -5.02 116.55 115.55 2jkt n ASP 171 Ca 0.17 0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.64 2jkt n ASP 171 Cb 0.39 -1.33 0.00 0.00 -1.04 0.00 0.00 41.12 39.14 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 -4.55 0.00 -4.68 1.67 7.64 -1.26 -4.77 113.62 107.68 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 -1.54 6.57 0.53 6.43 4.22 -1.26 -4.85 114.94 125.03 2jkt s ASN 173 Ca 0.00 2.49 0.32 0.00 -2.14 0.00 0.00 52.86 53.52 2jkt s ASN 173 Cb 0.00 -2.55 1.46 0.00 1.28 0.00 0.00 41.25 41.45 2jkt s ASN 173 CO 0.00 -0.94 1.85 -0.65 -2.04 0.00 0.00 177.10 175.32 2jkt h PRO 174 N 9.15 0.04 -0.01 3.55 0.11 -1.96 -1.06 132.00 141.82 2jkt h PRO 174 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jkt h PRO 174 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jkt h PRO 174 CO 0.94 0.03 0.05 1.98 -0.21 0.00 0.00 178.00 180.79 2jkt h MET 175 N 0.04 0.00 0.00 1.05 4.05 -1.90 0.54 114.93 118.71 2jkt h MET 175 Ca 0.48 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.61 2jkt h MET 175 Cb 1.85 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.60 2jkt h MET 175 CO -0.03 0.00 -1.63 0.28 0.23 0.00 0.00 176.91 175.76 2jkt n VAL 176 N -3.16 1.53 -0.25 -5.77 0.31 -0.41 -3.75 118.33 106.83 2jkt n VAL 176 Ca -0.03 -0.13 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 2jkt n VAL 176 Cb 0.12 -2.01 0.10 0.00 -0.91 0.00 0.00 33.84 31.14 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 -1.00 0.29 -0.16 2.52 2.07 -1.43 -0.67 116.25 117.87 2jkt h VAL 177 Ca -0.45 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2jkt h VAL 177 Cb 1.38 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2jkt h VAL 177 CO -0.27 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.07 2jkt h ALA 178 N 1.72 -0.54 -0.08 1.67 0.00 -0.11 -0.73 119.26 121.18 2jkt h ALA 178 Ca 0.36 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2jkt h ALA 178 Cb 0.57 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jkt h ALA 178 CO -0.73 -0.66 0.06 -0.91 0.00 0.00 0.00 179.25 177.01 2jkt h ASN 179 N -0.20 0.00 -0.06 0.00 2.35 -1.49 -2.40 115.58 113.78 2jkt h ASN 179 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2jkt h ASN 179 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2jkt h ASN 179 CO -0.26 0.00 -0.24 0.00 -1.65 0.00 0.00 177.43 175.27 2jkt h ALA 180 N 1.96 0.11 -0.41 -0.83 0.00 -0.74 -1.55 119.26 117.80 2jkt h ALA 180 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2jkt h ALA 180 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jkt h ALA 180 CO -0.00 0.11 0.28 0.28 0.00 0.00 0.00 179.25 179.92 2jkt h VAL 181 N -0.24 0.99 0.02 0.00 2.07 -0.71 -0.42 116.25 117.95 2jkt h VAL 181 Ca -0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jkt h VAL 181 Cb 0.89 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2jkt h VAL 181 CO 0.05 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 2jkt h ALA 182 N 1.77 -0.02 -0.49 1.67 0.00 -1.41 -2.26 119.26 118.52 2jkt h ALA 182 Ca 0.17 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jkt h ALA 182 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2jkt h ALA 182 CO -0.04 -0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.49 2jkt h ALA 183 N -0.16 1.92 -0.11 0.00 0.00 -1.16 -1.23 119.26 118.53 2jkt h ALA 183 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2jkt h ALA 183 Cb 0.74 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jkt h ALA 183 CO 0.00 -0.00 -0.46 1.25 0.00 0.00 0.00 179.25 180.03 2jkt h LEU 184 N 0.42 0.59 -1.34 0.00 5.85 -1.12 -2.92 115.31 116.78 2jkt h LEU 184 Ca 0.21 -0.63 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2jkt h LEU 184 Cb 0.31 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2jkt h LEU 184 CO -0.05 1.13 -0.15 0.77 -0.34 0.00 0.00 178.44 179.79 2jkt h SER 185 N 0.09 0.00 0.94 1.25 4.64 -1.09 -1.21 113.55 118.17 2jkt h SER 185 Ca -0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2jkt h SER 185 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jkt h SER 185 CO 0.10 0.15 -0.38 -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 -1.19 -2.23 114.58 120.74 2jkt h GLU 186 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2jkt h GLU 186 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2jkt h GLU 186 CO 0.02 0.38 -0.45 0.82 -0.73 0.00 0.00 179.01 179.05 2jkt h ILE 187 N 0.00 0.90 -1.04 2.32 2.04 -1.27 -3.27 117.51 117.19 2jkt h ILE 187 Ca -0.00 -1.82 0.30 0.00 1.00 0.00 0.00 64.86 64.33 2jkt h ILE 187 Cb 0.96 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 2jkt h ILE 187 CO 0.05 0.31 0.74 -1.28 0.00 0.00 0.00 178.15 177.96 2jkt h SER 188 N -1.00 0.07 0.09 1.72 0.87 -1.28 0.62 113.55 114.64 2jkt h SER 188 Ca -0.10 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2jkt h SER 188 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2jkt h SER 188 CO -0.06 0.02 -0.04 -0.08 -0.53 0.00 0.00 176.83 176.13 2jkt h GLU 189 N 0.06 -0.12 0.00 2.24 4.81 -1.54 -3.03 114.58 117.00 2jkt h GLU 189 Ca 0.51 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2jkt h GLU 189 Cb 1.91 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2jkt h GLU 189 CO -0.05 0.28 0.03 1.03 -0.73 0.00 0.00 179.01 179.58 2jkt h SER 190 N -0.55 0.00 -2.98 1.04 0.87 -0.96 -3.09 113.55 107.88 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 0.46 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.01 2jkt h SER 190 CO 0.02 0.00 -0.71 -1.00 -0.53 0.00 0.00 176.83 174.61 2jkt s HIS 191 N -4.04 2.68 0.04 2.24 3.76 -0.72 -5.00 115.29 114.25 2jkt s HIS 191 Ca -0.04 -2.95 -0.23 0.00 -0.15 0.00 0.00 55.06 51.68 2jkt s HIS 191 Cb 0.11 -2.11 -0.16 0.00 1.11 0.00 0.00 32.58 31.53 2jkt s HIS 191 CO 0.36 -0.66 1.51 -1.35 -0.85 0.00 0.00 174.74 173.75 2jkt h PRO 192 N 5.65 0.08 -0.06 8.40 0.11 -1.49 -3.20 132.00 141.49 2jkt h PRO 192 Ca 0.16 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 2jkt h PRO 192 Cb 0.82 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2jkt h PRO 192 CO 0.59 0.31 -0.57 -2.95 -0.21 0.00 0.00 178.00 175.17 2jkt h ASN 193 N -0.16 0.21 0.00 -2.05 -0.00 -1.91 -3.22 115.58 108.44 2jkt h ASN 193 Ca 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.20 2jkt h ASN 193 Cb 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 2jkt h ASN 193 CO 0.00 0.74 0.09 0.28 -0.00 0.00 0.00 177.43 178.54 2jkt h SER 194 N 0.14 0.00 -6.00 6.14 0.02 -1.91 -3.46 113.55 108.49 2jkt h SER 194 Ca -0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 2jkt h SER 194 Cb 1.05 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.67 2jkt h SER 194 CO 0.09 0.00 -0.83 0.59 -1.14 0.00 0.00 176.83 175.53 2jkt n ASN 195 N -2.86 -1.87 0.25 3.07 4.13 -1.22 -4.89 115.26 111.86 2jkt n ASN 195 Ca -0.02 -0.80 0.17 0.00 1.68 0.00 0.00 54.58 55.60 2jkt n ASN 195 Cb 0.14 -4.22 0.68 0.00 -1.54 0.00 0.00 39.78 34.84 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 -1.82 0.00 0.02 3.41 3.38 -1.87 -3.10 115.31 115.33 2jkt h LEU 196 Ca -0.61 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.04 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 0.54 0.00 -1.77 0.18 0.09 0.00 0.00 178.44 177.48 2jkt n LEU 197 N -2.92 2.06 0.00 1.67 4.77 -1.26 -4.95 117.00 116.37 2jkt n LEU 197 Ca 0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2jkt n LEU 197 Cb 0.28 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2jkt n LEU 197 CO 0.25 0.48 0.00 -0.90 -1.33 0.00 0.00 177.39 175.89 2jkt n ASP 198 N -4.18 0.00 -3.21 -1.43 5.75 -1.17 -4.77 116.55 107.54 2jkt n ASP 198 Ca -0.39 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.15 2jkt n ASP 198 Cb 0.81 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.92 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 -5.09 -4.93 -2.12 7.99 -1.26 -5.01 117.00 106.59 2jkt n LEU 199 Ca 0.00 0.15 -0.26 0.00 -0.01 0.00 0.00 56.01 55.88 2jkt n LEU 199 Cb 0.00 -2.47 -0.02 0.00 -0.11 0.00 0.00 43.42 40.82 2jkt n LEU 199 CO 0.00 -1.11 0.14 0.54 -1.51 0.00 0.00 177.39 175.45 2jkt s ASN 200 N -2.05 6.37 0.24 -1.43 4.22 -1.26 -4.93 114.94 116.10 2jkt s ASN 200 Ca 0.31 0.52 0.08 0.00 -2.14 0.00 0.00 52.86 51.63 2jkt s ASN 200 Cb -0.05 -2.06 0.43 0.00 1.28 0.00 0.00 41.25 40.85 2jkt s ASN 200 CO 0.83 -0.19 1.08 -2.65 -2.04 0.00 0.00 177.10 174.12 2jkt n PRO 201 N -1.19 0.06 -0.13 3.55 -0.02 -1.26 -1.73 135.00 134.28 2jkt n PRO 201 Ca -0.04 0.47 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 2jkt n PRO 201 Cb 0.55 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.80 0.63 0.00 -0.52 -0.00 -1.26 -4.33 117.38 110.10 2jkt n GLN 202 Ca -0.01 0.20 0.00 0.00 -0.00 0.00 0.00 57.00 57.20 2jkt n GLN 202 Cb 0.37 -1.52 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 -3.66 0.00 0.09 2.61 6.94 -0.70 -2.65 115.26 117.89 2jkt n ASN 203 Ca -0.49 -1.87 -0.16 0.00 -0.02 0.00 0.00 54.58 52.04 2jkt n ASN 203 Cb 0.95 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 38.26 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 1.42 0.00 1.53 6.09 -1.67 -3.14 117.51 121.75 2jkt h ILE 204 Ca 0.00 -2.75 -0.08 0.00 -1.37 0.00 0.00 64.86 60.65 2jkt h ILE 204 Cb 0.00 2.74 -0.01 0.00 0.47 0.00 0.00 36.82 40.02 2jkt h ILE 204 CO 0.00 0.81 -0.39 0.78 -3.07 0.00 0.00 178.15 176.28 2jkt h ASN 205 N 0.16 0.00 -0.04 2.19 2.35 -1.75 0.10 115.58 118.58 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 1.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.20 2jkt h ASN 205 CO 0.20 0.39 -0.13 0.50 -1.65 0.00 0.00 177.43 176.74 2jkt h LYS 206 N 0.00 -0.13 0.00 0.81 3.64 -1.64 -3.02 116.57 116.23 2jkt h LYS 206 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jkt h LYS 206 Cb 0.85 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2jkt h LYS 206 CO 0.05 -0.09 -0.21 1.47 -2.27 0.00 0.00 179.45 178.41 2jkt n LEU 207 N -3.26 0.49 0.00 5.20 -0.00 -1.19 -3.02 117.00 115.22 2jkt n LEU 207 Ca -0.01 0.39 0.05 0.00 -0.00 0.00 0.00 56.01 56.44 2jkt n LEU 207 Cb 0.09 -0.34 0.27 0.00 -0.00 0.00 0.00 43.42 43.44 2jkt n LEU 207 CO 0.02 -0.05 0.65 -0.11 -0.00 0.00 0.00 177.39 177.89 2jkt n LEU 208 N -1.87 0.00 -0.11 1.47 0.00 0.02 -2.94 117.00 113.57 2jkt n LEU 208 Ca 0.06 0.36 -0.15 0.00 0.00 0.00 0.00 56.01 56.28 2jkt n LEU 208 Cb 0.39 -0.36 -0.11 0.00 0.00 0.00 0.00 43.42 43.34 2jkt n LEU 208 CO 0.31 -0.23 -1.23 0.41 0.00 0.00 0.00 177.39 176.66 2jkt n THR 209 N -1.36 1.29 0.36 1.96 -1.04 -1.17 -4.32 114.28 110.00 2jkt n THR 209 Ca 0.04 -0.52 0.11 0.00 -2.04 0.00 0.00 64.05 61.65 2jkt n THR 209 Cb 0.10 -1.24 0.47 0.00 -1.82 0.00 0.00 70.33 67.84 2jkt n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jkt n ALA 210 N -3.12 1.55 0.30 2.41 0.00 -1.15 -1.97 120.51 118.52 2jkt n ALA 210 Ca -0.39 0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.32 2jkt n ALA 210 Cb 0.94 -1.34 0.87 0.00 0.00 0.00 0.00 19.45 19.91 2jkt n ALA 210 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jkt h LEU 211 N 0.00 0.00 -3.75 0.00 5.85 -1.72 -1.93 115.31 113.76 2jkt h LEU 211 Ca 0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 2jkt h LEU 211 Cb 0.28 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.09 2jkt h LEU 211 CO 0.00 0.02 0.66 0.59 -0.34 0.00 0.00 178.44 179.37 2jkt n ASN 212 N -3.17 6.81 0.00 1.25 3.02 -0.83 -4.76 115.26 117.58 2jkt n ASN 212 Ca -0.01 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.09 2jkt n ASN 212 Cb 0.22 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 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 -0.41 0.00 -1.22 3.52 1.02 -0.76 -5.05 120.64 117.73 2jkt n GLU 213 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2jkt n GLU 213 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 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 -0.42 0.00 0.04 0.00 5.66 -1.26 -3.51 114.28 114.80 2jkt n THR 215 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2jkt n THR 215 Cb 0.00 -0.14 -0.01 0.00 -1.55 0.00 0.00 70.33 68.63 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 -0.11 -6.64 1.09 4.11 -2.00 -3.32 114.58 107.70 2jkt h GLU 216 Ca 0.01 0.01 -0.58 0.00 0.07 0.00 0.00 59.36 58.86 2jkt h GLU 216 Cb 0.38 0.03 0.14 0.00 0.50 0.00 0.00 28.75 29.79 2jkt h GLU 216 CO 0.00 -0.07 0.06 0.91 0.07 0.00 0.00 179.01 179.98 2jkt n TRP 217 N -2.38 0.80 0.00 2.06 7.02 -1.26 -1.25 117.44 122.43 2jkt n TRP 217 Ca -0.01 0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.99 2jkt n TRP 217 Cb 0.05 -2.17 0.00 0.00 -2.42 0.00 0.00 31.31 26.77 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 1.31 2.93 0.20 6.99 0.00 -1.26 -4.66 105.19 110.70 2jkt n GLY 218 Ca 0.11 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 0.51 0.19 1.61 4.20 -1.21 0.21 115.11 120.62 2jkt h GLN 219 Ca 0.00 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 2jkt h GLN 219 Cb 0.