#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbk h MET 58 N 0.00 -0.17 -0.76 1.20 1.85 -2.00 -1.02 114.93 114.03 2jbk h MET 58 Ca 0.00 0.01 0.12 0.00 -0.61 0.00 0.00 59.70 59.22 2jbk h MET 58 Cb 0.00 0.04 -0.13 0.00 0.43 0.00 0.00 31.60 31.94 2jbk h MET 58 CO 0.00 -0.11 -0.39 0.87 -0.40 0.00 0.00 176.91 176.88 2jbk h LYS 59 N -0.17 -0.10 -0.46 0.39 6.56 -2.02 0.76 116.57 121.52 2jbk h LYS 59 Ca 0.07 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.76 2jbk h LYS 59 Cb 0.27 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.86 2jbk h LYS 59 CO -0.18 -0.07 -0.15 0.00 -2.06 0.00 0.00 179.45 177.00 2jbk h ALA 60 N 1.03 0.25 0.04 3.86 0.00 -1.65 -1.52 119.26 121.27 2jbk h ALA 60 Ca 0.26 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2jbk h ALA 60 Cb 0.56 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2jbk h ALA 60 CO -0.81 -0.48 -0.38 0.35 0.00 0.00 0.00 179.25 177.93 2jbk h PHE 61 N -0.04 -1.06 -0.21 0.00 3.57 0.11 -1.67 116.94 117.64 2jbk h PHE 61 Ca 0.22 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2jbk h PHE 61 Cb 0.38 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 2jbk h PHE 61 CO -0.43 -0.47 -0.28 -0.07 -2.23 0.00 0.00 178.31 174.84 2jbk h LEU 62 N -0.56 -0.89 -1.45 0.59 3.38 -1.11 -2.59 115.31 112.68 2jbk h LEU 62 Ca 0.04 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.31 2jbk h LEU 62 Cb 0.62 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 2jbk h LEU 62 CO -0.27 -0.31 0.54 0.44 0.09 0.00 0.00 178.44 178.92 2jbk h ASP 63 N -0.31 0.51 0.63 -0.43 3.32 -0.38 0.51 116.42 120.27 2jbk h ASP 63 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jbk h ASP 63 Cb 0.50 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2jbk h ASP 63 CO -0.39 0.26 0.00 -0.08 -1.72 0.00 0.00 179.24 177.31 2jbk h GLU 64 N 0.54 0.00 -6.24 3.56 4.57 -0.97 -3.43 114.58 112.60 2jbk h GLU 64 Ca 0.41 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 58.03 2jbk h GLU 64 Cb 0.80 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 2jbk h GLU 64 CO -0.16 0.00 0.76 -0.51 -1.18 0.00 0.00 179.01 177.92 2jbk s LEU 65 N -6.01 4.24 -0.19 1.64 1.43 0.18 -4.89 118.68 115.07 2jbk s LEU 65 Ca -0.01 1.72 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 2jbk s LEU 65 Cb 0.10 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.78 2jbk s LEU 65 CO 0.48 -0.63 -0.14 -0.54 0.23 0.00 0.00 176.35 175.75 2jbk s LYS 66 N 2.64 3.14 0.25 1.70 -0.14 -1.26 -5.03 119.74 121.04 2jbk s LYS 66 Ca 0.54 -0.75 -0.10 0.00 -1.36 0.00 0.00 55.97 54.30 2jbk s LYS 66 Cb -0.23 -2.73 0.37 0.00 -1.68 0.00 0.00 37.83 33.56 2jbk s LYS 66 CO 0.18 -0.20 1.59 0.00 -0.76 0.00 0.00 175.35 176.17 2jbk h ALA 67 N 7.98 0.57 -0.88 5.17 0.00 -1.96 -0.20 119.26 129.94 2jbk h ALA 67 Ca -0.44 0.33 0.22 0.00 0.00 0.00 0.00 54.91 55.02 2jbk h ALA 67 Cb 1.15 0.64 -0.16 0.00 0.00 0.00 0.00 17.79 19.42 2jbk h ALA 67 CO 0.62 -0.40 0.02 1.49 0.00 0.00 0.00 179.25 180.98 2jbk h GLU 68 N 0.00 0.06 -0.25 0.00 4.22 -1.91 -1.04 114.58 115.66 2jbk h GLU 68 Ca 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.82 2jbk h GLU 68 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jbk h GLU 68 CO -0.87 0.04 0.08 -0.91 -2.18 0.00 0.00 179.01 175.18 2jbk h ASN 69 N 0.07 0.36 -0.27 1.04 2.35 -1.47 -0.60 115.58 117.06 2jbk h ASN 69 Ca 0.51 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 56.12 2jbk h ASN 69 Cb 0.97 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.16 2jbk h ASN 69 CO -0.80 0.47 -0.31 0.40 -1.65 0.00 0.00 177.43 175.54 2jbk h ILE 70 N 0.24 0.28 -0.20 2.81 2.04 -0.92 0.23 117.51 122.00 2jbk h ILE 70 