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jkt h GLN 219 CO 0.00 1.00 -0.09 0.82 -0.67 0.00 0.00 178.83 179.89 2jkt h ILE 220 N 0.37 0.86 -0.52 2.54 2.04 -1.81 -1.01 117.51 119.98 2jkt h ILE 220 Ca -0.02 -0.25 0.11 0.00 1.00 0.00 0.00 64.86 65.70 2jkt h ILE 220 Cb 1.23 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2jkt h ILE 220 CO 0.12 0.06 0.36 -0.26 0.00 0.00 0.00 178.15 178.43 2jkt h PHE 221 N -0.38 0.26 0.10 1.37 0.05 -1.85 -0.90 116.94 115.59 2jkt h PHE 221 Ca -0.03 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 2jkt h PHE 221 Cb 0.29 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.16 2jkt h PHE 221 CO -0.03 0.12 -0.05 0.82 -0.18 0.00 0.00 178.31 178.99 2jkt h ILE 222 N 0.24 0.71 -0.82 -0.55 2.04 -0.80 -3.20 117.51 115.12 2jkt h ILE 222 Ca 0.25 -1.29 0.15 0.00 1.00 0.00 0.00 64.86 64.96 2jkt h ILE 222 Cb 0.65 1.27 -0.10 0.00 -0.74 0.00 0.00 36.82 37.91 2jkt h ILE 222 CO -0.05 0.21 0.39 -0.07 0.00 0.00 0.00 178.15 178.63 2jkt h LEU 223 N -0.96 0.43 -1.45 1.44 3.38 -0.91 0.53 115.31 117.78 2jkt h LEU 223 Ca -0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jkt h LEU 223 Cb 0.46 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jkt h LEU 223 CO 0.02 0.17 0.00 0.44 0.09 0.00 0.00 178.44 179.17 2jkt h ASP 224 N 0.55 0.00 0.54 -0.43 3.45 -1.27 -0.62 116.42 118.64 2jkt h ASP 224 Ca 0.45 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.62 2jkt h ASP 224 Cb 0.66 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 2jkt h ASP 224 CO -0.38 0.00 -1.51 0.00 -1.57 0.00 0.00 179.24 175.78 2jkt h LEU 226 N 0.04 0.00 -0.65 0.00 3.38 -0.47 -2.87 115.31 114.73 2jkt h LEU 226 Ca -0.22 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.88 2jkt h LEU 226 Cb 1.97 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.60 2jkt h LEU 226 CO 0.13 0.48 -0.14 0.28 0.09 0.00 0.00 178.44 179.27 2jkt h SER 227 N 0.00 -0.57 0.57 -0.43 0.02 -1.51 -1.04 113.55 110.60 2jkt h SER 227 Ca -0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jkt h SER 227 Cb 0.85 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jkt h SER 227 CO 0.06 -0.21 0.00 0.78 -1.14 0.00 0.00 176.83 176.32 2jkt h ASN 228 N 0.01 0.00 -4.13 3.07 -0.26 -1.68 -3.44 115.58 109.15 2jkt h ASN 228 Ca 0.32 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.57 2jkt h ASN 228 Cb 0.49 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.79 2jkt h ASN 228 CO -0.66 0.00 0.33 -0.47 -1.06 0.00 0.00 177.43 175.57 2jkt s TYR 229 N -3.82 3.53 -0.26 1.19 5.04 -0.39 -5.07 117.35 117.56 2jkt s TYR 229 Ca -0.01 1.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.90 2jkt s TYR 229 Cb 0.10 -2.67 0.15 0.00 0.35 0.00 0.00 41.96 39.89 2jkt s TYR 229 CO 0.47 -0.44 0.39 0.54 -1.34 0.00 0.00 175.55 175.17 2jkt s ASN 230 N -3.58 0.33 0.53 4.32 2.20 -1.26 -5.01 114.94 112.47 2jkt s ASN 230 Ca 0.55 -0.04 0.30 0.00 -0.94 0.00 0.00 52.86 52.73 2jkt s ASN 230 Cb -0.10 1.11 1.45 0.00 -2.00 0.00 0.00 41.25 41.71 2jkt s ASN 230 CO 0.41 -0.32 1.92 -0.65 -2.94 0.00 0.00 177.10 175.51 2jkt h PRO 231 N 8.17 0.01 -6.83 3.55 0.11 -1.97 -3.46 132.00 131.58 2jkt h PRO 231 Ca -0.15 -0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.42 2jkt h PRO 231 Cb 1.14 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2jkt h PRO 231 CO 0.27 0.01 -1.04 1.63 -0.21 0.00 0.00 178.00 178.65 2jkt n LYS 232 N -4.30 -0.87 0.00 1.05 5.02 -1.26 -4.94 118.16 112.86 2jkt n LYS 232 Ca 0.16 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 2jkt n LYS 232 Cb 0.87 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.38 0.00 -0.21 4.39 -0.08 -1.26 -5.03 116.55 111.98 2jkt n ASP 233 Ca -0.21 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.01 2jkt n ASP 233 Cb 0.62 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.12 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 0.69 0.85 1.67 3.45 -1.95 -1.99 116.42 119.13 2jkt h ASP 234 Ca 0.00 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.42 2jkt h ASP 234 Cb 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.60 2jkt h ASP 234 CO 0.00 0.52 0.00 0.54 -1.57 0.00 0.00 179.24 178.73 2jkt n ARG 235 N -4.65 0.00 0.05 3.56 1.74 -1.26 -2.18 116.66 113.91 2jkt n ARG 235 Ca 0.04 0.08 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 2jkt n ARG 235 Cb 0.03 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.83 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 0.34 -0.37 5.56 4.81 -1.77 -3.19 114.58 119.96 2jkt h GLU 236 Ca 0.00 -0.58 -0.04 0.00 -0.13 0.00 0.00 59.36 58.60 2jkt h GLU 236 Cb 0.42 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2jkt h GLU 236 CO 0.00 1.28 0.05 0.00 -0.73 0.00 0.00 179.01 179.60 2jkt h ALA 237 N 0.07 1.39 -0.24 2.92 0.00 -1.23 -1.55 119.26 120.63 2jkt h ALA 237 Ca -0.36 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 2jkt h ALA 237 Cb 2.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2jkt h ALA 237 CO 0.14 0.43 -0.62 0.37 0.00 0.00 0.00 179.25 179.57 2jkt h GLN 238 N 0.55 0.81 0.00 0.00 -0.00 -1.55 -0.16 115.11 114.75 2jkt h GLN 238 Ca 0.12 -0.56 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2jkt h GLN 238 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.84 2jkt h GLN 238 CO 0.00 1.18 -0.49 0.77 0.00 0.00 0.00 178.83 180.30 2jkt h SER 239 N 0.60 0.00 0.18 -0.69 0.02 -1.52 -2.60 113.55 109.55 2jkt h SER 239 Ca -0.01 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.69 2jkt h SER 239 Cb 1.23 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.80 2jkt h SER 239 CO 0.13 0.00 -1.12 -0.29 -1.14 0.00 0.00 176.83 174.42 2jkt h ILE 240 N 0.00 1.39 -0.74 3.27 2.10 -1.22 -3.25 117.51 119.06 2jkt h ILE 240 Ca 0.00 -2.59 0.02 0.00 1.08 0.00 0.00 64.86 63.37 2jkt h ILE 240 Cb 0.99 3.11 -0.04 0.00 -1.09 0.00 0.00 36.82 39.80 2jkt h ILE 240 CO 0.00 0.75 0.48 0.00 -1.08 0.00 0.00 178.15 178.30 2jkt n GLU 242 N -4.60 0.61 0.00 0.00 4.07 -0.98 -1.43 120.64 118.30 2jkt n GLU 242 Ca 0.07 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.24 2jkt n GLU 242 Cb 0.04 -1.48 -0.05 0.00 -0.06 0.00 0.00 31.44 29.89 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 -0.98 2.31 -0.01 5.31 5.12 0.15 -4.30 116.66 124.26 2jkt n ARG 243 Ca 0.14 -0.25 0.08 0.00 -1.93 0.00 0.00 57.85 55.89 2jkt n ARG 243 Cb 0.06 -1.16 -0.12 0.00 -1.16 0.00 0.00 32.46 30.08 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 -0.93 0.00 -0.37 1.55 0.24 -0.73 -4.73 118.33 113.37 2jkt n VAL 244 Ca 0.04 -0.37 0.32 0.00 -2.04 0.00 0.00 64.34 62.29 2jkt n VAL 244 Cb 0.24 0.13 0.59 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.11 -0.29 3.34 2.02 -1.43 0.19 112.91 116.86 2jkt h THR 245 Ca -0.00 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 2jkt h THR 245 Cb 0.73 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2jkt h THR 245 CO 0.00 0.02 -0.30 -0.65 0.37 0.00 0.00 175.52 174.96 2jkt h PRO 246 N 0.11 0.61 0.00 6.66 0.11 -1.86 -3.09 132.00 134.54 2jkt h PRO 246 Ca 0.81 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2jkt h PRO 246 Cb 2.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.34 2jkt h PRO 246 CO -0.60 0.83 0.00 0.54 -0.21 0.00 0.00 178.00 178.57 2jkt n ARG 247 N -4.08 0.00 -0.49 1.05 5.12 0.06 -3.23 116.66 115.08 2jkt n ARG 247 Ca -0.01 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 2jkt n ARG 247 Cb 0.45 -1.30 0.02 0.00 -1.16 0.00 0.00 32.46 30.47 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 -0.79 5.04 0.00 0.55 4.77 -1.17 -3.66 117.00 121.74 2jkt n LEU 248 Ca 0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 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 0.92 0.00 -1.20 -1.33 0.00 0.00 177.39 175.78 2jkt n SER 249 N 0.86 0.00 -2.54 -1.43 7.64 -1.20 -4.78 113.62 112.16 2jkt n SER 249 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2jkt n SER 249 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.49 0.00 0.00 1.43 -0.00 -1.24 -4.76 115.22 110.16 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 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 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 1.97 0.00 -0.13 1.57 0.00 -1.26 -4.64 120.51 118.01 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 6.05 0.00 0.33 0.00 2.85 -1.26 -4.68 115.26 118.55 2jkt n ASN 252 Ca 0.00 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.67 2jkt n ASN 252 Cb 0.00 0.00 1.07 0.00 1.24 0.00 0.00 39.78 42.09 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 0.28 0.00 1.01 1.20 4.64 -1.97 -0.31 113.55 118.40 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 -2.00 2.13 -0.06 5.18 0.00 -1.26 -0.80 120.51 123.70 2jkt n ALA 254 Ca -0.03 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 2jkt n ALA 254 Cb 0.16 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.06 2jkt n ALA 254 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jkt n VAL 255 N -1.77 1.65 0.02 0.00 0.31 -0.14 -3.24 118.33 115.15 2jkt n VAL 255 Ca 0.06 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 2jkt n VAL 255 Cb 0.32 -1.85 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 2jkt n VAL 255 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jkt h VAL 256 N -0.44 0.86 0.50 2.52 2.07 -1.44 0.15 116.25 120.47 2jkt h VAL 256 Ca -0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2jkt h VAL 256 Cb 1.70 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2jkt h VAL 256 CO -0.08 0.00 -0.30 -0.07 0.02 0.00 0.00 177.57 177.14 2jkt h LEU 257 N -0.05 -0.76 -1.53 2.57 3.38 -1.18 -1.03 115.31 116.72 2jkt h LEU 257 Ca 0.04 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2jkt h LEU 257 Cb 0.11 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2jkt h LEU 257 CO -0.10 -0.48 0.58 0.28 0.09 0.00 0.00 178.44 178.81 2jkt h SER 258 N -0.76 0.40 0.18 -0.43 0.02 -1.47 0.38 113.55 111.87 2jkt h SER 258 Ca -0.06 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2jkt h SER 258 Cb 0.62 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 2jkt h SER 258 CO 0.06 0.17 -0.74 0.00 -1.14 0.00 0.00 176.83 175.18 2jkt h ALA 259 N 1.62 0.54 -0.46 3.77 0.00 -0.46 -2.86 119.26 121.40 2jkt h ALA 259 Ca 0.45 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2jkt h ALA 259 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jkt h ALA 259 CO -0.16 0.75 -0.01 0.28 0.00 0.00 0.00 179.25 180.10 2jkt h VAL 260 N 0.33 1.26 -0.53 0.00 2.07 0.51 -1.79 116.25 118.09 2jkt h VAL 260 Ca -0.03 -1.08 0.10 0.00 0.82 0.00 0.00 66.70 66.51 2jkt h VAL 260 Cb 1.32 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 2jkt h VAL 260 CO 0.13 0.37 0.04 0.50 0.02 0.00 0.00 177.57 178.63 2jkt h LYS 261 N 0.67 0.15 0.64 1.57 3.64 -0.34 0.18 116.57 123.08 2jkt h LYS 261 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2jkt h LYS 261 Cb 0.52 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2jkt h LYS 261 CO 0.03 0.10 -0.31 0.28 -2.27 0.00 0.00 179.45 177.28 2jkt h VAL 262 N 0.16 0.00 -0.92 2.00 2.07 -1.35 -3.08 116.25 115.14 2jkt h VAL 262 Ca 0.27 -0.01 0.20 0.00 0.82 0.00 0.00 66.70 67.99 2jkt h VAL 262 Cb 0.41 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2jkt h VAL 262 CO -0.42 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 177.71 2jkt h LEU 263 N -0.87 0.45 -1.15 2.57 3.38 -1.10 -0.02 115.31 118.56 2jkt h LEU 263 Ca -0.09 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jkt h LEU 263 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jkt h LEU 263 CO 0.14 0.18 -0.42 0.24 0.09 0.00 0.00 178.44 178.67 2jkt h MET 264 N 0.45 0.00 0.00 1.13 2.86 -0.62 0.73 114.93 119.48 2jkt h MET 264 Ca 0.48 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.07 2jkt h MET 264 Cb 1.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2jkt h MET 264 CO -0.20 0.42 -1.37 1.63 1.06 0.00 0.00 176.91 178.45 2jkt n LYS 265 N -4.00 0.62 0.08 1.72 4.76 -0.11 -3.88 118.16 117.35 2jkt n LYS 265 Ca -0.02 0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 2jkt n LYS 265 Cb 0.45 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.76 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 0.35 0.00 2.13 0.05 -1.22 -3.33 116.94 114.92 2jkt h PHE 266 Ca -0.06 -0.26 0.00 0.00 3.82 0.00 0.00 57.97 61.47 2jkt h PHE 266 Cb 1.17 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.11 2jkt h PHE 266 CO 0.00 1.24 0.00 1.37 -0.18 0.00 0.00 178.31 180.74 2jkt h LEU 267 N 0.05 0.00 -2.34 1.54 8.10 -0.97 -2.28 115.31 119.42 2jkt h LEU 267 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.84 2jkt h LEU 267 Cb 1.95 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.17 2jkt h LEU 267 CO 0.17 0.00 0.00 -0.62 -4.11 0.00 0.00 178.44 173.88 2jkt n GLU 268 N -2.59 0.65 -3.66 0.17 -0.58 -1.25 -4.58 120.64 108.80 2jkt n GLU 268 Ca 0.01 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 2jkt n GLU 268 Cb 0.22 -1.18 -0.17 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.12 0.00 -4.62 1.43 -0.86 -4.98 118.68 109.77 2jkt s LEU 269 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2jkt s LEU 269 Cb 0.00 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.14 2jkt s LEU 269 CO 0.00 -0.26 0.00 -0.11 0.23 0.00 0.00 176.35 176.21 2jkt n LEU 270 N 5.30 -1.10 0.07 1.79 0.00 -1.26 -4.98 117.00 116.82 2jkt n LEU 270 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.84 2jkt n LEU 270 Cb 0.50 -0.55 -0.06 0.00 0.00 0.00 0.00 43.42 43.30 2jkt n LEU 270 CO 0.06 0.00 0.60 -0.65 0.00 0.00 0.00 177.39 177.40 2jkt h PRO 271 N 0.00 -0.54 0.00 1.96 0.11 -1.93 -3.44 132.00 128.15 2jkt h PRO 271 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2jkt h PRO 271 Cb 0.00 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2jkt h PRO 271 CO 0.00 -0.36 0.00 1.17 -0.21 0.00 0.00 178.00 178.60 2jkt n LYS 272 N -5.44 0.00 0.00 1.05 3.00 -1.26 -5.03 118.16 110.47 2jkt n LYS 272 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2jkt n LYS 272 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 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 -1.04 -1.90 3.14 2.03 -1.26 -4.55 116.55 112.97 2jkt n ASP 273 Ca 0.00 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.02 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 -2.44 -0.93 -0.10 1.67 2.88 -1.26 -4.17 113.62 109.28 2jkt n SER 274 Ca 0.00 0.88 0.21 0.00 -1.33 0.00 0.00 58.87 58.63 2jkt n SER 274 Cb 0.00 -1.33 0.33 0.00 -0.75 0.00 0.00 64.21 62.46 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 -0.21 -3.46 8.00 -1.26 -1.50 116.55 120.12 2jkt n ASP 275 Ca 0.00 0.68 0.02 0.00 0.71 0.00 0.00 54.79 56.19 2jkt n ASP 275 Cb 0.00 -0.20 0.12 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 0.12 -0.09 1.24 3.20 -1.93 1.00 116.97 120.51 2jkt h TYR 276 Ca 0.37 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 2jkt h TYR 276 Cb 2.64 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 40.95 2jkt h TYR 276 CO 0.00 -0.09 0.06 -0.92 -1.64 0.00 0.00 178.16 175.57 2jkt h TYR 277 N 0.21 0.12 -0.19 -3.82 3.20 -1.43 1.06 116.97 116.12 2jkt h TYR 277 Ca 0.33 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.26 2jkt h TYR 277 Cb 0.53 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2jkt h TYR 277 CO -0.29 0.11 0.25 -0.91 -1.64 0.00 0.00 178.16 175.67 2jkt h ASN 278 N 0.10 0.00 0.00 -2.11 2.35 -1.09 -2.64 115.58 112.20 2jkt h ASN 278 Ca 0.03 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.43 2jkt h ASN 278 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2jkt h ASN 278 CO -0.01 0.00 -1.95 0.80 -1.65 0.00 0.00 177.43 174.63 2jkt n MET 279 N -3.63 0.58 0.22 0.81 0.00 0.33 -3.23 117.12 112.20 2jkt n MET 279 Ca 0.02 0.41 0.18 0.00 -0.00 0.00 0.00 57.70 58.31 2jkt n MET 279 Cb 0.37 -1.61 0.85 0.00 0.00 0.00 0.00 33.22 32.83 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 -0.11 -0.89 5.85 0.11 0.69 115.31 119.96 2jkt h LEU 280 Ca -0.54 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 2jkt h LEU 280 Cb 1.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2jkt h LEU 280 CO -0.33 0.00 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.39 2jkt h LEU 281 N 0.00 0.46 -0.58 2.25 3.38 -1.60 -2.77 115.31 116.46 2jkt h LEU 281 Ca 0.08 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2jkt h LEU 281 Cb 0.60 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jkt h LEU 281 CO -0.00 0.98 -0.11 0.11 0.09 0.00 0.00 178.44 179.51 2jkt h LYS 282 N -0.03 0.00 -0.08 1.13 1.57 -0.69 -3.06 116.57 115.40 2jkt h LYS 282 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2jkt h LYS 282 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2jkt h LYS 282 CO 0.07 0.11 -0.64 0.87 -0.57 0.00 0.00 179.45 179.28 2jkt h LYS 283 N 0.00 0.32 0.00 3.15 1.57 0.20 -3.33 116.57 118.48 2jkt h LYS 283 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2jkt h LYS 283 Cb 0.88 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2jkt h LYS 283 CO 0.01 0.86 0.00 -0.07 -0.57 0.00 0.00 179.45 179.68 2jkt h LEU 284 N 0.23 0.00 0.65 2.94 3.38 -1.38 -3.37 115.31 117.76 2jkt h LEU 284 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jkt h LEU 284 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 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 2.03 -1.01 -0.98 1.53 0.00 -1.67 -3.26 119.26 115.90 2jkt h ALA 285 Ca 0.00 -0.19 0.27 0.00 0.00 0.00 0.00 54.91 54.99 2jkt h ALA 285 Cb 0.76 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2jkt h ALA 285 CO 0.00 -0.94 0.53 -1.35 0.00 0.00 0.00 179.25 177.48 2jkt h PRO 286 N -1.06 0.42 -0.20 0.00 0.11 -1.80 -1.18 132.00 128.29 2jkt h PRO 286 Ca -0.09 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.82 2jkt h PRO 286 Cb 0.67 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2jkt h PRO 286 CO 0.15 0.28 -0.57 -1.35 -0.21 0.00 0.00 178.00 176.30 2jkt h PRO 287 N 0.44 0.74 -0.00 1.05 0.11 -1.78 -0.84 132.00 131.71 2jkt h PRO 287 Ca 0.65 -0.53 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2jkt h PRO 287 Cb 1.34 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.54 2jkt h PRO 287 CO -0.54 1.15 -0.35 1.47 -0.21 0.00 0.00 178.00 179.51 2jkt n LEU 288 N -4.08 0.58 -0.03 2.35 -0.00 -1.15 -2.67 117.00 112.00 2jkt n LEU 288 Ca -0.06 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.80 2jkt n LEU 288 Cb 0.63 -0.23 -0.10 0.00 -0.00 0.00 0.00 43.42 43.72 2jkt n LEU 288 CO 0.49 0.13 0.58 0.58 -0.00 0.00 0.00 177.39 179.17 2jkt h VAL 289 N 0.37 1.44 0.00 1.47 2.07 -1.05 -3.16 116.25 117.39 2jkt h VAL 289 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2jkt h VAL 289 Cb 0.49 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 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 -4.75 0.00 0.53 2.57 -2.24 -0.33 -1.70 114.28 108.35 2jkt n THR 290 Ca -0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 2jkt n THR 290 Cb 0.31 -0.15 0.21 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.27 3.22 5.85 -1.46 -3.24 115.31 119.41 2jkt h LEU 291 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 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 0.07 -0.01 0.18 -0.34 0.00 0.00 178.44 178.34 2jkt n LEU 292 N -2.25 0.43 -0.97 2.25 4.77 -0.69 -3.49 117.00 117.05 2jkt n LEU 292 Ca 0.04 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2jkt n LEU 292 Cb 0.45 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.74 2jkt n LEU 292 CO 0.35 0.07 0.69 -1.20 -1.33 0.00 0.00 177.39 175.98 2jkt n SER 293 N -0.70 3.39 -1.65 -1.43 7.64 -1.22 -4.89 113.62 114.74 2jkt n SER 293 Ca 0.22 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2jkt n SER 293 Cb 0.19 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.05 0.45 3.75 0.23 0.00 -1.23 -5.08 105.19 104.36 2jkt n GLY 294 Ca 0.17 -1.82 -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 1.14 1.60 0.29 1.61 0.41 -1.26 -4.71 118.70 117.78 2jkt s GLU 295 Ca 0.00 0.79 -0.02 0.00 -0.41 0.00 0.00 54.97 55.33 2jkt s GLU 295 Cb 0.00 -1.85 0.42 0.00 -1.78 0.00 0.00 34.13 30.92 2jkt s GLU 295 CO 0.00 -2.00 1.93 -1.35 -0.49 0.00 0.00 175.26 173.35 2jkt h PRO 296 N -1.37 1.04 -0.87 0.39 0.11 -1.98 -0.60 132.00 128.73 2jkt h PRO 296 Ca -0.48 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 2jkt h PRO 296 Cb 1.27 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2jkt h PRO 296 CO 0.56 0.74 0.44 0.93 -0.21 0.00 0.00 178.00 180.45 2jkt h GLU 297 N 1.05 1.24 0.00 1.05 3.07 -2.00 -2.73 114.58 116.26 2jkt h GLU 297 Ca 0.27 -0.17 -0.17 0.00 -0.50 0.00 0.00 59.36 58.80 2jkt h GLU 297 Cb -0.02 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.64 2jkt h GLU 297 CO -0.05 0.93 -0.80 0.28 -1.40 0.00 0.00 179.01 177.98 2jkt h VAL 298 N 1.23 1.39 -0.63 3.13 2.07 -1.74 -2.78 116.25 118.93 2jkt h VAL 298 Ca 0.30 -2.91 0.01 0.00 0.82 0.00 0.00 66.70 64.91 2jkt h VAL 298 Cb 0.09 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 2jkt h VAL 298 CO -0.04 0.78 0.41 1.56 0.02 0.00 0.00 177.57 180.30 2jkt h GLN 299 N 0.00 0.82 0.55 1.57 4.20 -1.06 -1.63 115.11 119.56 2jkt h GLN 299 Ca -0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2jkt h GLN 299 Cb 1.59 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2jkt h GLN 299 CO 0.10 0.55 -0.40 -0.92 -0.67 0.00 0.00 178.83 177.49 2jkt h TYR 300 N 0.85 -1.08 -0.86 2.96 3.20 -1.37 0.79 116.97 121.46 2jkt h TYR 300 Ca 0.23 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2jkt h TYR 300 Cb -0.10 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 2jkt h TYR 300 CO -0.03 -0.59 0.56 0.28 -1.64 0.00 0.00 178.16 176.74 2jkt h VAL 301 N -0.92 0.91 -0.47 1.81 2.07 -1.42 0.11 116.25 118.34 2jkt h VAL 301 Ca -0.06 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2jkt h VAL 301 Cb 0.77 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2jkt h VAL 301 CO 0.02 0.14 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 2jkt h ALA 302 N 1.58 0.64 0.56 1.67 0.00 -0.97 -3.03 119.26 119.70 2jkt h ALA 302 Ca 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jkt h ALA 302 Cb 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jkt h ALA 302 CO -0.18 0.46 -0.27 -0.07 0.00 0.00 0.00 179.25 179.20 2jkt h LEU 303 N 0.70 -0.63 -1.80 0.00 3.38 0.15 0.16 115.31 117.27 2jkt h LEU 303 Ca 0.13 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.29 2jkt h LEU 303 Cb 0.54 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2jkt h LEU 303 CO 0.03 -0.45 0.62 0.03 0.09 0.00 0.00 178.44 178.76 2jkt h ARG 304 N -0.76 0.00 0.00 1.13 2.47 -1.09 0.40 114.38 116.53 2jkt h ARG 304 Ca -0.08 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.39 2jkt h ARG 304 Cb 0.58 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.85 2jkt h ARG 304 CO 0.13 0.00 -1.73 0.09 0.56 0.00 0.00 179.97 179.02 2jkt n ASN 305 N -3.64 0.70 0.10 7.04 4.13 -0.61 -3.65 115.26 119.34 2jkt n ASN 305 Ca 0.11 0.32 -0.05 0.00 1.68 0.00 0.00 54.58 56.65 2jkt n ASN 305 Cb 0.84 0.25 0.05 0.00 -1.54 0.00 0.00 39.78 39.37 2jkt n ASN 305 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2jkt h ILE 306 N 0.00 1.52 -0.51 2.41 1.08 0.12 -1.21 117.51 120.91 2jkt h ILE 306 Ca -0.28 -2.54 0.06 0.00 -0.39 0.00 0.00 64.86 61.71 2jkt h ILE 306 Cb 1.87 2.38 -0.03 0.00 -3.07 0.00 0.00 36.82 37.97 2jkt h ILE 306 CO 0.06 0.73 0.34 -1.13 -0.69 0.00 0.00 178.15 177.46 2jkt h ASN 307 N 0.05 0.42 0.14 1.72 -1.24 -1.13 -0.75 115.58 114.78 2jkt h ASN 307 Ca -0.02 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2jkt h ASN 307 Cb 1.36 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2jkt h ASN 307 CO 0.11 0.28 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.39 2jkt h LEU 308 N 0.48 -0.16 -0.34 0.34 3.38 -1.59 -3.34 115.31 114.08 2jkt h LEU 308 Ca 0.22 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2jkt h LEU 308 Cb 0.26 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2jkt h LEU 308 CO -0.06 0.43 0.01 0.40 0.09 0.00 0.00 178.44 179.31 2jkt h ILE 309 N -0.97 0.76 0.00 1.22 2.04 -0.76 -0.70 117.51 119.10 2jkt h ILE 309 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2jkt h ILE 309 Cb 0.43 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2jkt h ILE 309 CO 0.03 0.02 0.00 1.33 0.00 0.00 0.00 178.15 179.53 2jkt n VAL 310 N -5.16 0.83 0.20 1.67 0.24 -0.33 -0.36 118.33 115.42 2jkt n VAL 310 Ca 0.01 0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.40 2jkt n VAL 310 Cb 0.17 -1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 31.38 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 -0.54 0.18 7.34 4.20 -1.26 -3.02 115.11 122.01 2jkt h GLN 311 Ca 0.00 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2jkt h GLN 311 Cb 0.37 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2jkt h GLN 311 CO 0.00 -0.25 -0.09 -0.22 -0.67 0.00 0.00 178.83 177.60 2jkt h LYS 312 N -1.02 -0.23 -3.07 1.46 1.63 -1.10 -3.37 116.57 110.87 2jkt h LYS 312 Ca -0.06 0.02 -0.62 0.00 -0.85 0.00 0.00 60.65 59.14 2jkt h LYS 312 Cb 0.54 0.05 -0.41 0.00 -0.60 0.00 0.00 32.23 31.82 2jkt h LYS 312 CO 0.09 0.06 -0.66 1.03 -3.45 0.00 0.00 179.45 176.52 2jkt s ARG 313 N -4.99 1.95 0.32 1.90 1.81 0.51 -4.96 118.95 115.49 2jkt s ARG 313 Ca -0.15 -2.77 0.06 0.00 -1.72 0.00 0.00 55.73 51.15 2jkt s ARG 313 Cb 0.03 -2.98 0.74 0.00 -0.45 0.00 0.00 34.95 32.29 2jkt s ARG 313 CO 0.61 -1.23 1.81 -1.35 -0.68 0.00 0.00 175.30 174.46 2jkt h PRO 314 N 5.97 0.75 -0.32 3.54 0.11 -1.71 -3.09 132.00 137.25 2jkt h PRO 314 Ca 0.07 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 66.23 2jkt h PRO 314 Cb 0.84 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2jkt h PRO 314 CO 0.63 0.50 0.43 0.93 -0.21 0.00 0.00 178.00 180.28 2jkt h GLU 315 N 0.78 0.00 0.02 1.05 3.07 -1.93 -3.05 114.58 114.51 2jkt h GLU 315 Ca 0.53 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.29 2jkt h GLU 315 Cb 0.81 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.73 2jkt h GLU 315 CO -0.31 0.00 -0.40 0.82 -1.40 0.00 0.00 179.01 177.72 2jkt h ILE 316 N 0.00 1.53 -1.09 3.13 2.04 -1.83 -3.32 117.51 117.97 2jkt h ILE 316 Ca 0.15 -2.08 -0.65 0.00 1.00 0.00 0.00 64.86 63.28 2jkt h ILE 316 Cb 1.00 2.82 -0.33 0.00 -0.74 0.00 0.00 36.82 39.57 2jkt h ILE 316 CO -0.00 0.58 0.33 0.18 0.00 0.00 0.00 178.15 179.24 2jkt n LEU 317 N -4.39 6.74 0.18 1.44 4.77 -1.15 -4.61 117.00 119.98 2jkt n LEU 317 Ca -0.10 -4.54 -0.08 0.00 -0.03 0.00 0.00 56.01 51.26 2jkt n LEU 317 Cb 0.59 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2jkt n LEU 317 CO 0.42 1.73 0.28 0.50 -1.33 0.00 0.00 177.39 178.99 2jkt h LYS 318 N 2.21 -0.48 0.00 3.23 1.63 -1.66 -3.26 116.57 118.24 2jkt h LYS 318 Ca 0.52 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.35 2jkt h LYS 318 Cb 0.92 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2jkt h LYS 318 CO 1.30 -0.32 0.00 1.04 -3.45 0.00 0.00 179.45 178.02 2jkt n GLN 319 N -4.27 0.15 -0.04 1.90 1.13 -1.26 -3.82 117.38 111.17 2jkt n GLN 319 Ca -0.06 0.46 0.01 0.00 -1.94 0.00 0.00 57.00 55.47 2jkt n GLN 319 Cb 0.20 -1.84 0.03 0.00 0.11 0.00 0.00 30.24 28.75 2jkt n GLN 319 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jkt n GLU 320 N -2.13 1.19 -0.33 -1.09 -0.58 -1.23 -4.37 120.64 112.10 2jkt n GLU 320 Ca 0.01 -0.28 0.11 0.00 -0.42 0.00 0.00 57.16 56.58 2jkt n GLU 320 Cb 0.16 -1.09 0.31 0.00 -0.57 0.00 0.00 31.44 30.26 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 0.45 0.82 -0.89 -3.67 2.10 -1.77 -1.60 117.51 112.95 2jkt h ILE 321 Ca 0.00 -0.28 0.22 0.00 1.08 0.00 0.00 64.86 65.88 2jkt h ILE 321 Cb 0.13 -0.07 -0.06 0.00 -1.09 0.00 0.00 36.82 35.73 2jkt h ILE 321 CO 0.00 0.15 0.60 0.11 -1.08 0.00 0.00 178.15 177.93 2jkt h LYS 322 N 0.82 0.27 -0.72 2.19 6.56 -1.94 0.24 116.57 123.99 2jkt h LYS 322 Ca 0.51 -0.02 0.02 0.00 -1.06 0.00 0.00 60.65 60.11 2jkt h LYS 322 Cb 0.71 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 32.27 2jkt h LYS 322 CO -0.28 0.18 0.47 0.28 -2.06 0.00 0.00 179.45 178.04 2jkt h VAL 323 N 0.28 1.13 -0.11 0.50 2.07 -1.65 -2.65 116.25 115.83 2jkt h VAL 323 Ca 0.45 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2jkt h VAL 323 Cb 1.31 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2jkt h VAL 323 CO -0.13 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.12 2jkt n PHE 324 N -4.45 0.14 -1.72 1.57 3.01 0.07 -4.88 117.46 111.21 2jkt n PHE 324 Ca 0.09 -0.07 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 2jkt n PHE 324 Cb 0.09 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.86 2.14 0.13 1.38 0.08 -1.00 -4.56 117.98 114.30 2jkt s PHE 325 Ca 0.30 1.53 -0.26 0.00 0.12 0.00 0.00 56.93 58.62 2jkt s PHE 325 Cb 0.15 -3.58 -0.07 0.00 -0.57 0.00 0.00 43.02 38.95 2jkt s PHE 325 CO 0.24 -2.66 0.79 0.08 -0.10 0.00 0.00 175.22 173.57 2jkt s VAL 326 N -1.62 4.47 -0.17 -0.44 1.01 -1.26 -5.05 120.40 