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2jbk h ILE 70 Cb 0.23 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 2jbk h ILE 70 CO -0.00 0.00 -0.34 0.50 0.00 0.00 0.00 178.15 178.30 2jbk h LYS 71 N -0.30 -0.37 -0.88 2.37 3.64 -0.92 0.20 116.57 120.31 2jbk h LYS 71 Ca 0.14 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2jbk h LYS 71 Cb 0.52 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.32 2jbk h LYS 71 CO -0.44 -0.24 -0.51 1.17 -2.27 0.00 0.00 179.45 177.16 2jbk n LYS 72 N -5.42 -0.37 -0.08 1.90 3.00 -0.26 -0.38 118.16 116.55 2jbk n LYS 72 Ca -0.02 1.32 -0.11 0.00 -0.00 0.00 0.00 58.31 59.50 2jbk n LYS 72 Cb 0.34 -1.95 -0.04 0.00 0.00 0.00 0.00 35.03 33.38 2jbk n LYS 72 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2jbk h PHE 73 N 0.00 0.45 -0.61 5.64 0.04 0.11 -0.65 116.94 121.92 2jbk h PHE 73 Ca 0.15 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 2jbk h PHE 73 Cb 0.37 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 2jbk h PHE 73 CO -0.89 0.56 0.38 1.25 -0.60 0.00 0.00 178.31 179.01 2jbk h LEU 74 N 0.20 0.72 -0.16 1.54 5.85 -0.39 0.20 115.31 123.28 2jbk h LEU 74 Ca 0.07 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2jbk h LEU 74 Cb 0.38 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2jbk h LEU 74 CO 0.01 0.56 -0.07 0.22 -0.34 0.00 0.00 178.44 178.81 2jbk h TYR 75 N 0.83 -0.17 -0.03 1.25 3.20 -0.58 -2.40 116.97 119.08 2jbk h TYR 75 Ca 0.22 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2jbk h TYR 75 Cb -0.04 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 2jbk h TYR 75 CO -0.02 -0.12 -0.02 -0.97 -1.64 0.00 0.00 178.16 175.39 2jbk h ASN 76 N -0.06 0.03 0.56 -2.11 -0.73 0.01 -3.17 115.58 110.11 2jbk h ASN 76 Ca 0.09 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 2jbk h ASN 76 Cb 0.18 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.77 2jbk h ASN 76 CO -0.19 0.06 -0.25 0.49 -0.37 0.00 0.00 177.43 177.17 2jbk n PHE 77 N -4.49 0.00 -1.95 0.67 3.72 -0.05 -4.01 117.46 111.35 2jbk n PHE 77 Ca -0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 2jbk n PHE 77 Cb 0.12 -0.28 0.08 0.00 -0.94 0.00 0.00 39.48 38.46 2jbk n PHE 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jbk n THR 78 N -1.26 0.79 0.09 4.37 -2.24 -1.17 -4.76 114.28 110.10 2jbk n THR 78 Ca 0.09 -1.45 -0.04 0.00 -2.27 0.00 0.00 64.05 60.38 2jbk n THR 78 Cb 0.32 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2jbk n THR 78 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jbk h GLN 79 N 0.59 0.00 -5.23 -0.78 1.08 -1.70 -3.42 115.11 105.65 2jbk h GLN 79 Ca -0.08 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.71 2jbk h GLN 79 Cb 1.43 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.72 2jbk h GLN 79 CO 0.04 0.82 -0.67 0.96 -0.95 0.00 0.00 178.83 179.02 2jbk s ILE 80 N -2.83 1.26 0.65 2.54 -4.36 -1.26 -5.01 121.20 112.19 2jbk s ILE 80 Ca 0.02 -2.07 -0.14 0.00 -0.26 0.00 0.00 60.65 58.20 2jbk s ILE 80 Cb 0.09 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.50 2jbk s ILE 80 CO 0.79 -0.39 1.07 -2.84 0.24 0.00 0.00 174.94 173.81 2jbk s PRO 81 N -3.80 3.02 -0.27 0.37 0.02 -1.26 -4.66 135.00 128.42 2jbk s PRO 81 Ca 0.27 1.18 0.22 0.00 0.02 0.00 0.00 61.00 62.69 2jbk s PRO 81 Cb 0.04 -1.99 0.50 0.00 0.02 0.00 0.00 34.50 33.07 2jbk s PRO 81 CO 0.08 -1.05 1.11 0.72 -0.33 0.00 0.00 177.00 177.54 2jbk n HIS 82 N -2.51 1.07 -1.74 6.54 8.25 -1.01 -4.80 115.22 121.03 2jbk n HIS 82 Ca 0.09 -2.19 -0.42 0.00 -0.26 0.00 0.00 57.72 54.94 2jbk n HIS 82 Cb 0.53 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 2jbk n HIS 82 