117.34 2jkt s VAL 326 Ca 0.79 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 64.41 2jkt s VAL 326 Cb -0.33 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2jkt s VAL 326 CO 0.40 0.46 0.06 -0.54 0.00 0.00 0.00 175.10 175.48 2jkt s LYS 327 N -0.75 3.90 0.66 2.72 1.02 -1.26 -4.98 119.74 121.03 2jkt s LYS 327 Ca 0.37 -0.33 0.19 0.00 0.02 0.00 0.00 55.97 56.22 2jkt s LYS 327 Cb -0.22 -3.19 1.00 0.00 -0.52 0.00 0.00 37.83 34.89 2jkt s LYS 327 CO 0.26 0.33 1.56 0.10 -0.92 0.00 0.00 175.35 176.68 2jkt h TYR 328 N 6.49 0.00 -0.01 3.18 -0.00 -2.04 0.25 116.97 124.84 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2jkt h TYR 328 CO 0.58 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 179.01 2jkt n ASN 329 N -2.83 1.75 -4.64 0.10 0.23 -1.26 -5.00 115.26 103.60 2jkt n ASN 329 Ca 0.01 -1.38 -0.45 0.00 -0.53 0.00 0.00 54.58 52.23 2jkt n ASN 329 Cb 0.68 -0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.36 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 0.50 2.22 -4.68 0.53 10.43 0.07 -4.89 116.55 120.73 2jkt n ASP 330 Ca 0.05 1.16 -0.39 0.00 2.57 0.00 0.00 54.79 58.18 2jkt n ASP 330 Cb 0.22 -1.37 0.03 0.00 1.84 0.00 0.00 41.12 41.84 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 1.45 1.50 -0.32 -0.24 -0.04 -1.26 -4.65 135.00 131.43 2jkt n PRO 331 Ca 0.10 0.55 0.21 0.00 -0.04 0.00 0.00 63.50 64.32 2jkt n PRO 331 Cb 0.31 -2.35 0.48 0.00 -0.04 0.00 0.00 33.50 31.90 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 1.36 0.55 0.00 0.52 6.09 -1.99 0.13 117.51 124.17 2jkt h ILE 332 Ca -0.49 -0.15 -0.02 0.00 -1.37 0.00 0.00 64.86 62.84 2jkt h ILE 332 Cb 1.32 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 2jkt h ILE 332 CO 0.56 0.08 -0.07 0.10 -3.07 0.00 0.00 178.15 175.75 2jkt h TYR 333 N 0.44 0.00 0.23 2.19 -0.00 -1.99 -0.84 116.97 117.00 2jkt h TYR 333 Ca 0.59 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.98 2jkt h TYR 333 Cb 1.40 0.00 0.03 0.00 0.00 0.00 0.00 36.73 38.16 2jkt h TYR 333 CO -0.00 0.07 -1.53 0.28 -0.00 0.00 0.00 178.16 176.97 2jkt h VAL 334 N 0.00 1.21 -0.36 -0.90 2.07 -1.10 -3.02 116.25 114.15 2jkt h VAL 334 Ca -0.00 -2.69 0.07 0.00 0.82 0.00 0.00 66.70 64.90 2jkt h VAL 334 Cb 0.75 2.96 -0.06 0.00 -1.52 0.00 0.00 31.29 33.42 2jkt h VAL 334 CO 0.01 0.83 -0.02 0.11 0.02 0.00 0.00 177.57 178.52 2jkt h LYS 335 N 0.13 0.07 -0.64 1.57 1.57 -0.96 0.12 116.57 118.44 2jkt h LYS 335 Ca -0.27 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2jkt h LYS 335 Cb 2.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.40 2jkt h LYS 335 CO 0.24 0.05 0.34 -0.07 -0.57 0.00 0.00 179.45 179.45 2jkt h LEU 336 N 0.07 0.81 -0.48 2.94 3.38 -1.27 -0.98 115.31 119.79 2jkt h LEU 336 Ca 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jkt h LEU 336 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jkt h LEU 336 CO -0.32 0.68 -0.19 -0.33 0.09 0.00 0.00 178.44 178.37 2jkt h GLU 337 N 0.88 0.00 -0.09 1.13 4.39 -1.31 -2.77 114.58 116.80 2jkt h GLU 337 Ca 0.22 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.71 2jkt h GLU 337 Cb 0.05 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2jkt h GLU 337 CO -0.03 0.19 -0.80 0.87 -1.16 0.00 0.00 179.01 178.07 2jkt h LYS 338 N 0.00 0.70 0.02 2.33 1.79 -0.33 -3.11 116.57 117.96 2jkt h LYS 338 Ca -0.00 -0.63 -0.00 0.00 -2.18 0.00 0.00 60.65 57.83 2jkt h LYS 338 Cb 0.97 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2jkt h LYS 338 CO 0.02 1.24 -0.01 1.25 -1.08 0.00 0.00 179.45 180.87 2jkt h LEU 339 N 0.38 -0.02 -2.53 2.94 5.85 -1.06 -0.98 115.31 119.88 2jkt h LEU 339 Ca -0.08 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2jkt h LEU 339 Cb 1.45 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 2jkt h LEU 339 CO 0.16 -0.01 0.05 -0.78 -0.34 0.00 0.00 178.44 177.52 2jkt h ASP 340 N -0.03 0.00 0.41 1.25 3.58 -1.56 -1.70 116.42 118.37 2jkt h ASP 340 Ca -0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 2jkt h ASP 340 Cb 0.02 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 2jkt h ASP 340 CO 0.00 0.00 -1.76 0.40 -2.88 0.00 0.00 179.24 175.01 2jkt h ILE 341 N 0.00 0.82 -0.18 2.25 2.04 -1.34 -2.92 117.51 118.19 2jkt h ILE 341 Ca 0.02 -2.63 0.02 0.00 1.00 0.00 0.00 64.86 63.27 2jkt h ILE 341 Cb 0.13 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2jkt h ILE 341 CO -0.00 0.62 0.02 0.24 0.00 0.00 0.00 178.15 179.04 2jkt h MET 342 N 0.02 0.09 -0.62 2.37 2.86 -0.34 -0.70 114.93 118.60 2jkt h MET 342 Ca -0.31 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2jkt h MET 342 Cb 2.01 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 33.55 2jkt h MET 342 CO 0.09 0.06 0.04 0.82 1.06 0.00 0.00 176.91 178.97 2jkt h ILE 343 N 0.09 0.52 -0.07 -1.22 1.08 -1.45 0.31 117.51 116.77 2jkt h ILE 343 Ca 0.08 -0.05 -0.05 0.00 -0.39 0.00 0.00 64.86 64.44 2jkt h ILE 343 Cb 0.08 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 2jkt h ILE 343 CO -0.12 0.03 -0.21 0.03 -0.69 0.00 0.00 178.15 177.19 2jkt h ARG 344 N 0.15 0.12 -0.01 2.37 2.47 -1.09 -2.10 114.38 116.29 2jkt h ARG 344 Ca 0.33 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2jkt h ARG 344 Cb 0.53 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2jkt h ARG 344 CO -0.51 0.33 -0.50 1.28 0.56 0.00 0.00 179.97 181.13 2jkt n LEU 345 N -4.24 1.65 -4.48 3.04 4.77 -0.37 -4.91 117.00 112.46 2jkt n LEU 345 Ca -0.02 -0.60 -0.48 0.00 -0.03 0.00 0.00 56.01 54.88 2jkt n LEU 345 Cb 0.30 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2jkt n LEU 345 CO 0.38 0.32 1.84 0.00 -1.33 0.00 0.00 177.39 178.59 2jkt n ALA 346 N -0.38 1.19 -2.72 -1.18 0.00 0.10 -4.89 120.51 112.63 2jkt n ALA 346 Ca 0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2jkt n ALA 346 Cb 0.42 -2.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 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 7.83 6.40 0.00 0.00 0.15 -1.26 -4.77 113.70 122.06 2jkt s SER 347 Ca 1.08 0.46 0.01 0.00 0.70 0.00 0.00 55.95 58.20 2jkt s SER 347 Cb -0.73 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 61.59 2jkt s SER 347 CO 0.45 -0.06 0.38 0.00 1.20 0.00 0.00 173.24 175.21 2jkt n GLN 348 N -0.63 0.04 -2.66 5.44 0.00 -1.26 -2.24 117.38 116.06 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 -1.33 0.03 0.00 0.00 0.00 0.00 30.24 29.48 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 -0.83 3.41 -0.27 2.61 0.00 -1.26 -4.80 120.51 119.37 2jkt n ALA 349 Ca 0.01 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.28 2jkt n ALA 349 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.32 0.00 -0.04 0.00 6.94 -0.95 -4.96 115.26 115.93 2jkt n ASN 350 Ca 0.14 -0.12 0.15 0.00 -0.02 0.00 0.00 54.58 54.73 2jkt n ASN 350 Cb 0.81 0.00 0.58 0.00 -2.36 0.00 0.00 39.78 38.81 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 0.12 0.83 -0.66 1.53 5.03 -1.85 0.20 117.51 122.71 2jkt h ILE 351 Ca 0.00 -0.08 0.12 0.00 -0.12 0.00 0.00 64.86 64.78 2jkt h ILE 351 Cb 0.06 0.57 -0.12 0.00 -3.03 0.00 0.00 36.82 34.30 2jkt h ILE 351 CO 0.00 0.04 -0.28 0.00 -0.68 0.00 0.00 178.15 177.23 2jkt h ALA 352 N 1.72 0.16 -0.30 1.87 0.00 -1.92 0.81 119.26 121.59 2jkt h ALA 352 Ca 0.27 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 2jkt h ALA 352 Cb 0.73 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2jkt h ALA 352 CO -0.05 -0.58 -0.23 1.96 0.00 0.00 0.00 179.25 180.35 2jkt h GLN 353 N -0.10 0.68 0.33 0.00 1.08 -1.08 -3.04 115.11 112.99 2jkt h GLN 353 Ca 0.28 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2jkt h GLN 353 Cb 0.55 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2jkt h GLN 353 CO -0.72 0.94 -0.16 0.28 -0.95 0.00 0.00 178.83 178.22 2jkt h VAL 354 N 0.43 0.69 -0.27 -0.54 2.07 -0.21 -2.74 116.25 115.68 2jkt h VAL 354 Ca 0.06 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2jkt h VAL 354 Cb 0.78 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2jkt h VAL 354 CO 0.06 0.04 -0.07 -0.07 0.02 0.00 0.00 177.57 177.56 2jkt h LEU 355 N -0.56 -0.25 -0.88 2.57 3.38 0.49 0.57 115.31 120.64 2jkt h LEU 355 Ca -0.05 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2jkt h LEU 355 Cb 0.41 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2jkt h LEU 355 CO 0.08 -0.09 0.28 0.00 0.09 0.00 0.00 178.44 178.80 2jkt h ALA 356 N 1.27 1.32 -0.24 1.53 0.00 -1.50 0.32 119.26 121.97 2jkt h ALA 356 Ca 0.13 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2jkt h ALA 356 Cb 0.20 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jkt h ALA 356 CO -0.28 -0.43 -0.01 1.49 0.00 0.00 0.00 179.25 180.02 2jkt h GLU 357 N 0.26 0.43 -0.66 0.00 4.57 -0.63 -2.39 114.58 116.17 2jkt h GLU 357 Ca 0.55 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.55 2jkt h GLU 357 Cb 1.09 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 2jkt h GLU 357 CO -0.61 0.62 0.24 -0.07 -1.18 0.00 0.00 179.01 178.01 2jkt h LEU 358 N 0.20 0.92 -0.80 1.64 3.38 0.16 -1.90 115.31 118.91 2jkt h LEU 358 Ca 0.07 -0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.04 2jkt h LEU 358 Cb 0.43 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 2jkt h LEU 358 CO 0.01 0.86 0.23 0.50 0.09 0.00 0.00 178.44 180.13 2jkt h LYS 359 N 0.93 0.28 0.21 1.13 1.63 -0.25 -0.87 116.57 119.64 2jkt h LYS 359 Ca 0.22 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2jkt h LYS 359 Cb 0.24 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2jkt h LYS 359 CO -0.01 0.18 -0.10 1.49 -3.45 0.00 0.00 179.45 177.56 2jkt h GLU 360 N 0.29 -0.28 -1.01 1.90 4.22 -0.86 -2.76 114.58 116.08 2jkt h GLU 360 Ca 0.47 0.02 0.16 0.00 0.08 0.00 0.00 59.36 60.08 2jkt h GLU 360 Cb 0.84 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.06 2jkt h GLU 360 CO -0.54 0.01 0.62 1.88 -2.18 0.00 0.00 179.01 178.80 2jkt h TYR 361 N -0.56 1.11 -0.03 0.92 0.05 -0.45 0.59 116.97 118.60 2jkt h TYR 361 Ca -0.03 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 2jkt h TYR 361 Cb 0.41 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2jkt h TYR 361 CO 0.01 0.34 -0.30 0.00 -1.05 0.00 0.00 178.16 177.16 2jkt h ALA 362 N 1.60 1.45 0.00 3.88 0.00 -1.19 -2.86 119.26 122.13 2jkt h ALA 362 Ca 0.54 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2jkt h ALA 362 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jkt h ALA 362 CO -0.33 0.41 -0.25 1.15 0.00 0.00 0.00 179.25 180.23 2jkt h THR 363 N 0.05 0.97 -0.90 0.00 2.02 0.47 -3.46 112.91 112.06 2jkt h THR 363 Ca 0.01 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2jkt h THR 363 Cb 0.56 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2jkt h THR 363 CO 0.04 0.25 0.00 -0.62 0.37 0.00 0.00 175.52 175.56 2jkt n GLU 364 N -3.93 1.46 -0.00 6.66 -0.58 -1.02 -5.06 120.64 118.17 2jkt n GLU 364 Ca -0.02 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.76 2jkt n GLU 364 Cb 0.33 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.15 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 -2.35 2.62 0.31 -1.26 -4.80 118.33 112.85 2jkt n VAL 365 Ca 0.00 -0.23 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 2jkt n VAL 365 Cb 0.00 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 33.45 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 -2.53 5.97 0.14 4.52 -1.08 -1.26 -4.84 116.67 117.58 2jkt s ASP 366 Ca -0.01 -1.29 -0.26 0.00 -0.52 0.00 0.00 52.55 50.47 2jkt s ASP 366 Cb 0.06 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2jkt s ASP 366 CO 0.34 -2.01 1.60 0.58 0.52 0.00 0.00 175.17 176.20 2jkt h VAL 367 N 6.80 0.23 0.00 1.11 2.07 -1.97 -0.61 116.25 123.89 2jkt h VAL 367 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2jkt h VAL 367 Cb 0.99 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jkt h VAL 367 CO 1.34 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 179.36 2jkt h ASP 368 N -0.37 0.00 0.65 0.57 3.32 -2.00 0.16 116.42 118.74 2jkt h ASP 368 Ca 0.11 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 2jkt h ASP 368 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2jkt h ASP 368 CO -0.42 0.01 -1.49 0.15 -1.72 0.00 0.00 179.24 175.77 2jkt h PHE 369 N 0.00 0.00 -0.95 4.55 3.57 -1.60 -3.28 116.94 119.23 2jkt h PHE 369 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2jkt h PHE 369 Cb 0.06 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2jkt h PHE 369 CO 0.00 0.72 0.63 0.28 -2.23 0.00 0.00 178.31 177.70 2jkt h VAL 370 N 0.00 1.24 -0.34 1.41 2.07 0.75 0.70 116.25 122.07 2jkt h VAL 370 Ca -0.20 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2jkt h VAL 370 Cb 1.72 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2jkt h VAL 370 CO 0.06 0.23 0.17 0.03 0.02 0.00 0.00 177.57 178.08 2jkt h ARG 371 N 1.27 0.48 0.00 1.57 3.08 -1.58 -2.58 114.38 116.62 2jkt h ARG 371 Ca 0.35 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 2jkt h ARG 371 Cb -0.13 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 2jkt h ARG 371 CO -0.08 0.42 -0.07 0.87 -1.07 0.00 0.00 179.97 180.05 2jkt h LYS 372 N 0.42 0.00 0.03 0.04 6.56 -1.37 -2.86 116.57 119.38 2jkt h LYS 372 Ca 0.12 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.47 2jkt h LYS 372 Cb 0.09 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2jkt h LYS 372 CO -0.02 0.07 -0.96 0.00 -2.06 0.00 0.00 179.45 176.48 2jkt h ALA 373 N 1.93 0.08 0.01 3.86 0.00 -0.52 -3.21 119.26 121.42 2jkt h ALA 373 Ca -0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 54.00 2jkt h ALA 373 Cb 0.25 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jkt h ALA 373 CO 0.01 0.58 -1.16 -0.39 0.00 0.00 0.00 179.25 178.30 2jkt h VAL 374 N 0.21 1.53 -0.58 0.00 -1.51 -1.28 -2.97 116.25 111.67 2jkt h VAL 374 Ca -0.13 -3.26 0.08 0.00 -1.23 0.00 0.00 66.70 62.17 2jkt h VAL 374 Cb 1.63 2.78 -0.03 0.00 -2.13 0.00 0.00 31.29 33.54 2jkt h VAL 374 CO 0.19 0.88 0.38 0.03 -1.23 0.00 0.00 177.57 177.82 2jkt h ARG 375 N 0.01 0.44 -0.66 5.19 3.08 -1.64 -2.06 114.38 118.73 2jkt h ARG 375 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2jkt h ARG 375 Cb 1.83 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.75 2jkt h ARG 375 CO 0.13 0.29 0.39 0.00 -1.07 0.00 0.00 179.97 179.70 2jkt h ALA 376 N 1.70 0.84 -0.42 0.04 0.00 -1.52 -0.65 119.26 119.26 2jkt h ALA 376 Ca 0.26 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2jkt h ALA 376 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jkt h ALA 376 CO -0.07 0.33 0.28 0.82 0.00 0.00 0.00 179.25 180.61 2jkt h ILE 377 N 0.90 1.00 0.01 0.00 2.04 -1.34 0.45 117.51 120.57 2jkt h ILE 377 Ca 0.24 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 2jkt h ILE 377 Cb -0.00 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2jkt h ILE 377 CO -0.04 0.07 -0.00 1.23 0.00 0.00 0.00 178.15 179.41 2jkt h GLY 378 N 0.40 -0.01 2.00 5.37 0.00 -1.30 -2.81 103.07 106.72 2jkt h GLY 378 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2jkt h GLY 378 CO -0.04 -0.00 -0.00 -0.09 0.00 0.00 0.00 176.54 176.40 2jkt h ARG 379 N -0.51 0.00 0.04 4.80 9.65 0.15 -0.04 114.38 128.47 2jkt h ARG 379 Ca -0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 2jkt h ARG 379 Cb 0.50 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2jkt h ARG 379 CO 0.00 0.00 -1.02 0.00 2.80 0.00 0.00 179.97 181.75 2jkt h ALA 381 N 0.80 0.51 0.04 0.00 0.00 -0.78 0.42 119.26 120.25 2jkt h ALA 381 Ca -0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jkt h ALA 381 Cb 1.