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2jbk n LEU 83 N -0.58 4.14 -4.67 2.41 7.94 -1.20 -1.75 117.00 123.29 2jbk n LEU 83 Ca 0.06 1.22 -0.45 0.00 -1.11 0.00 0.00 56.01 55.73 2jbk n LEU 83 Cb 0.81 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 2jbk n LEU 83 CO 0.08 -0.17 1.05 0.00 -1.11 0.00 0.00 177.39 177.23 2jbk n ALA 84 N 0.39 1.21 -0.40 1.96 0.00 -1.26 -2.56 120.51 119.85 2jbk n ALA 84 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2jbk n ALA 84 Cb 0.37 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2jbk n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbk n GLY 85 N 2.30 0.73 3.88 0.00 0.00 -1.26 -5.05 105.19 105.80 2jbk n GLY 85 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2jbk n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jbk s THR 86 N -2.56 3.71 0.37 2.61 -4.23 -1.06 -4.88 115.64 109.61 2jbk s THR 86 Ca 0.00 -1.29 0.18 0.00 -1.18 0.00 0.00 61.69 59.40 2jbk s THR 86 Cb 0.00 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.75 2jbk s THR 86 CO 0.00 -0.18 1.91 -0.08 -0.54 0.00 0.00 174.62 175.73 2jbk h GLU 87 N 1.18 0.00 -0.51 3.99 4.22 -1.97 -2.26 114.58 119.23 2jbk h GLU 87 Ca -0.45 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.97 2jbk h GLU 87 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2jbk h GLU 87 CO 0.57 0.27 0.23 1.96 -2.18 0.00 0.00 179.01 179.87 2jbk h GLN 88 N 0.00 0.72 0.17 1.92 7.50 -1.91 0.19 115.11 123.69 2jbk h GLN 88 Ca -0.00 -0.09 -0.28 0.00 0.50 0.00 0.00 58.65 58.78 2jbk h GLN 88 Cb 0.55 -0.14 0.02 0.00 0.05 0.00 0.00 27.48 27.96 2jbk h GLN 88 CO 0.04 0.57 -1.34 -0.97 -1.50 0.00 0.00 178.83 175.62 2jbk h ASN 89 N 0.72 0.56 -0.82 1.46 -1.24 -1.67 -1.65 115.58 112.94 2jbk h ASN 89 Ca 0.18 -0.91 0.15 0.00 0.71 0.00 0.00 56.30 56.42 2jbk h ASN 89 Cb 0.09 -0.18 -0.10 0.00 0.73 0.00 0.00 38.32 38.86 2jbk h ASN 89 CO -0.02 1.62 0.39 0.15 -1.29 0.00 0.00 177.43 178.27 2jbk h PHE 90 N -0.14 0.67 -0.62 0.67 3.57 -1.09 -1.69 116.94 118.32 2jbk h PHE 90 Ca -0.26 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 2jbk h PHE 90 Cb 1.89 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.44 2jbk h PHE 90 CO 0.14 0.13 0.03 1.96 -2.23 0.00 0.00 178.31 178.34 2jbk h GLN 91 N 0.55 1.07 -0.17 1.11 4.20 -0.48 -1.07 115.11 120.32 2jbk h GLN 91 Ca 0.45 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2jbk h GLN 91 Cb 0.66 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2jbk h GLN 91 CO -0.38 1.03 0.08 1.25 -0.67 0.00 0.00 178.83 180.14 2jbk h LEU 92 N 0.98 0.22 -0.58 1.46 5.85 -0.96 -1.37 115.31 120.91 2jbk h LEU 92 Ca 0.18 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.89 2jbk h LEU 92 Cb 0.53 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 2jbk h LEU 92 CO 0.03 0.27 -0.30 0.00 -0.34 0.00 0.00 178.44 178.09 2jbk h ALA 93 N 0.95 0.03 -1.00 1.25 0.00 -1.20 0.12 119.26 119.41 2jbk h ALA 93 Ca 0.06 0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2jbk h ALA 93 Cb 0.11 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 2jbk h ALA 93 CO -0.01 -0.64 0.61 0.87 0.00 0.00 0.00 179.25 180.09 2jbk h LYS 94 N -0.14 0.70 0.40 0.00 1.79 -0.83 -1.95 116.57 116.53 2jbk h LYS 94 Ca 0.24 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2jbk h LYS 94 Cb 0.54 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jbk h LYS 94 CO -0.66 0.46 -0.19 0.37 -1.08 0.00 0.00 179.45 178.35 2jbk h GLN 95 N 0.72 -0.52 -0.85 3.15 4.15 0.05 -3.11 115.11 118.70 2jbk h GLN 95 Ca 0.57 0.04 0.11 0.00 0.77 0.00 0.00 58.65 60.13 2jbk h GLN 95 Cb 0.95 0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.67 2jbk h GLN 95 CO -0.36 -0.21 0.49 0.82 -1.93 0.00 0.00 178.83 177.64 2jbk h ILE 96 N -0.88 0.87 -0.54 2.39 1.08 -0.73 0.20 117.51 119.90 2jbk h ILE 96 Ca -0.06 -0.27 0.10 0.00 -0.39 0.00 0.00 64.86 64.25 2jbk h ILE 96 Cb 0.55 0.02 -0.11 0.00 -3.07 0.00 0.00 36.82 34.21 2jbk h ILE 96 CO 0.09 0.14 -0.27 -0.61 -0.69 0.00 0.00 178.15 176.82 2jbk h GLN 97 N 0.79 -0.13 -0.38 2.37 4.15 -1.38 -0.72 115.11 119.80 2jbk h GLN 97 Ca 0.42 0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.71 2jbk h GLN 97 Cb 0.44 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2jbk h GLN 97 CO -0.27 -0.09 -0.33 0.77 -1.93 0.00 0.00 178.83 176.98 2jbk h SER 98 N -0.14 0.95 1.16 -0.69 0.02 -0.91 -1.43 113.55 112.51 2jbk h SER 98 Ca 0.24 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2jbk h SER 98 Cb 0.51 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2jbk h SER 98 CO -0.62 1.20 -0.38 1.56 -1.14 0.00 0.00 176.83 177.46 2jbk h GLN 99 N 0.70 0.00 -0.16 3.45 4.20 -1.24 0.35 115.11 122.42 2jbk h GLN 99 Ca 0.07 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2jbk h GLN 99 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2jbk h GLN 99 CO 0.08 0.38 -0.35 -1.49 -0.67 0.00 0.00 178.83 176.78 2jbk h TRP 100 N 0.00 0.66 0.38 2.96 4.06 -0.99 0.86 115.95 123.87 2jbk h TRP 100 Ca -0.00 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.69 2jbk h TRP 100 Cb 1.06 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2jbk h TRP 100 CO 0.00 0.98 -0.43 0.87 -3.56 0.00 0.00 178.44 176.30 2jbk h LYS 101 N 0.15 -0.79 -0.85 0.49 1.57 -0.72 -2.59 116.57 113.83 2jbk h LYS 101 Ca 0.00 0.05 0.22 0.00 -1.87 0.00 0.00 60.65 59.05 2jbk h LYS 101 Cb 0.96 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 2jbk h LYS 101 CO 0.08 -0.52 0.10 0.93 -0.57 0.00 0.00 179.45 179.46 2jbk h GLU 102 N -0.82 0.12 0.00 3.15 3.07 -0.25 0.27 114.58 120.13 2jbk h GLU 102 Ca -0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2jbk h GLU 102 Cb 0.72 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2jbk h GLU 102 CO -0.08 0.08 0.00 1.19 -1.40 0.00 0.00 179.01 178.80 2jbk n PHE 103 N -5.33 0.00 -0.07 4.33 3.72 0.30 -4.81 117.46 115.59 2jbk n PHE 103 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2jbk n PHE 103 Cb 0.62 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2jbk n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jbk n GLY 104 N -0.39 0.96 3.73 1.37 0.00 0.94 -3.91 105.19 107.88 2jbk n GLY 104 Ca 0.06 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2jbk n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbk s LEU 105 N 0.00 3.51 0.06 0.99 1.43 -1.12 -4.86 118.68 118.68 2jbk s LEU 105 Ca 0.00 2.53 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 2jbk s LEU 105 Cb 0.00 -4.61 -0.17 0.00 0.03 0.00 0.00 46.19 41.44 2jbk s LEU 105 CO 0.00 -2.06 1.26 0.44 0.23 0.00 0.00 176.35 176.22 2jbk h ASP 106 N 0.32 0.69 -3.72 2.29 3.32 -1.73 -3.45 116.42 114.14 2jbk h ASP 106 Ca -0.50 -0.62 -0.20 0.00 0.02 0.00 0.00 57.03 55.72 2jbk h ASP 106 Cb 1.32 -0.20 -0.28 0.00 0.22 0.00 0.00 39.33 40.39 2jbk h ASP 106 CO 0.52 1.20 -0.57 -0.94 -1.72 0.00 0.00 179.24 177.73 2jbk s SER 107 N -6.74 -0.13 -0.26 6.45 1.04 -1.17 -5.01 113.70 107.88 2jbk s SER 107 Ca -0.12 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.59 2jbk s SER 107 Cb 0.06 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.51 2jbk s SER 107 CO 0.84 -0.06 -0.01 -0.69 0.98 0.00 0.00 173.24 174.30 2jbk s VAL 108 N 0.25 1.57 0.05 5.02 1.01 -1.26 0.05 120.40 127.08 2jbk s VAL 108 Ca -0.01 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 2jbk s VAL 108 Cb -0.03 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2jbk s VAL 108 CO -0.01 -0.27 0.29 -1.61 0.00 0.00 0.00 175.10 173.50 2jbk s GLU 109 N 1.34 3.57 0.05 2.72 0.41 0.28 -4.90 118.70 122.16 2jbk s GLU 109 Ca -0.01 -0.13 -0.19 0.00 -0.41 0.00 0.00 54.97 54.23 2jbk s GLU 109 Cb -0.19 -3.02 -0.06 0.00 -1.78 0.00 0.00 34.13 29.08 2jbk s GLU 109 CO -0.09 0.60 0.56 -0.51 -0.49 0.00 0.00 175.26 175.33 2jbk s LEU 110 N -2.07 4.49 -0.10 1.80 1.43 -1.26 0.16 118.68 123.14 2jbk s LEU 110 Ca 0.32 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 2jbk s LEU 110 Cb -0.13 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.23 2jbk s LEU 110 CO 0.20 0.23 -0.15 0.00 0.23 0.00 0.00 176.35 176.86 2jbk s ALA 111 N -0.84 1.61 0.19 4.21 0.00 -0.25 -4.96 121.76 121.72 2jbk s ALA 111 Ca 0.29 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.68 2jbk s ALA 111 Cb -0.19 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2jbk s ALA 111 CO 0.18 -0.04 -0.19 -3.38 0.00 0.00 0.00 175.76 172.33 2jbk s HIS 112 N 0.92 2.41 0.06 0.00 -3.43 -1.26 0.21 115.29 114.21 2jbk s HIS 112 Ca -0.08 -0.31 -0.06 0.00 -0.80 0.00 0.00 55.06 53.81 2jbk s HIS 112 Cb -0.15 -1.19 -0.01 0.00 -1.43 0.00 0.00 32.58 29.80 2jbk s HIS 112 CO -0.00 0.51 0.10 0.71 -2.00 0.00 0.00 174.74 174.06 2jbk s TYR 113 N -1.70 0.25 -0.34 0.38 2.02 -0.77 -4.87 117.35 112.34 2jbk s TYR 113 Ca 0.22 -0.66 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2jbk s TYR 113 Cb -0.08 -0.17 0.10 0.00 -0.40 0.00 0.00 41.96 41.41 2jbk s TYR 113 CO 0.12 -0.43 0.05 -0.51 -1.57 0.00 0.00 175.55 173.20 2jbk s ASP 114 N -2.57 4.71 0.31 2.29 1.01 -0.52 -1.14 116.67 120.75 2jbk s ASP 114 Ca 0.01 -2.10 0.09 0.00 0.71 0.00 0.00 52.55 51.27 2jbk s ASP 114 Cb 0.03 -1.58 -0.06 0.00 1.01 0.00 0.00 42.92 42.32 2jbk s ASP 114 CO -0.08 -0.38 -0.11 0.68 0.21 0.00 0.00 175.17 175.49 2jbk s VAL 115 N 0.95 2.14 -0.35 -1.27 -7.23 -0.58 -4.81 120.40 109.25 2jbk s VAL 115 Ca 0.10 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.75 2jbk s VAL 115 Cb -0.19 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.26 2jbk s VAL 115 CO -0.09 -0.29 1.32 -0.22 -0.31 0.00 0.00 175.10 175.51 2jbk s LEU 116 N -3.53 3.76 0.00 1.32 2.96 -1.26 -0.01 118.68 121.92 2jbk s LEU 116 Ca 0.31 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2jbk s LEU 116 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2jbk s LEU 116 CO 0.15 -1.21 0.00 0.18 -1.32 0.00 0.00 176.35 174.14 2jbk n LEU 117 N 8.04 0.00 -3.63 -0.68 4.77 -1.09 -4.88 117.00 119.53 2jbk n LEU 117 Ca 0.15 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2jbk n LEU 117 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2jbk n LEU 117 CO 0.66 -0.25 0.48 -0.55 -1.33 0.00 0.00 177.39 176.40 2jbk s SER 118 N -0.87 -0.78 0.12 -1.43 0.15 -1.26 -1.35 113.70 108.28 2jbk s SER 118 Ca 0.00 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.87 2jbk s SER 118 Cb 0.00 1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 65.66 2jbk s SER 118 CO 0.00 -0.19 0.03 -0.31 1.20 0.00 0.00 173.24 173.97 2jbk s TYR 119 N 1.64 0.85 0.11 3.44 2.02 -0.22 -4.74 117.35 120.45 2jbk s TYR 119 Ca -0.09 -1.16 -0.24 0.00 -0.37 0.00 0.00 57.07 55.21 2jbk s TYR 119 Cb -0.05 -0.50 -0.07 0.00 -0.40 0.00 0.00 41.96 40.95 2jbk s TYR 119 CO -0.18 -0.44 0.72 -1.25 -1.57 0.00 0.00 175.55 172.83 2jbk s PRO 120 N -4.00 4.46 -0.41 -1.71 0.05 -1.26 -1.28 135.00 130.85 2jbk s PRO 120 Ca 0.20 1.02 -0.27 0.00 0.05 0.00 0.00 61.00 62.01 2jbk s PRO 120 Cb 0.07 -3.28 -0.05 0.00 0.05 0.00 0.00 34.50 31.29 2jbk s PRO 120 CO -0.00 0.52 2.23 1.21 0.05 0.00 0.00 177.00 181.00 2jbk s ASN 121 N -0.86 4.97 0.17 6.66 