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2jkt h ALA 381 CO 0.16 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.90 2jkt h ILE 382 N 0.61 0.99 0.23 0.00 2.04 -1.35 -3.35 117.51 116.68 2jkt h ILE 382 Ca 0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2jkt h ILE 382 Cb 1.16 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2jkt h ILE 382 CO 0.12 0.02 -0.11 0.50 0.00 0.00 0.00 178.15 178.68 2jkt h LYS 383 N -0.10 -0.30 -5.07 2.37 3.64 -1.28 -3.38 116.57 112.46 2jkt h LYS 383 Ca -0.01 0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.73 2jkt h LYS 383 Cb 0.08 0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 31.80 2jkt h LYS 383 CO 0.01 0.07 0.40 0.08 -2.27 0.00 0.00 179.45 177.74 2jkt s VAL 384 N -3.66 4.58 0.25 2.00 1.01 0.15 -4.91 120.40 119.83 2jkt s VAL 384 Ca -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 2jkt s VAL 384 Cb 0.01 -4.62 0.26 0.00 0.00 0.00 0.00 36.38 32.03 2jkt s VAL 384 CO 0.45 -1.33 1.92 -0.08 0.00 0.00 0.00 175.10 176.07 2jkt h GLU 385 N 9.31 1.29 0.00 2.72 4.22 -1.75 -2.74 114.58 127.64 2jkt h GLU 385 Ca -0.23 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.13 2jkt h GLU 385 Cb 1.07 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jkt h GLU 385 CO 1.14 0.86 0.00 1.04 -2.18 0.00 0.00 179.01 179.86 2jkt n GLN 386 N -4.40 0.07 0.00 1.92 3.00 -1.26 -3.11 117.38 113.59 2jkt n GLN 386 Ca 0.13 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.33 2jkt n GLN 386 Cb 0.04 -1.58 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 -1.70 1.40 -0.31 1.08 3.41 -1.03 -4.49 113.62 111.98 2jkt n SER 387 Ca 0.06 -1.20 0.21 0.00 -0.26 0.00 0.00 58.87 57.69 2jkt n SER 387 Cb 0.34 0.14 0.40 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.23 0.69 0.11 7.33 0.00 -1.18 -1.14 120.51 126.09 2jkt n ALA 388 Ca 0.14 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.42 2jkt n ALA 388 Cb 0.38 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.26 0.00 0.00 5.08 -1.89 -2.26 114.58 115.25 2jkt h GLU 389 Ca 0.66 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 2jkt h GLU 389 Cb 1.58 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2jkt h GLU 389 CO -0.80 0.05 -0.01 0.07 -1.00 0.00 0.00 179.01 177.32 2jkt h ARG 390 N -0.57 0.00 0.23 2.33 -0.00 -1.47 0.12 114.38 115.02 2jkt h ARG 390 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2jkt h ARG 390 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 2jkt h ARG 390 CO 0.04 0.01 -0.11 0.00 -0.00 0.00 0.00 179.97 179.92 2jkt h VAL 392 N -0.60 0.99 0.56 0.00 2.07 -0.66 -1.06 116.25 117.55 2jkt h VAL 392 Ca -0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jkt h VAL 392 Cb 0.44 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2jkt h VAL 392 CO 0.05 0.06 -0.34 0.28 0.02 0.00 0.00 177.57 177.64 2jkt h SER 393 N 0.35 -0.86 -0.36 0.57 0.02 -0.65 -2.18 113.55 110.43 2jkt h SER 393 Ca 0.17 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2jkt h SER 393 Cb 0.23 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2jkt h SER 393 CO -0.04 -0.53 0.13 0.71 -1.14 0.00 0.00 176.83 175.96 2jkt h THR 394 N -0.85 1.18 -0.64 -2.27 1.35 -1.14 -1.98 112.91 108.56 2jkt h THR 394 Ca -0.08 -0.62 0.07 0.00 -0.55 0.00 0.00 66.41 65.24 2jkt h THR 394 Cb 0.68 0.72 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 2jkt h THR 394 CO 0.08 0.23 0.32 -0.07 -0.25 0.00 0.00 175.52 175.83 2jkt h LEU 395 N 0.61 0.44 -0.74 3.87 3.38 -1.17 -0.63 115.31 121.07 2jkt h LEU 395 Ca 0.14 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2jkt h LEU 395 Cb 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2jkt h LEU 395 CO -0.01 0.28 0.13 -0.07 0.09 0.00 0.00 178.44 178.86 2jkt h LEU 396 N 0.59 1.04 -0.69 1.67 3.38 -0.74 -1.83 115.31 118.73 2jkt h LEU 396 Ca 0.30 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jkt h LEU 396 Cb 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2jkt h LEU 396 CO -0.22 1.01 0.43 0.44 0.09 0.00 0.00 178.44 180.20 2jkt h ASP 397 N 1.03 0.72 -0.53 -0.43 3.45 -0.64 -1.03 116.42 118.98 2jkt h ASP 397 Ca 0.21 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.63 2jkt h ASP 397 Cb 0.40 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 2jkt h ASP 397 CO 0.01 0.50 0.21 -0.07 -1.57 0.00 0.00 179.24 178.32 2jkt h LEU 398 N 0.86 0.73 -1.09 1.55 3.38 -1.00 -2.62 115.31 117.12 2jkt h LEU 398 Ca 0.27 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2jkt h LEU 398 Cb -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2jkt h LEU 398 CO -0.10 0.71 0.61 0.40 0.09 0.00 0.00 178.44 180.15 2jkt h ILE 399 N 0.71 1.09 0.00 1.22 2.04 -0.42 -0.75 117.51 121.40 2jkt h ILE 399 Ca 0.18 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2jkt h ILE 399 Cb 0.20 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2jkt h ILE 399 CO -0.01 0.20 0.02 0.00 0.00 0.00 0.00 178.15 178.36 2jkt n GLN 400 N -4.48 0.00 0.01 2.37 3.00 -0.49 -0.79 117.38 117.00 2jkt n GLN 400 Ca 0.14 0.41 0.14 0.00 -0.01 0.00 0.00 57.00 57.68 2jkt n GLN 400 Cb 0.17 -1.52 0.55 0.00 0.00 0.00 0.00 30.24 29.45 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 -1.41 0.05 -0.60 5.09 -2.24 -0.29 -4.86 114.28 110.02 2jkt n THR 401 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2jkt n THR 401 Cb 0.02 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.57 -1.65 -1.99 -0.78 5.02 0.03 -4.87 118.16 112.35 2jkt n LYS 402 Ca 0.07 0.27 -0.43 0.00 -2.02 0.00 0.00 58.31 56.20 2jkt n LYS 402 Cb 0.35 -3.98 -0.03 0.00 -0.02 0.00 0.00 35.03 31.35 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 -0.65 3.46 0.08 -0.18 1.01 -1.26 -4.93 120.40 117.93 2jkt s VAL 403 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 2jkt s VAL 403 Cb 0.00 -3.62 -0.16 0.00 0.00 0.00 0.00 36.38 32.59 2jkt s VAL 403 CO 0.00 -0.40 1.69 -0.55 0.00 0.00 0.00 175.10 175.84 2jkt h ASN 404 N 12.92 -0.31 -1.23 3.32 7.08 -1.94 -1.21 115.58 134.21 2jkt h ASN 404 Ca -0.34 0.01 0.36 0.00 -3.08 0.00 0.00 56.30 53.25 2jkt h ASN 404 Cb 1.17 0.08 -0.08 0.00 -2.08 0.00 0.00 38.32 37.41 2jkt h ASN 404 CO 1.03 -0.22 0.84 0.10 -2.08 0.00 0.00 177.43 177.10 2jkt h TYR 405 N -0.35 0.35 0.05 4.14 -0.00 -1.96 -1.86 116.97 117.34 2jkt h TYR 405 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 58.73 58.62 2jkt h TYR 405 Cb 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 36.73 36.92 2jkt h TYR 405 CO -0.07 -0.03 -0.40 0.28 -0.00 0.00 0.00 178.16 177.95 2jkt h VAL 406 N 0.16 1.61 0.34 -0.90 2.07 -1.64 -3.32 116.25 114.57 2jkt h VAL 406 Ca 0.66 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 2jkt h VAL 406 Cb 2.20 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 35.06 2jkt h VAL 406 CO -0.20 0.63 -0.36 0.58 0.02 0.00 0.00 177.57 178.24 2jkt h VAL 407 N -0.59 0.26 -0.93 2.57 2.07 -0.59 -2.37 116.25 116.68 2jkt h VAL 407 Ca -0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.69 2jkt h VAL 407 Cb 1.26 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2jkt h VAL 407 CO 0.08 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.86 2jkt h GLN 408 N -0.74 0.23 0.00 1.57 4.20 -1.61 0.58 115.11 119.34 2jkt h GLN 408 Ca -0.02 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 2jkt h GLN 408 Cb 0.67 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2jkt h GLN 408 CO -0.08 0.15 -0.49 0.93 -0.67 0.00 0.00 178.83 178.67 2jkt h GLU 409 N 0.24 0.00 0.16 1.46 4.39 -1.58 -3.34 114.58 115.91 2jkt h GLU 409 Ca 0.47 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.82 2jkt h GLU 409 Cb 1.46 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.11 2jkt h GLU 409 CO -0.12 0.39 -1.79 0.00 -1.16 0.00 0.00 179.01 176.32 2jkt h ALA 410 N 1.60 0.26 -0.35 3.43 0.00 0.59 -3.19 119.26 121.58 2jkt h ALA 410 Ca -0.01 -1.21 0.07 0.00 0.00 0.00 0.00 54.91 53.76 2jkt h ALA 410 Cb 1.32 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2jkt h ALA 410 CO 0.05 1.13 0.24 0.97 0.00 0.00 0.00 179.25 181.64 2jkt h ILE 411 N 0.09 0.90 0.07 0.00 6.09 -1.23 -0.08 117.51 123.35 2jkt h ILE 411 Ca -0.35 -0.05 -0.22 0.00 -1.37 0.00 0.00 64.86 62.86 2jkt h ILE 411 Cb 2.07 0.74 0.02 0.00 0.47 0.00 0.00 36.82 40.13 2jkt h ILE 411 CO 0.15 0.03 -0.92 0.58 -3.07 0.00 0.00 178.15 174.92 2jkt h VAL 412 N 0.14 1.38 -0.41 2.19 2.07 -1.67 -1.55 116.25 118.40 2jkt h VAL 412 Ca 0.16 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2jkt h VAL 412 Cb 0.46 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2jkt h VAL 412 CO -0.02 0.69 0.19 0.58 0.02 0.00 0.00 177.57 179.03 2jkt h VAL 413 N 0.03 1.18 -0.13 2.57 2.07 -1.39 -2.36 116.25 118.22 2jkt h VAL 413 Ca -0.13 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2jkt h VAL 413 Cb 1.63 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 2jkt h VAL 413 CO 0.18 0.19 -0.39 0.40 0.02 0.00 0.00 177.57 177.97 2jkt h ILE 414 N 0.52 0.19 -0.99 4.57 1.08 -1.07 0.23 117.51 122.04 2jkt h ILE 414 Ca 0.14 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.97 2jkt h ILE 414 Cb 0.13 0.19 -0.17 0.00 -3.07 0.00 0.00 36.82 33.89 2jkt h ILE 414 CO -0.02 0.00 0.41 -0.09 -0.69 0.00 0.00 178.15 177.76 2jkt h ARG 415 N -0.46 0.06 0.00 2.37 1.12 -0.95 0.77 114.38 117.29 2jkt h ARG 415 Ca 0.08 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 2jkt h ARG 415 Cb 0.60 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 2jkt h ARG 415 CO -0.38 0.04 -0.85 -0.25 -3.11 0.00 0.00 179.97 175.41 2jkt n ASP 416 N -5.28 0.68 0.09 -3.80 8.00 -0.55 -2.69 116.55 113.00 2jkt n ASP 416 Ca 0.33 0.05 -0.05 0.00 0.71 0.00 0.00 54.79 55.82 2jkt n ASP 416 Cb 1.09 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 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 0.25 0.53 2.04 0.37 -2.91 117.51 119.37 2jkt h ILE 417 Ca 0.00 -2.81 -0.01 0.00 1.00 0.00 0.00 64.86 63.03 2jkt h ILE 417 Cb 0.79 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2jkt h ILE 417 CO 0.00 0.81 -0.12 -0.26 0.00 0.00 0.00 178.15 178.58 2jkt h PHE 418 N 0.02 -0.31 0.00 1.37 0.04 -0.73 -2.42 116.94 114.92 2jkt h PHE 418 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2jkt h PHE 418 Cb 1.48 0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.73 2jkt h PHE 418 CO 0.01 -0.05 0.00 0.54 -0.60 0.00 0.00 178.31 178.21 2jkt n ARG 419 N -5.14 0.04 -0.08 1.51 1.74 -1.10 -2.68 116.66 110.94 2jkt n ARG 419 Ca -0.09 0.43 -0.08 0.00 -0.77 0.00 0.00 57.85 57.33 2jkt n ARG 419 Cb 0.22 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.94 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 -1.67 1.34 -4.71 5.56 3.00 -1.10 -2.30 118.16 118.28 2jkt n LYS 420 Ca 0.01 -0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.06 2jkt n LYS 420 Cb 0.08 -1.41 -0.17 0.00 0.00 0.00 0.00 35.03 33.53 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 -2.39 1.66 0.00 5.64 4.12 -0.92 -4.75 117.35 120.72 2jkt s TYR 421 Ca -0.09 -0.63 0.00 0.00 0.02 0.00 0.00 57.07 56.37 2jkt s TYR 421 Cb 0.05 -1.19 0.00 0.00 -1.52 0.00 0.00 41.96 39.30 2jkt s TYR 421 CO 0.64 -0.30 0.00 -2.30 0.02 0.00 0.00 175.55 173.61 2jkt n PRO 422 N 3.75 0.00 -0.13 -1.71 -0.02 -1.26 -4.54 135.00 131.09 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 0.52 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 1.95 0.00 2.55 0.23 -1.26 -4.62 115.26 114.10 2jkt n ASN 423 Ca 0.00 0.31 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 2jkt n ASN 423 Cb 0.00 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 36.89 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 -4.18 0.00 -0.93 -3.83 4.81 -1.26 -3.96 118.16 108.80 2jkt n LYS 424 Ca -0.49 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.00 2jkt n LYS 424 Cb 0.86 -1.35 0.11 0.00 0.02 0.00 0.00 35.03 34.67 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 -0.52 0.00 0.23 5.64 4.02 -1.26 -4.71 117.16 120.56 2jkt n TYR 425 Ca 0.00 -0.91 0.17 0.00 -0.01 0.00 0.00 57.90 57.14 2jkt n TYR 425 Cb 0.00 -0.18 0.73 0.00 -0.02 0.00 0.00 39.34 39.87 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 0.84 0.00 0.00 -0.72 5.08 -2.01 -2.70 114.58 115.07 2jkt h GLU 426 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jkt h GLU 426 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 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 -3.17 0.00 0.00 1.42 7.64 -1.26 -3.26 113.62 114.99 2jkt n SER 427 Ca 0.02 0.79 0.04 0.00 1.01 0.00 0.00 58.87 60.73 2jkt n SER 427 Cb 0.54 -0.29 0.18 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.54 1.23 0.15 0.44 0.13 -1.02 -3.45 119.36 115.30 2jkt n ILE 428 Ca 0.00 0.31 -0.14 0.00 -1.10 0.00 0.00 62.75 61.82 2jkt n ILE 428 Cb 0.00 -1.17 -0.06 0.00 -0.84 0.00 0.00 39.64 37.57 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 0.42 -0.54 9.51 1.08 -1.56 -1.04 117.51 125.38 2jkt h ILE 429 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 2jkt h ILE 429 Cb 0.12 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2jkt h ILE 429 CO 0.00 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 178.04 2jkt h ALA 430 N 0.14 2.28 0.39 1.87 0.00 -1.76 -1.24 119.26 120.96 2jkt h ALA 430 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jkt h ALA 430 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jkt h ALA 430 CO -0.11 -0.86 -0.19 1.15 0.00 0.00 0.00 179.25 179.25 2jkt h THR 431 N 0.00 0.00 -1.85 0.00 2.02 -1.43 -3.32 112.91 108.33 2jkt h THR 431 Ca 0.25 -0.43 0.55 0.00 0.77 0.00 0.00 66.41 67.55 2jkt h THR 431 Cb 1.41 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 2jkt h THR 431 CO -0.00 0.00 1.31 -0.07 0.37 0.00 0.00 175.52 177.12 2jkt h LEU 432 N -0.96 0.04 -3.97 2.58 4.07 -0.97 0.11 115.31 116.22 2jkt h LEU 432 Ca -0.05 0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 2jkt h LEU 432 Cb 0.40 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 2jkt h LEU 432 CO 0.09 -0.05 -0.13 0.00 -1.08 0.00 0.00 178.44 177.27 2jkt n GLU 434 N 2.35 5.06 -0.23 0.00 0.28 0.39 -4.78 120.64 123.72 2jkt n GLU 434 Ca 0.24 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.30 2jkt n GLU 434 Cb 0.61 -0.60 0.17 0.00 1.43 0.00 0.00 31.44 33.05 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 -1.07 3.08 0.00 -1.84 5.03 -0.69 -4.59 115.26 115.18 2jkt n ASN 435 Ca 0.00 -2.39 0.00 0.00 0.87 0.00 0.00 54.58 53.06 2jkt n ASN 435 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 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 -0.05 0.00 0.00 3.41 4.77 -1.26 -3.54 117.00 120.33 2jkt n LEU 436 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jkt n LEU 436 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2jkt n LEU 436 CO 0.09 0.00 0.16 0.47 -1.33 0.00 0.00 177.39 176.78 2jkt n ASP 437 N -0.70 0.00 -3.30 -1.43 9.92 -1.26 -4.33 116.55 115.45 2jkt n ASP 437 Ca 0.00 0.32 -0.38 0.00 -0.53 0.00 0.00 54.79 54.20 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 -0.37 6.85 -4.41 -2.24 3.41 -1.23 -4.86 113.62 110.77 2jkt n SER 438 Ca 0.00 -3.73 -0.45 0.00 -0.26 0.00 0.00 58.87 54.43 2jkt n SER 438 Cb 0.00 -1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 62.91 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 -4.11 5.64 -0.20 1.04 1.43 -1.26 -4.84 118.68 116.38 2jkt s LEU 439 Ca 0.44 -2.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.10 2jkt s LEU 439 Cb 0.27 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 2jkt s LEU 439 CO -0.20 -0.89 -0.34 0.47 0.23 0.00 0.00 176.35 175.61 2jkt n ASP 440 N 5.66 1.94 -4.62 2.29 8.00 -1.26 -4.68 116.55 123.88 2jkt n ASP 440 Ca 0.21 0.34 -0.63 0.00 0.71 0.00 0.00 54.79 55.42 2jkt n ASP 440 Cb 0.48 -0.76 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 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 -4.42 0.08 -0.28 -1.24 1.02 -1.26 -4.80 120.64 109.74 2jkt n GLU 441 Ca -0.22 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 56.99 2jkt n GLU 441 Cb 0.59 -1.54 0.19 0.00 -0.02 0.00 0.00 31.44 30.66 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 4.10 0.62 0.00 3.49 0.11 -2.00 -2.26 132.00 136.05 2jkt h PRO 442 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jkt h PRO 442 Cb 1.40 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jkt h PRO 442 CO 0.81 0.41 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.53 2jkt h ASP 443 N 0.64 0.00 0.03 -2.05 3.32 -1.96 -0.56 116.42 115.84 2jkt h ASP 443 Ca 0.42 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 2jkt h ASP 443 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jkt h ASP 443 CO -0.32 0.04 -0.02 0.00 -1.72 0.00 0.00 179.24 177.23 2jkt h ALA 444 N 1.96 -0.04 -0.66 3.45 0.00 -1.66 -3.10 119.26 119.21 2jkt h ALA 444 Ca -0.00 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.83 2jkt h ALA 444 Cb 0.09 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2jkt h ALA 444 CO 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 179.25 179.03 2jkt h ARG 445 N -0.99 -0.01 0.00 0.00 3.08 -1.27 0.56 114.38 115.75 2jkt h ARG 445 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jkt h ARG 445 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2jkt h ARG 445 CO 0.01 -0.01 0.25 0.00 -1.07 0.00 0.00 179.97 179.15 2jkt h ALA 446 N 1.62 1.24 0.00 0.04 0.00 -1.20 0.79 119.26 121.76 2jkt h ALA 446 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 2jkt h ALA 446 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2jkt h ALA 446 CO -0.68 -0.24 -0.93 0.00 0.00 0.00 0.00 179.25 177.40 2jkt h ALA 447 N 1.49 0.16 -0.07 0.00 0.00 0.11 -3.23 119.26 117.72 2jkt h ALA 447 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 54.91 54.02 2jkt h ALA 447 Cb 0.50 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2jkt h ALA 447 CO 0.00 0.58 -0.38 1.98 0.00 0.00 0.00 179.25 181.43 2jkt h MET 448 N -1.00 -0.47 -1.00 0.00 -1.53 -0.13 0.34 114.93 111.14 2jkt h MET 448 Ca -0.22 0.03 0.13 0.00 -3.44 0.00 0.00 59.70 56.21 2jkt h MET 448 Cb 1.01 0.11 -0.09 0.00 -0.55 0.00 0.00 31.60 32.08 2jkt h MET 448 CO -0.13 -0.31 0.63 0.82 0.14 0.00 0.00 176.91 178.05 2jkt h ILE 449 N -0.49 0.89 -0.20 1.77 2.04 0.38 0.18 117.51 122.07 2jkt h ILE 449 Ca 0.07 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 2jkt h ILE 449 Cb 0.60 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2jkt h ILE 449 CO -0.34 0.17 -0.44 -0.25 0.00 0.00 0.00 178.15 177.30 2jkt h TRP 450 N 0.95 0.59 -0.11 1.37 7.01 -1.36 -2.03 115.95 122.38 2jkt h TRP 450 Ca 0.50 -0.18 -0.10 0.00 2.11 0.00 0.00 58.89 61.22 2jkt h TRP 450 Cb 0.55 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 2jkt h TRP 450 CO -0.00 0.85 -0.39 0.82 -2.79 0.00 0.00 178.44 176.92 2jkt h ILE 451 N 0.40 1.30 -0.01 2.65 2.04 0.14 -1.74 117.51 122.30 2jkt h ILE 451 Ca 0.03 -1.47 -0.11 0.00 1.00 0.00 0.00 64.86 64.30 2jkt h ILE 451 Cb 0.93 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2jkt h ILE 451 CO 0.08 0.44 -0.53 0.58 0.00 0.00 0.00 178.15 178.72 2jkt h VAL 452 N 0.19 1.38 0.00 1.67 2.07 -0.93 -3.35 116.25 117.29 2jkt h VAL 452 Ca 0.02 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2jkt h VAL 452 Cb 0.79 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2jkt h VAL 452 CO 0.06 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.78 2jkt n GLY 453 N 0.01 -2.01 3.52 2.17 0.00 -0.74 -3.07 105.19 105.06 2jkt n GLY 453 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.48 -1.48 -1.55 1.61 4.07 -0.73 -2.94 120.64 118.13 2jkt n GLU 454 Ca 0.00 -0.39 -0.19 0.00 -0.06 0.00 0.00 57.16 56.52 2jkt n GLU 454 Cb 0.00 -2.17 -0.08 0.00 -0.06 0.00 0.00 31.44 29.13 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 -4.55 -0.01 0.20 4.31 4.02 -1.26 -4.67 117.16 115.19 2jkt n TYR 455 Ca 0.06 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.03 2jkt n TYR 455 Cb 0.54 -3.35 0.28 0.00 -0.02 0.00 0.00 39.34 36.80 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 0.03 0.90 0.00 -0.72 0.00 -1.45 -2.82 119.26 115.20 2jkt h ALA 456 Ca -0.39 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jkt h ALA 456 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jkt h ALA 456 CO 0.57 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 179.31 2jkt n GLU 457 N -3.28 0.75 -0.00 0.00 0.00 -1.26 -2.90 120.64 113.95 2jkt n GLU 457 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.20 2jkt n GLU 457 Cb 0.54 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.50 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 -0.33 -3.74 3.44 3.00 -1.06 -4.90 116.66 112.02 2jkt n ARG 458 Ca 0.19 -0.78 -0.28 0.00 -0.01 0.00 0.00 57.85 56.96 2jkt n ARG 458 Cb 0.11 -1.09 -0.16 0.00 0.00 0.00 0.00 32.46 31.32 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 -0.39 0.62 0.44 0.55 -4.36 -1.14 -4.76 121.20 112.15 2jkt s ILE 459 Ca 0.05 -0.78 0.14 0.00 -0.26 0.00 0.00 60.65 59.80 2jkt s ILE 459 Cb 0.04 -1.20 0.32 0.00 1.25 0.00 0.00 42.46 42.87 2jkt s ILE 459 CO 0.06 -0.33 2.00 0.44 0.24 0.00 0.00 174.94 177.35 2jkt h ASP 460 N 8.20 0.35 -1.24 4.36 3.32 -1.91 -1.52 116.42 127.98 2jkt h ASP 460 Ca -0.16 0.01 0.40 0.00 0.02 0.00 0.00 57.03 57.30 2jkt h ASP 460 Cb 1.09 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 2jkt h ASP 460 CO 0.37 0.22 0.79 0.78 -1.72 0.00 0.00 179.24 179.68 2jkt h ASN 461 N 0.39 0.29 -0.45 6.45 2.35 -1.93 -3.29 115.58 119.40 2jkt h ASN 461 Ca 0.25 0.14 0.08 0.00 -0.55 0.00 0.00 56.30 56.21 2jkt h ASN 461 Cb 0.47 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 2jkt h ASN 461 CO -0.06 -0.15 -0.16 0.00 -1.65 0.00 0.00 177.43 175.41 2jkt n ALA 462 N -2.49 -0.01 -0.92 -0.83 0.00 -0.57 -1.44 120.51 114.24 2jkt n ALA 462 Ca 0.35 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2jkt n ALA 462 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.53 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 -4.68 0.00 0.19 0.00 8.00 -1.24 -0.38 116.55 118.44 2jkt n ASP 463 Ca 0.05 0.26 0.14 0.00 0.71 0.00 0.00 54.79 55.95 2jkt n ASP 463 Cb 0.19 0.00 0.60 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.94 -1.24 9.09 -1.56 0.18 114.58 121.99 2jkt h GLU 464 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2jkt h GLU 464 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 2jkt h GLU 464 CO 0.00 0.00 -0.47 -0.07 0.05 0.00 0.00 179.01 178.52 2jkt h LEU 465 N 0.00 -1.13 -0.92 3.06 3.38 -0.60 -1.25 115.31 117.84 2jkt h LEU 465 Ca 0.00 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2jkt h LEU 465 Cb 0.37 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2jkt h LEU 465 CO 0.00 -0.79 -0.49 -0.07 0.09 0.00 0.00 178.44 177.19 2jkt h LEU 466 N -1.29 0.12 0.63 1.67 3.38 -0.02 -3.23 115.31 116.57 2jkt h LEU 466 Ca -0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2jkt h LEU 466 Cb 1.00 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2jkt h LEU 466 CO 0.20 0.60 -0.31 -0.08 0.09 0.00 0.00 178.44 178.94 2jkt h GLU 467 N 0.09 -0.82 -1.02 1.13 4.81 -0.64 -1.53 114.58 116.61 2jkt h GLU 467 Ca 0.00 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.54 2jkt h GLU 467 Cb 0.90 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.35 2jkt h GLU 467 CO 0.07 -0.55 0.62 0.66 -0.73 0.00 0.00 179.01 179.08 2jkt h SER 468 N -0.85 0.62 -0.33 1.04 4.64 -1.24 0.66 113.55 118.08 2jkt h SER 468 Ca -0.09 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2jkt h SER 468 Cb 0.66 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2jkt h SER 468 CO 0.14 0.11 0.19 -0.26 -0.87 0.00 0.00 176.83 176.13 2jkt h PHE 469 N 0.54 0.45 0.00 4.77 -1.00 -1.53 -2.93 116.94 117.23 2jkt h PHE 469 Ca 0.63 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.40 2jkt h PHE 469 Cb 1.29 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 2jkt h PHE 469 CO -0.01 0.34 -0.00 1.25 -1.61 0.00 0.00 178.31 178.29 2jkt h LEU 470 N 0.42 0.00 -1.70 1.54 5.85 0.14 -2.85 115.31 118.71 2jkt h LEU 470 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2jkt h LEU 470 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2jkt h LEU 470 CO -0.02 0.00 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.58 2jkt h GLU 471 N 0.00 0.00 -2.14 1.25 5.08 -1.24 -3.14 114.58 114.40 2jkt h GLU 471 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2jkt h GLU 471 Cb 0.01 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.85 2jkt h GLU 471 CO 0.00 0.17 -0.80 0.41 -1.00 0.00 0.00 179.01 177.79 2jkt n GLY 472 N -0.95 4.38 0.10 -3.84 0.00 -1.07 -4.92 105.19 98.90 2jkt n GLY 472 Ca -0.02 -2.35 -0.14 0.00 0.00 0.00 0.00 46.02 43.50 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 0.26 -0.00 1.61 3.57 -1.69 -3.27 116.94 121.13 2jkt h PHE 473 Ca 0.14 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jkt h PHE 473 Cb 0.72 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2jkt h PHE 473 CO 0.63 1.29 -0.00 -2.39 -2.23 0.00 0.00 178.31 175.61 2jkt n HIS 474 N -3.31 0.00 0.83 0.41 1.44 -1.26 -2.45 115.22 110.88 2jkt n HIS 474 Ca -0.18 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.64 2jkt n HIS 474 Cb 1.04 -0.31 0.02 0.00 0.12 0.00 0.00 29.99 30.86 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 -1.30 0.70 -4.30 4.39 10.43 -1.25 -5.02 116.55 120.21 2jkt n ASP 475 Ca 0.13 -0.51 -0.29 0.00 2.57 0.00 0.00 54.79 56.69 2jkt n ASP 475 Cb 0.25 0.77 0.16 0.00 1.84 0.00 0.00 41.12 44.15 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 -3.08 0.93 0.31 -1.24 0.41 -1.03 -5.01 118.70 110.00 2jkt s GLU 476 Ca 0.07 -0.37 -0.29 0.00 -0.41 0.00 0.00 54.97 53.97 2jkt s GLU 476 Cb 0.16 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.51 2jkt s GLU 476 CO 0.80 -2.21 1.42 -1.12 -0.49 0.00 0.00 175.26 173.66 2jkt s SER 477 N -4.83 6.61 0.45 -0.19 0.01 -1.26 -4.83 113.70 109.66 2jkt s SER 477 Ca 0.71 2.78 0.28 0.00 1.31 0.00 0.00 55.95 61.03 2jkt s SER 477 Cb -0.05 -2.64 1.53 0.00 0.21 0.00 0.00 66.02 65.06 2jkt s SER 477 CO 0.52 -0.70 1.85 0.74 0.41 0.00 0.00 173.24 176.06 2jkt h THR 478 N 3.24 0.00 0.09 1.44 2.02 -1.96 0.37 112.91 118.11 2jkt h THR 478 Ca -0.48 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 2jkt h THR 478 Cb 1.23 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2jkt h THR 478 CO 0.71 0.00 -0.71 -0.61 0.37 0.00 0.00 175.52 175.28 2jkt h GLN 479 N 0.00 0.19 -0.26 6.66 4.15 -1.98 -3.08 115.11 120.80 2jkt h GLN 479 Ca 0.00 -0.33 -0.17 0.00 0.77 0.00 0.00 58.65 58.92 2jkt h GLN 479 Cb 0.13 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 2jkt h GLN 479 CO 0.00 1.16 -0.54 -0.39 -1.93 0.00 0.00 178.83 177.13 2jkt h VAL 480 N -0.57 1.29 -0.77 2.39 -1.51 -1.71 -0.67 116.25 114.70 2jkt h VAL 480 Ca -0.14 -1.74 0.08 0.00 -1.23 0.00 0.00 66.70 63.67 2jkt h VAL 480 Cb 1.46 1.66 -0.11 0.00 -2.13 0.00 0.00 31.29 32.18 2jkt h VAL 480 CO 0.07 0.56 -0.56 1.56 -1.23 0.00 0.00 177.57 177.98 2jkt h GLN 481 N 0.58 -0.14 -0.52 5.19 4.20 -0.41 1.05 115.11 125.05 2jkt h GLN 481 Ca 0.02 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2jkt h GLN 481 Cb 1.