3.84 -1.24 -4.88 114.94 123.60 2jbk s ASN 121 Ca 0.35 1.25 -0.25 0.00 0.21 0.00 0.00 52.86 54.42 2jbk s ASN 121 Cb -0.22 -2.51 0.04 0.00 -0.55 0.00 0.00 41.25 38.01 2jbk s ASN 121 CO 0.23 -2.44 1.57 0.11 -2.79 0.00 0.00 177.10 173.79 2jbk h LYS 122 N 17.05 -0.25 0.00 0.43 6.56 -1.94 0.35 116.57 138.77 2jbk h LYS 122 Ca -0.30 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2jbk h LYS 122 Cb 1.24 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2jbk h LYS 122 CO 1.10 -0.16 0.00 0.25 -2.06 0.00 0.00 179.45 178.57 2jbk n THR 123 N -5.41 0.00 -2.89 -0.16 -2.24 -1.26 -4.34 114.28 97.98 2jbk n THR 123 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 2jbk n THR 123 Cb 0.35 -0.49 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 2jbk n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jbk n HIS 124 N -0.79 -2.26 -0.71 4.78 -0.00 0.10 -5.15 115.22 111.19 2jbk n HIS 124 Ca 0.09 -2.42 -0.25 0.00 -0.00 0.00 0.00 57.72 55.13 2jbk n HIS 124 Cb 0.04 0.96 -0.02 0.00 -0.00 0.00 0.00 29.99 30.97 2jbk n HIS 124 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2jbk n PRO 125 N 1.25 0.00 -3.27 1.57 -0.02 -1.18 -4.64 135.00 128.71 2jbk n PRO 125 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 2jbk n PRO 125 Cb 0.62 -0.53 -0.06 0.00 -0.02 0.00 0.00 33.50 33.51 2jbk n PRO 125 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2jbk s ASN 126 N -0.43 7.04 0.16 2.55 0.01 -1.26 -4.85 114.94 118.17 2jbk s ASN 126 Ca 0.34 1.24 -0.24 0.00 -0.71 0.00 0.00 52.86 53.48 2jbk s ASN 126 Cb -0.49 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 38.87 2jbk s ASN 126 CO 0.28 0.24 0.87 -0.72 -1.51 0.00 0.00 177.10 176.26 2jbk s TYR 127 N -0.93 -0.20 -0.08 2.20 -0.85 -0.98 -4.93 117.35 111.57 2jbk s TYR 127 Ca 0.29 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.74 2jbk s TYR 127 Cb -0.19 0.64 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 2jbk s TYR 127 CO 0.19 -0.89 -0.11 0.42 -1.52 0.00 0.00 175.55 173.63 2jbk s ILE 128 N -3.45 3.31 0.16 -3.49 1.01 -1.26 -0.80 121.20 116.68 2jbk s ILE 128 Ca 0.10 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.24 2jbk s ILE 128 Cb -0.02 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2jbk s ILE 128 CO 0.01 0.57 -0.17 -0.44 0.00 0.00 0.00 174.94 174.91 2jbk s SER 129 N -0.42 3.84 0.03 3.58 0.01 -0.81 -1.20 113.70 118.73 2jbk s SER 129 Ca 0.05 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 2jbk s SER 129 Cb -0.12 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2jbk s SER 129 CO 0.02 0.13 0.24 -0.63 0.41 0.00 0.00 173.24 173.41 2jbk s ILE 130 N -1.50 5.35 -0.09 1.44 1.01 -0.33 -2.11 121.20 124.97 2jbk s ILE 130 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.81 2jbk s ILE 130 Cb -0.09 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2jbk s ILE 130 CO 0.12 0.28 -0.08 0.27 0.00 0.00 0.00 174.94 175.52 2jbk s ILE 131 N -1.38 0.98 1.32 2.92 -4.36 0.10 -1.16 121.20 119.62 2jbk s ILE 131 Ca 0.30 -0.31 -0.21 0.00 -0.26 0.00 0.00 60.65 60.16 2jbk s ILE 131 Cb -0.13 -0.96 0.33 0.00 1.25 0.00 0.00 42.46 42.95 2jbk s ILE 131 CO 0.20 0.34 1.02 0.54 0.24 0.00 0.00 174.94 177.28 2jbk s ASN 132 N 1.27 -0.16 0.16 4.36 2.20 -0.76 -1.74 114.94 120.28 2jbk s ASN 132 Ca -0.04 0.73 -0.02 0.00 -0.94 0.00 0.00 52.86 52.59 2jbk s ASN 132 Cb -0.14 -1.02 0.31 0.00 -2.00 0.00 0.00 41.25 38.41 2jbk s ASN 132 CO -0.03 -4.80 0.84 1.21 -2.94 0.00 0.00 177.10 171.38 2jbk n GLU 133 N -5.23 -0.05 -2.44 3.55 0.00 -1.26 -1.57 120.64 113.64 2jbk n GLU 133 Ca 0.13 0.82 -0.30 0.00 0.00 0.00 0.00 57.16 57.81 2jbk n GLU 133 Cb 0.60 