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 2jkt h GLN 481 CO 0.11 -0.10 0.13 -0.07 -0.67 0.00 0.00 178.83 178.24 2jkt h LEU 482 N -0.15 0.74 -0.60 1.46 4.07 -1.44 -2.30 115.31 117.09 2jkt h LEU 482 Ca 0.14 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 2jkt h LEU 482 Cb 0.49 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 2jkt h LEU 482 CO -0.81 0.72 -0.50 0.74 -1.08 0.00 0.00 178.44 177.51 2jkt h THR 483 N 0.77 1.04 -0.20 0.22 2.02 0.58 -2.87 112.91 114.47 2jkt h THR 483 Ca 0.17 -1.96 -0.21 0.00 0.77 0.00 0.00 66.41 65.18 2jkt h THR 483 Cb 0.28 2.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2jkt h THR 483 CO -0.00 0.49 -0.70 0.25 0.37 0.00 0.00 175.52 175.93 2jkt h LEU 484 N 0.00 0.96 -0.47 2.58 5.85 0.12 -1.14 115.31 123.22 2jkt h LEU 484 Ca -0.01 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 2jkt h LEU 484 Cb 1.13 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2jkt h LEU 484 CO 0.07 1.39 0.25 0.25 -0.34 0.00 0.00 178.44 180.06 2jkt h LEU 485 N 0.59 0.58 -1.53 2.25 6.46 -1.43 0.75 115.31 122.98 2jkt h LEU 485 Ca -0.03 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 2jkt h LEU 485 Cb 1.32 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2jkt h LEU 485 CO 0.15 0.51 -0.09 0.74 -0.62 0.00 0.00 178.44 179.13 2jkt h THR 486 N 0.61 0.26 0.06 1.05 2.02 -1.45 -2.97 112.91 112.49 2jkt h THR 486 Ca 0.16 -0.67 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 2jkt h THR 486 Cb 0.05 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2jkt h THR 486 CO -0.03 0.09 -0.84 0.00 0.37 0.00 0.00 175.52 175.11 2jkt h ALA 487 N 1.91 0.10 -0.74 6.16 0.00 -0.27 -3.08 119.26 123.34 2jkt h ALA 487 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 2jkt h ALA 487 Cb 0.52 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2jkt h ALA 487 CO 0.01 0.47 0.35 0.82 0.00 0.00 0.00 179.25 180.90 2jkt h ILE 488 N -0.70 1.24 -0.57 0.00 2.04 -0.94 -1.44 117.51 117.14 2jkt h ILE 488 Ca -0.19 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 2jkt h ILE 488 Cb 1.40 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2jkt h ILE 488 CO -0.01 0.29 0.32 0.58 0.00 0.00 0.00 178.15 179.33 2jkt h VAL 489 N 1.05 1.19 -0.53 1.67 2.07 -1.68 -1.10 116.25 118.91 2jkt h VAL 489 Ca 0.25 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2jkt h VAL 489 Cb 0.14 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2jkt h VAL 489 CO -0.03 0.20 0.08 0.11 0.02 0.00 0.00 177.57 177.95 2jkt h LYS 490 N 0.77 0.20 -0.10 1.57 1.57 -1.35 -1.72 116.57 117.51 2jkt h LYS 490 Ca 0.20 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2jkt h LYS 490 Cb 0.04 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2jkt h LYS 490 CO -0.03 0.13 -0.10 1.25 -0.57 0.00 0.00 179.45 180.13 2jkt h LEU 491 N 0.20 -0.30 -0.87 2.94 5.85 -0.73 -2.25 115.31 120.15 2jkt h LEU 491 Ca 0.27 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2jkt h LEU 491 Cb 0.39 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2jkt h LEU 491 CO -0.38 -0.13 0.00 0.33 -0.34 0.00 0.00 178.44 177.92 2jkt n PHE 492 N -5.24 0.72 0.35 1.25 7.35 -0.47 0.78 117.46 122.20 2jkt n PHE 492 Ca -0.04 0.31 0.11 0.00 -0.76 0.00 0.00 57.45 57.08 2jkt n PHE 492 Cb 0.16 -1.00 -0.02 0.00 0.35 0.00 0.00 39.48 38.96 2jkt n PHE 492 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2jkt n LEU 493 N -2.19 0.56 -0.05 -2.13 4.32 -0.83 -3.54 117.00 113.14 2jkt n LEU 493 Ca 0.01 0.06 -0.20 0.00 -0.02 0.00 0.00 56.01 55.86 2jkt n LEU 493 Cb 0.16 -0.07 -0.13 0.00 -1.62 0.00 0.00 43.42 41.76 2jkt n LEU 493 CO 0.16 -0.02 -1.00 0.29 -1.22 0.00 0.00 177.39 175.60 2jkt n LYS 494 N -2.19 0.71 -3.22 3.23 5.02 0.89 -4.70 118.16 117.91 2jkt n LYS 494 Ca 0.00 0.24 -0.24 0.00 -2.02 0.00 0.00 58.31 56.29 2jkt n LYS 494 Cb 0.49 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 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 -3.46 1.45 -2.17 1.97 5.02 0.23 -5.05 118.16 116.15 2jkt n LYS 495 Ca -0.37 -3.76 -0.36 0.00 -2.02 0.00 0.00 58.31 51.79 2jkt n LYS 495 Cb 1.01 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.97 3.48 0.00 1.97 0.02 -1.23 -3.01 135.00 134.25 2jkt s PRO 496 Ca 0.39 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2jkt s PRO 496 Cb 0.21 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2jkt s PRO 496 CO -0.08 -0.79 0.00 -1.13 -0.33 0.00 0.00 177.00 174.67 2jkt n SER 497 N -0.91 0.00 0.11 2.53 3.41 -1.26 -4.71 113.62 112.79 2jkt n SER 497 Ca 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.76 2jkt n SER 497 Cb 0.49 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.07 -0.46 4.33 1.02 -1.16 -2.66 120.64 121.76 2jkt n GLU 498 Ca 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2jkt n GLU 498 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 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 -1.83 0.00 -0.06 2.62 5.66 -1.23 -4.89 114.28 114.54 2jkt n THR 499 Ca -0.01 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.09 2jkt n THR 499 Cb 0.23 0.36 0.48 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 0.00 0.44 0.20 1.09 1.08 -1.81 -2.90 115.11 113.21 2jkt h GLN 500 Ca 0.00 -0.03 -0.27 0.00 -1.45 0.00 0.00 58.65 56.90 2jkt h GLN 500 Cb 1.25 -0.10 0.03 0.00 -0.05 0.00 0.00 27.48 28.61 2jkt h GLN 500 CO 0.00 0.29 -1.20 1.49 -0.95 0.00 0.00 178.83 178.47 2jkt h GLU 501 N 0.46 0.42 -0.01 1.46 4.81 -1.90 -3.34 114.58 116.48 2jkt h GLU 501 Ca 0.24 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2jkt h GLU 501 Cb 0.36 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2jkt h GLU 501 CO -0.07 1.34 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.40 2jkt h LEU 502 N -0.11 -0.26 -1.26 1.64 3.38 -1.89 -1.29 115.31 115.53 2jkt h LEU 502 Ca -0.21 0.03 0.44 0.00 0.09 0.00 0.00 57.88 58.23 2jkt h LEU 502 Cb 1.92 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 42.62 2jkt h LEU 502 CO 0.21 -0.08 0.76 -0.37 0.09 0.00 0.00 178.44 179.05 2jkt h VAL 503 N -0.10 0.05 0.21 1.22 -1.51 -1.72 0.54 116.25 114.94 2jkt h VAL 503 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 2jkt h VAL 503 Cb 0.11 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.27 2jkt h VAL 503 CO -0.06 0.01 -0.10 1.56 -1.23 0.00 0.00 177.57 177.75 2jkt h GLN 504 N 0.04 -0.27 -0.58 5.19 4.20 -1.46 -1.93 115.11 120.30 2jkt h GLN 504 Ca 0.85 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.59 2jkt h GLN 504 Cb 2.53 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 30.34 2jkt h GLN 504 CO -0.55 0.01 0.38 1.96 -0.67 0.00 0.00 178.83 179.95 2jkt h GLN 505 N -0.54 0.74 0.12 1.46 4.20 0.11 0.27 115.11 121.47 2jkt h GLN 505 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2jkt h GLN 505 Cb 0.40 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jkt h GLN 505 CO 0.05 0.49 -0.07 0.28 -0.67 0.00 0.00 178.83 178.90 2jkt h VAL 506 N 0.76 0.00 -0.96 -0.54 2.07 -1.29 -0.54 116.25 115.76 2jkt h VAL 506 Ca 0.22 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.01 2jkt h VAL 506 Cb -0.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.58 2jkt h VAL 506 CO -0.06 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.93 2jkt h LEU 507 N -0.18 0.41 -0.06 2.57 3.38 -1.28 0.59 115.31 120.74 2jkt h LEU 507 Ca -0.02 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2jkt h LEU 507 Cb 0.14 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jkt h LEU 507 CO 0.02 -0.06 -0.12 -1.28 0.09 0.00 0.00 178.44 177.09 2jkt h SER 508 N 0.38 -0.37 0.30 -0.43 0.87 -0.75 -1.42 113.55 112.14 2jkt h SER 508 Ca 0.64 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 61.15 2jkt h SER 508 Cb 1.33 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2jkt h SER 508 CO -0.57 -0.17 -0.47 -0.07 -0.53 0.00 0.00 176.83 175.02 2jkt h LEU 509 N -0.18 0.22 -0.52 2.23 3.38 0.18 0.63 115.31 121.25 2jkt h LEU 509 Ca 0.06 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2jkt h LEU 509 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jkt h LEU 509 CO -0.17 0.66 -0.66 0.00 0.09 0.00 0.00 178.44 178.36 2jkt h ALA 510 N 1.35 0.72 0.12 1.53 0.00 -0.96 0.19 119.26 122.21 2jkt h ALA 510 Ca 0.01 -0.58 -0.34 0.00 0.00 0.00 0.00 54.91 54.00 2jkt h ALA 510 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jkt h ALA 510 CO 0.07 0.75 -1.84 1.15 0.00 0.00 0.00 179.25 179.39 2jkt h THR 511 N 0.23 0.73 0.02 0.00 2.02 -0.88 -3.29 112.91 111.73 2jkt h THR 511 Ca -0.02 -2.35 -0.40 0.00 0.77 0.00 0.00 66.41 64.41 2jkt h THR 511 Cb 1.21 2.53 -0.06 0.00 -1.74 0.00 0.00 68.15 70.09 2jkt h THR 511 CO 0.11 0.82 -2.30 0.00 0.37 0.00 0.00 175.52 174.52 2jkt n GLN 512 N -3.64 0.63 -0.05 6.66 1.13 0.22 -4.75 117.38 117.58 2jkt n GLN 512 Ca -0.30 0.26 -0.20 0.00 -1.94 0.00 0.00 57.00 54.81 2jkt n GLN 512 Cb 1.00 -1.56 -0.13 0.00 0.11 0.00 0.00 30.24 29.66 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 -0.46 0.17 -3.38 1.08 3.58 -1.59 -3.46 116.42 112.36 2jkt h ASP 513 Ca -0.58 -0.76 -0.52 0.00 0.42 0.00 0.00 57.03 55.59 2jkt h ASP 513 Cb 1.75 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 42.76 2jkt h ASP 513 CO -0.20 1.46 0.57 -0.55 -2.88 0.00 0.00 179.24 177.64 2jkt s SER 514 N -6.81 7.06 -0.04 2.28 0.15 0.04 -4.96 113.70 111.41 2jkt s SER 514 Ca -0.23 2.20 0.11 0.00 0.70 0.00 0.00 55.95 58.73 2jkt s SER 514 Cb 0.04 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.07 2jkt s SER 514 CO 0.69 -0.42 1.26 -0.90 1.20 0.00 0.00 173.24 175.07 2jkt n ASP 515 N 2.94 3.02 -4.57 5.45 5.68 -1.26 -4.68 116.55 123.12 2jkt n ASP 515 Ca 0.06 -2.26 -0.41 0.00 -0.50 0.00 0.00 54.79 51.69 2jkt n ASP 515 Cb 0.45 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.26 5.67 0.51 -1.12 3.84 -1.26 -4.89 114.94 116.44 2jkt s ASN 516 Ca 0.25 0.61 0.34 0.00 0.21 0.00 0.00 52.86 54.27 2jkt s ASN 516 Cb 0.16 -2.53 1.48 0.00 -0.55 0.00 0.00 41.25 39.81 2jkt s ASN 516 CO 0.12 -2.01 1.77 -0.65 -2.79 0.00 0.00 177.10 173.55 2jkt h PRO 517 N 13.35 0.07 -0.06 0.43 0.11 -1.99 -0.87 132.00 143.04 2jkt h PRO 517 Ca -0.28 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 2jkt h PRO 517 Cb 1.15 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2jkt h PRO 517 CO 1.15 0.05 -0.73 0.22 -0.21 0.00 0.00 178.00 178.48 2jkt h ASP 518 N 0.08 0.42 0.47 -2.05 3.58 -1.98 -2.07 116.42 114.86 2jkt h ASP 518 Ca 0.61 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 2jkt h ASP 518 Cb 2.25 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 43.19 2jkt h ASP 518 CO -0.08 1.01 -0.22 0.25 -2.88 0.00 0.00 179.24 177.31 2jkt h LEU 519 N 0.24 -0.53 -1.02 2.28 5.85 -1.54 -2.97 115.31 117.61 2jkt h LEU 519 Ca -0.03 -0.09 0.26 0.00 0.84 0.00 0.00 57.88 58.86 2jkt h LEU 519 Cb 1.30 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.34 2jkt h LEU 519 CO 0.12 -0.17 0.60 -0.09 -0.34 0.00 0.00 178.44 178.56 2jkt h ARG 520 N -0.94 0.52 0.64 1.25 2.43 -1.36 0.22 114.38 117.13 2jkt h ARG 520 Ca -0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2jkt h ARG 520 Cb 0.59 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2jkt h ARG 520 CO 0.11 0.34 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.13 2jkt h ASP 521 N 0.53 -0.84 -0.03 -3.80 5.19 -1.38 -2.24 116.42 113.87 2jkt h ASP 521 Ca 0.66 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 57.11 2jkt h ASP 521 Cb 1.31 0.23 -0.00 0.00 0.18 0.00 0.00 39.33 41.05 2jkt h ASP 521 CO -0.49 -0.56 0.02 0.03 -3.12 0.00 0.00 179.24 175.13 2jkt h ARG 522 N -0.91 0.00 0.15 3.56 3.08 -0.87 0.20 114.38 119.60 2jkt h ARG 522 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2jkt h ARG 522 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2jkt h ARG 522 CO 0.12 0.00 -0.20 0.78 -1.07 0.00 0.00 179.97 179.60 2jkt h GLY 523 N 0.00 -0.99 0.63 0.04 0.00 -0.29 -2.50 103.07 99.96 2jkt h GLY 523 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.83 2jkt h GLY 523 CO -0.00 -0.33 -0.09 -0.97 0.00 0.00 0.00 176.54 175.15 2jkt h TYR 524 N -0.36 -0.21 -0.83 5.60 -1.99 -0.66 -2.53 116.97 115.99 2jkt h TYR 524 Ca -0.02 0.02 0.20 0.00 2.00 0.00 0.00 58.73 60.93 2jkt h TYR 524 Cb 0.32 0.11 -0.15 0.00 2.00 0.00 0.00 36.73 39.02 2jkt h TYR 524 CO -0.20 -0.13 0.04 0.82 -0.00 0.00 0.00 178.16 178.69 2jkt h ILE 525 N -0.09 0.26 0.31 -2.88 5.03 -0.60 0.20 117.51 119.74 2jkt h ILE 525 Ca 0.08 -0.03 -0.02 0.00 -0.12 0.00 0.00 64.86 64.77 2jkt h ILE 525 Cb 0.20 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.15 2jkt h ILE 525 CO -0.18 0.02 -0.15 1.88 -0.68 0.00 0.00 178.15 179.04 2jkt h TYR 526 N 0.10 -0.39 -0.56 1.37 0.99 -1.30 -2.06 116.97 115.12 2jkt h TYR 526 Ca 0.48 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 61.31 2jkt h TYR 526 Cb 0.89 0.13 -0.11 0.00 1.00 0.00 0.00 36.73 38.65 2jkt h TYR 526 CO -0.42 -0.04 -0.13 2.35 -0.00 0.00 0.00 178.16 179.91 2jkt h TRP 527 N -0.85 -0.28 -0.10 4.88 7.01 -0.69 0.31 115.95 126.23 2jkt h TRP 527 Ca -0.04 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2jkt h TRP 527 Cb 0.52 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2jkt h TRP 527 CO 0.03 -0.24 0.04 0.00 -2.79 0.00 0.00 178.44 175.49 2jkt h ARG 528 N 0.01 0.09 -0.33 2.65 3.08 -0.76 -1.21 114.38 117.90 2jkt h ARG 528 Ca 0.27 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2jkt h ARG 528 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2jkt h ARG 528 CO -0.57 0.06 0.12 1.25 -1.07 0.00 0.00 179.97 179.76 2jkt h LEU 529 N 0.09 0.46 0.67 3.04 5.85 -0.46 -2.31 115.31 122.66 2jkt h LEU 529 Ca 0.04 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2jkt h LEU 529 Cb 0.02 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2jkt h LEU 529 CO -0.04 0.51 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.01 2jkt h LEU 530 N 0.38 -1.28 0.00 2.25 3.38 -0.39 -2.32 115.31 117.33 2jkt h LEU 530 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jkt h LEU 530 Cb 0.20 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jkt h LEU 530 CO -0.01 -0.71 0.00 -1.54 0.09 0.00 0.00 178.44 176.27 2jkt n SER 531 N -5.60 0.00 -0.00 -0.43 3.41 -0.46 -3.07 113.62 107.47 2jkt n SER 531 Ca -0.14 0.41 0.02 0.00 -0.26 0.00 0.00 58.87 58.90 2jkt n SER 531 Cb 0.48 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.46 0.00 -2.73 6.66 -2.24 -0.88 -4.93 114.28 108.71 2jkt n THR 532 Ca 0.06 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 2jkt n THR 532 Cb 0.22 0.81 0.05 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.26 -2.52 0.13 3.42 2.03 -0.88 -5.01 116.55 112.46 2jkt n ASP 533 Ca 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 54.79 52.61 2jkt n ASP 533 Cb 0.07 1.47 0.24 0.00 -0.72 0.00 0.00 41.12 42.18 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 4.00 0.12 0.00 -0.67 0.11 -1.65 0.16 132.00 134.08 2jkt h PRO 534 Ca -0.12 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 2jkt h PRO 534 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jkt h PRO 534 CO 0.12 0.57 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.14 2jkt h VAL 535 N 0.10 0.39 0.07 3.15 3.04 -1.91 -1.33 116.25 119.77 2jkt h VAL 535 Ca 0.00 -0.52 -0.34 0.00 -1.01 0.00 0.00 66.70 64.83 2jkt h VAL 535 Cb 0.86 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 2jkt h VAL 535 CO 0.07 0.09 -1.93 0.41 -1.01 0.00 0.00 177.57 175.20 2jkt n THR 536 N -3.45 1.70 -0.32 3.17 -1.04 -0.46 -3.47 114.28 110.42 2jkt n THR 536 Ca -0.01 -0.71 0.11 0.00 -2.04 0.00 0.00 64.05 61.40 2jkt n THR 536 Cb 0.25 -1.45 0.32 0.00 -1.82 0.00 0.00 70.33 67.63 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 0.42 1.70 -0.11 2.41 0.00 -0.14 0.40 119.26 123.93 2jkt h ALA 537 Ca -0.39 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2jkt h ALA 537 Cb 2.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2jkt h ALA 537 CO 0.08 0.02 -0.67 -0.22 0.00 0.00 0.00 179.25 178.46 2jkt h LYS 538 N 0.81 0.46 -0.32 0.00 3.64 -1.43 -2.16 116.57 117.56 2jkt h LYS 538 Ca 0.50 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2jkt h LYS 538 Cb 0.71 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jkt h LYS 538 CO -0.27 0.96 0.20 0.93 -2.27 0.00 0.00 179.45 179.01 2jkt h GLU 539 N 0.33 0.40 0.03 1.90 4.39 -0.63 -2.94 114.58 118.06 2jkt h GLU 539 Ca -0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jkt h GLU 539 Cb 1.23 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2jkt h GLU 539 CO 0.12 0.26 -0.01 0.28 -1.16 0.00 0.00 179.01 178.50 2jkt h VAL 540 N 0.41 0.00 0.00 3.13 2.07 -0.33 -3.38 116.25 118.15 2jkt h VAL 540 Ca 0.12 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2jkt h VAL 540 Cb -0.03 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 2jkt h VAL 540 CO -0.04 0.00 -0.22 -0.37 0.02 0.00 0.00 177.57 176.96 2jkt h VAL 541 N -0.08 0.69 0.00 2.57 -1.51 -1.54 -3.41 116.25 112.97 2jkt h VAL 541 Ca -0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 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 0.22 0.00 0.18 -1.23 0.00 0.00 177.57 176.74 2jkt n LEU 542 N -3.59 0.00 -1.66 4.19 4.77 -1.11 -5.01 117.00 114.59 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 0.33 0.00 -0.47 -1.54 -1.33 0.00 0.00 177.39 174.38 2jkt n SER 543 N 0.00 -8.94 -4.67 -1.43 3.41 -1.26 -4.69 113.62 96.04 2jkt n SER 543 Ca 0.00 1.30 -0.42 0.00 -0.26 0.00 0.00 58.87 59.48 2jkt n SER 543 Cb 0.00 -5.03 -0.03 0.00 -0.26 0.00 0.00 64.21 58.89 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 -3.62 4.17 0.65 4.33 2.02 -1.26 -4.99 118.70 120.01 2jkt s GLU 544 Ca 0.00 2.39 -0.15 0.00 0.02 0.00 0.00 54.97 57.24 2jkt s GLU 544 Cb 0.00 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.34 2jkt s GLU 544 CO 0.00 -0.85 1.10 0.15 0.02 0.00 0.00 175.26 175.68 2jkt s LYS 545 N 3.63 2.90 0.97 1.61 3.01 -1.26 -5.05 119.74 125.54 2jkt s LYS 545 Ca 0.79 1.32 -0.16 0.00 -1.01 0.00 0.00 55.97 56.91 2jkt s LYS 545 Cb -0.39 -1.97 0.23 0.00 -1.01 0.00 0.00 37.83 34.69 2jkt s LYS 545 CO 0.35 -1.16 1.02 -2.30 0.51 0.00 0.00 175.35 173.77 2jkt n PRO 546 N -2.40 -2.12 -2.48 -1.68 -0.02 -1.26 -4.97 135.00 120.08 2jkt n PRO 546 Ca 0.10 -1.61 -0.42 0.00 -2.02 0.00 0.00 63.50 59.54 2jkt n PRO 546 Cb 0.52 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.35 2.45 1.43 -1.26 -4.98 118.68 120.95 2jkt s LEU 547 Ca 0.63 1.79 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 2jkt s LEU 547 Cb -0.04 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 2jkt s LEU 547 CO 0.46 -0.57 1.40 0.27 0.23 0.00 0.00 176.35 178.14 2jkt s ILE 548 N 2.22 2.38 -0.11 -0.59 -4.36 -0.97 -5.01 121.20 114.75 2jkt s ILE 548 Ca 0.55 0.38 -0.06 0.00 -0.26 0.00 0.00 60.65 61.26 2jkt s ILE 548 Cb -0.24 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.19 2jkt s ILE 548 CO 0.21 0.09 0.11 -0.94 0.24 0.00 0.00 174.94 174.65 2jkt s SER 549 N -0.30 6.10 0.00 4.36 1.04 -1.26 -4.76 113.70 118.88 2jkt s SER 549 Ca 0.51 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2jkt s SER 549 Cb -0.43 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2jkt s SER 549 CO 0.58 0.40 0.00 -1.84 0.98 0.00 0.00 173.24 173.36 2jkt n GLU 550 N 2.01 1.41 0.00 4.02 0.00 -1.26 -5.08 120.64 121.73 2jkt n GLU 550 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.96 2jkt n GLU 550 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.99 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 0.01 3.44 4.71 -1.26 -5.09 120.64 122.45 2jkt n GLU 551 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.15 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 -3.48 112.91 111.33 2jkt h THR 552 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 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 -2.12 0.00 -0.21 5.36 8.00 -1.26 -4.90 116.55 121.42 2jkt n ASP 553 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jkt n ASP 553 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 -5.14 117.00 111.63 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 -0.36 -0.63 -1.22 0.00 0.00 177.39 175.18 2jkt s ILE 555 N 3.08 0.09 0.12 -0.08 1.01 -1.26 -5.11 121.20 119.05 2jkt s ILE 555 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 60.65 59.84 2jkt s ILE 555 Cb 0.00 -0.16 -0.17 0.00 0.01 0.00 0.00 42.46 42.14 2jkt s ILE 555 CO 0.00 -0.23 1.08 1.21 0.00 0.00 0.00 174.94 176.99 2jkt n GLU 556 N 2.35 0.70 0.30 2.79 2.13 -1.26 -4.72 120.64 122.94 2jkt n GLU 556 Ca -0.18 0.25 0.17 0.00 0.66 0.00 0.00 57.16 58.06 2jkt n GLU 556 Cb 0.57 -1.70 0.97 0.00 0.27 0.00 0.00 31.44 31.55 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 3.13 0.00 0.12 5.31 0.13 -1.99 -0.91 132.00 137.78 2jkt h PRO 557 Ca -0.44 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 2jkt h PRO 557 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2jkt h PRO 557 CO 0.68 0.02 -1.78 1.79 -0.23 0.00 0.00 178.00 178.48 2jkt h THR 558 N 0.00 0.86 0.02 1.56 1.35 -2.00 -3.19 112.91 111.51 2jkt h THR 558 Ca -0.00 -2.55 -0.21 0.00 -0.55 0.00 0.00 66.41 63.09 2jkt h THR 558 Cb 0.07 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 2jkt h THR 558 CO 0.00 0.81 -0.94 0.25 -0.25 0.00 0.00 175.52 175.39 2jkt h LEU 559 N 0.07 0.35 0.23 3.87 5.85 -1.85 -2.68 115.31 121.16 2jkt h LEU 559 Ca -0.34 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.10 2jkt h LEU 559 Cb 2.04 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.93 2jkt h LEU 559 CO 0.13 1.11 -0.35 0.25 -0.34 0.00 0.00 178.44 179.24 2jkt h LEU 560 N 0.14 -0.98 -0.76 2.25 5.85 -1.32 -1.67 115.31 118.81 2jkt h LEU 560 Ca -0.06 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.93 2jkt h LEU 560 Cb 1.58 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 42.84 2jkt h LEU 560 CO 0.15 -0.46 0.15 0.44 -0.34 0.00 0.00 178.44 178.38 2jkt h ASP 561 N -0.65 -0.07 0.02 1.25 3.32 -1.59 0.45 116.42 119.15 2jkt h ASP 561 Ca 0.00 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2jkt h ASP 561 Cb 0.63 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2jkt h ASP 561 CO -0.13 -0.09 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.20 2jkt h GLU 562 N 0.22 0.00 -0.04 3.56 4.81 -0.96 -2.65 114.58 119.52 2jkt h GLU 562 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2jkt h GLU 562 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2jkt h GLU 562 CO -0.57 0.01 0.00 1.47 -0.73 0.00 0.00 179.01 179.20 2jkt n LEU 563 N -4.38 2.05 0.21 1.64 -0.00 -0.22 -3.71 117.00 112.59 2jkt n LEU 563 Ca -0.03 -1.08 0.09 0.00 -0.00 0.00 0.00 56.01 54.99 2jkt n LEU 563 Cb 0.10 -0.02 0.34 0.00 -0.00 0.00 0.00 43.42 43.84 2jkt n LEU 563 CO 0.33 0.40 0.75 0.40 -0.00 0.00 0.00 177.39 179.27 2jkt h ILE 564 N 2.28 0.47 -0.31 1.47 1.08 -0.64 -3.00 117.51 118.85 2jkt h ILE 564 Ca 0.00 -1.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.10 2jkt h ILE 564 Cb 0.51 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 2jkt h ILE 564 CO 0.00 0.22 -0.18 0.00 -0.69 0.00 0.00 178.15 177.50 2jkt n HIS 566 N -4.15 2.33 -0.15 0.00 8.25 -1.14 -4.79 115.22 115.58 2jkt n HIS 566 Ca 0.00 -1.34 0.28 0.00 -0.26 0.00 0.00 57.72 56.40 2jkt n HIS 566 Cb 0.37 -0.73 0.68 0.00 1.12 0.00 0.00 29.99 31.44 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 1.49 0.29 0.19 1.59 2.04 -1.59 0.15 117.51 121.67 2jkt h ILE 567 Ca 0.39 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.94 2jkt h ILE 567 Cb 2.33 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2jkt h ILE 567 CO 0.78 0.00 -1.36 1.23 0.00 0.00 0.00 178.15 178.80 2jkt h GLY 568 N 0.00 0.46 -0.86 5.37 0.00 -1.86 -3.45 103.07 102.73 2jkt h GLY 568 Ca 0.41 -1.18 -0.43 0.00 0.00 0.00 0.00 47.33 46.13 2jkt h GLY 568 CO -0.00 1.04 0.25 -1.35 0.00 0.00 0.00 176.54 176.47 2jkt s SER 569 N -7.36 2.01 0.40 0.19 1.04 0.51 -4.83 113.70 105.65 2jkt s SER 569 Ca -0.06 0.57 0.13 0.00 0.48 0.00 0.00 55.95 57.07 2jkt s SER 569 Cb 0.06 -0.80 0.96 0.00 0.10 0.00 0.00 66.02 66.33 2jkt s SER 569 CO 0.92 -3.44 1.91 -0.07 0.98 0.00 0.00 173.24 173.53 2jkt h LEU 570 N -2.12 0.49 0.00 2.42 3.38 -1.94 -0.17 115.31 117.37 2jkt h LEU 570 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jkt h LEU 570 Cb 1.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2jkt h LEU 570 CO 0.40 0.26 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2jkt n ALA 571 N -2.49 2.00 -0.05 1.53 0.00 -1.26 -0.03 120.51 120.21 2jkt n ALA 571 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2jkt n ALA 571 Cb 0.48 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.76 0.09 0.00 0.00 7.64 -0.08 -4.51 113.62 116.00 2jkt n SER 572 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2jkt n SER 572 Cb 0.03 1.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 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 -2.46 0.00 -1.74 0.44 0.31 0.95 -4.25 118.33 111.59 2jkt n VAL 573 Ca -0.17 0.24 -0.39 0.00 -0.01 0.00 0.00 64.34 64.01 2jkt n VAL 573 Cb 0.82 -0.82 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2jkt n VAL 573 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2jkt n TYR 574 N -1.36 2.36 0.90 3.52 4.01 -0.85 -4.87 117.16 120.86 2jkt n TYR 574 Ca 0.00 0.45 0.10 0.00 -0.16 0.00 0.00 57.90 58.28 2jkt n TYR 574 Cb 0.00 -2.39 0.29 0.00 -0.31 0.00 0.00 39.34 36.93 2jkt n TYR 574 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2jkt n HIS 575 N -0.62 0.37 -2.23 -0.72 8.25 -1.26 -4.31 115.22 114.70 2jkt n HIS 575 Ca 0.08 -0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 2jkt n HIS 575 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.63 4.44 0.84 -0.41 1.02 -1.26 -4.96 119.74 117.78 2jkt s LYS 576 Ca 0.32 2.08 -0.10 0.00 0.02 0.00 0.00 55.97 58.29 2jkt s LYS 576 Cb 0.18 -3.11 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 2jkt s LYS 576 CO 0.25 -0.08 1.12 -1.25 -0.92 0.00 0.00 175.35 174.48 2jkt s PRO 577 N -1.56 1.63 0.45 -1.68 0.04 -1.26 -4.58 135.00 128.05 2jkt s PRO 577 Ca 0.48 1.38 0.19 0.00 0.04 0.00 0.00 61.00 63.09 2jkt s PRO 577 Cb -0.37 -1.81 1.03 0.00 0.04 0.00 0.00 34.50 33.38 2jkt s PRO 577 CO 0.48 -2.15 1.52 -1.35 0.04 0.00 0.00 177.00 175.54 2jkt h PRO 578 N -1.47 0.00 0.00 0.56 0.11 -1.94 -1.29 132.00 127.98 2jkt h PRO 578 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jkt h PRO 578 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jkt h PRO 578 CO 0.46 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 2jkt n ASN 579 N -2.36 0.26 -1.27 -2.05 3.02 -1.26 -3.23 115.26 108.36 2jkt n ASN 579 Ca -0.01 0.54 0.05 0.00 -0.03 0.00 0.00 54.58 55.12 2jkt n ASN 579 Cb 0.35 -0.60 0.25 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.59 3.19 -3.37 5.41 0.00 -0.49 -4.77 120.51 118.89 2jkt n ALA 580 Ca 0.05 -1.12 0.02 0.00 0.00 0.00 0.00 53.44 52.39 2jkt n ALA 580 Cb 0.31 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.96 -0.64 0.00 0.00 -0.00 -1.20 -5.08 117.98 109.10 2jkt s PHE 581 Ca 0.34 1.08 0.00 0.00 -0.00 0.00 0.00 56.93 58.35 2jkt s PHE 581 Cb 0.24 0.37 0.00 0.00 -0.00 0.00 0.00 43.02 43.63 2jkt s PHE 581 CO 0.12 -0.32 0.00 0.28 -0.00 0.00 0.00 175.22 175.30