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.78 2jbk n GLU 133 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jbk n ASP 134 N -4.78 5.36 -3.53 4.31 4.64 -1.26 -4.95 116.55 116.33 2jbk n ASP 134 Ca 0.10 -3.74 -0.23 0.00 -1.38 0.00 0.00 54.79 49.54 2jbk n ASP 134 Cb 0.33 -0.63 -0.06 0.00 -1.04 0.00 0.00 41.12 39.72 2jbk n ASP 134 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2jbk n GLY 135 N -0.44 -0.16 3.71 0.27 0.00 -0.61 -4.90 105.19 103.06 2jbk n GLY 135 Ca 0.41 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 2jbk n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jbk s ASN 136 N -3.17 6.60 -0.91 1.61 0.01 -1.26 -4.86 114.94 112.95 2jbk s ASN 136 Ca 0.25 2.56 -0.24 0.00 -0.71 0.00 0.00 52.86 54.72 2jbk s ASN 136 Cb -0.15 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.96 2jbk s ASN 136 CO 0.64 -0.85 1.49 -1.61 -1.51 0.00 0.00 177.10 175.26 2jbk s GLU 137 N 1.74 3.31 0.03 -0.60 2.02 -1.26 -1.82 118.70 122.12 2jbk s GLU 137 Ca 0.71 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.74 2jbk s GLU 137 Cb -0.42 -4.96 -0.17 0.00 0.10 0.00 0.00 34.13 28.68 2jbk s GLU 137 CO 0.32 -2.36 1.32 0.82 0.02 0.00 0.00 175.26 175.38 2jbk h ILE 138 N 6.66 0.57 -4.43 -1.63 2.04 -1.51 -3.45 117.51 115.76 2jbk h ILE 138 Ca 0.04 -0.42 -0.67 0.00 1.00 0.00 0.00 64.86 64.81 2jbk h ILE 138 Cb 1.03 0.77 -0.30 0.00 -0.74 0.00 0.00 36.82 37.57 2jbk h ILE 138 CO 1.35 0.07 -0.88 0.12 0.00 0.00 0.00 178.15 178.82 2jbk s PHE 139 N -5.01 2.22 0.22 1.37 5.36 -1.24 -4.96 117.98 115.94 2jbk s PHE 139 Ca -0.15 -0.48 0.08 0.00 -0.96 0.00 0.00 56.93 55.43 2jbk s PHE 139 Cb 0.03 -1.44 -0.05 0.00 -0.34 0.00 0.00 43.02 41.22 2jbk s PHE 139 CO 0.55 -0.08 -0.14 -0.80 -1.46 0.00 0.00 175.22 173.29 2jbk s ASN 140 N -0.47 2.73 0.48 6.13 0.01 -1.26 -1.19 114.94 121.36 2jbk s ASN 140 Ca 0.06 -1.04 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 2jbk s ASN 140 Cb -0.10 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.41 2jbk s ASN 140 CO 0.00 -0.16 0.69 0.42 -1.51 0.00 0.00 177.10 176.54 2jbk s THR 141 N -2.91 3.47 1.06 1.60 -4.23 -0.34 -4.99 115.64 109.29 2jbk s THR 141 Ca 0.24 -0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 2jbk s THR 141 Cb -0.01 -3.28 0.09 0.00 1.34 0.00 0.00 72.50 70.65 2jbk s THR 141 CO 0.08 -0.18 0.23 -1.20 -0.54 0.00 0.00 174.62 173.01 2jbk n SER 142 N -2.13 -2.18 -0.11 3.99 7.64 -1.26 -4.82 113.62 114.75 2jbk n SER 142 Ca 0.04 0.04 0.02 0.00 1.01 0.00 0.00 58.87 59.98 2jbk n SER 142 Cb 0.58 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2jbk n SER 142 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jbk n LEU 143 N -1.81 0.94 -3.62 -3.43 4.77 -1.26 -4.92 117.00 107.66 2jbk n LEU 143 Ca 0.03 -0.81 -0.07 0.00 -0.03 0.00 0.00 56.01 55.13 2jbk n LEU 143 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2jbk n LEU 143 CO 0.52 0.20 0.63 0.72 -1.33 0.00 0.00 177.39 178.14 2jbk s PHE 144 N -0.75 -0.28 0.13 -1.77 -0.71 -1.26 -4.70 117.98 108.64 2jbk s PHE 144 Ca 0.04 0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.72 2jbk s PHE 144 Cb 0.04 0.60 -0.07 0.00 -1.21 0.00 0.00 43.02 42.37 2jbk s PHE 144 CO 0.10 -0.77 0.75 -1.21 -1.34 0.00 0.00 175.22 172.75 2jbk s GLU 145 N -3.36 4.51 -0.36 1.99 2.02 -1.26 -4.99 118.70 117.24 2jbk s GLU 145 Ca 0.08 1.09 -0.40 0.00 0.02 0.00 0.00 54.97 55.76 2jbk s GLU 145 Cb -0.02 -3.28 -0.15 0.00 0.10 0.00 0.00 34.13 30.78 2jbk s GLU 145 CO -0.04 0.51 1.97 -0.35 0.02 0.00 0.00 175.26 177.37 2jbk n PRO 146 N 1.90 0.82 -1.87 0.39 -0.04 -1.26 -4.90 135.00 130.04 2jbk n PRO 146 Ca -0.05 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 2jbk n PRO 146 Cb 0.49 -2.06 0.03 0.00 -0.04 0.00 0.00 33.50 31.92 2jbk n PRO 146 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2jbk s PRO 147 N 4.93 3.24 0.74 0.54 0.02 -1.26 -4.96 135.00 138.25 2jbk s PRO 147 Ca 1.07 2.14 -0.15 0.00 0.02 0.00 0.00 61.00 64.08 2jbk s PRO 147 Cb -1.12 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 31.18 2jbk s PRO 147 CO 0.61 -1.08 1.25 -1.25 -0.33 0.00 0.00 177.00 176.20 2jbk s PRO 148 N -2.89 2.00 -0.40 5.54 0.04 -1.26 -4.86 135.00 133.17 2jbk s PRO 148 Ca 0.70 1.90 -0.40 0.00 0.04 0.00 0.00 61.00 63.24 2jbk s PRO 148 Cb -0.38 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.19 2jbk s PRO 148 CO 0.45 -1.98 1.34 -2.30 0.04 0.00 0.00 177.00 174.56 2jbk n PRO 149 N -2.73 0.00 -0.04 0.56 -0.02 -1.26 -2.93 135.00 128.57 2jbk n PRO 149 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2jbk n PRO 149 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2jbk n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jbk n GLY 150 N 3.29 0.97 2.51 -1.23 0.00 -1.26 -4.98 105.19 104.50 2jbk n GLY 150 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jbk n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jbk n TYR 151 N -2.04 0.49 0.29 1.61 4.01 -1.15 -4.78 117.16 115.59 2jbk n TYR 151 Ca 0.00 -1.73 -0.18 0.00 -0.16 0.00 0.00 57.90 55.82 2jbk n TYR 151 Cb 0.00 0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.01 2jbk n TYR 151 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2jbk h GLU 152 N 1.99 -0.98 0.00 -0.72 4.39 -1.93 -2.99 114.58 114.34 2jbk h GLU 152 Ca -0.22 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2jbk h GLU 152 Cb 1.39 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2jbk h GLU 152 CO 0.09 -0.66 0.00 -1.71 -1.16 0.00 0.00 179.01 175.58 2jbk n ASN 153 N -5.57 0.00 0.00 1.42 2.85 -1.26 -4.38 115.26 108.32 2jbk n ASN 153 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2jbk n ASN 153 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2jbk n ASN 153 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2jbk n VAL 154 N -0.00 0.00 -0.02 3.44 0.24 -1.13 -4.69 118.33 116.16 2jbk n VAL 154 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2jbk n VAL 154 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 2jbk n VAL 154 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2jbk h SER 155 N 0.00 0.25 -1.25 -1.34 0.87 -1.88 -3.40 113.55 106.80 2jbk h SER 155 Ca 0.00 -0.78 -0.02 0.00 -1.23 0.00 0.00 61.79 59.76 2jbk h SER 155 Cb 0.00 -0.08 -0.24 0.00 -0.44 0.00 0.00 62.40 61.65 2jbk h SER 155 CO 0.00 1.00 -0.40 -1.81 -0.53 0.00 0.00 176.83 175.09 2jbk s ASP 156 N -6.36 -0.92 -0.20 6.23 -0.00 -1.26 -5.11 116.67 109.05 2jbk s ASP 156 Ca -0.16 0.23 -0.29 0.00 -0.00 0.00 0.00 52.55 52.33 2jbk s ASP 156 Cb 0.01 1.76 0.00 0.00 -0.00 0.00 0.00 42.92 44.70 2jbk s ASP 156 CO 0.75 -0.30 1.02 -0.63 -0.00 0.00 0.00 175.17 176.01 2jbk s ILE 157 N 2.74 4.71 0.27 0.77 1.01 -1.26 -4.91 121.20 124.53 2jbk s ILE 157 Ca 0.13 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 2jbk s ILE 157 Cb -0.12 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 2jbk s ILE 157 CO -0.25 -0.13 1.44 0.55 0.00 0.00 0.00 174.94 176.56 2jbk n VAL 158 N 5.11 1.15 -1.47 2.92 3.14 -1.26 -5.00 118.33 122.92 2jbk n VAL 158 Ca 0.11 -0.29 -0.34 0.00 -2.96 0.00 0.00 64.34 60.86 2jbk n VAL 158 Cb 0.47 -1.62 0.09 0.00 -1.06 0.00 0.00 33.84 31.71 2jbk n VAL 158 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jbk s PRO 159 N -0.68 2.24 0.58 1.45 0.04 -1.26 -4.98 135.00 132.38 2jbk s PRO 159 Ca 0.65 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.17 2jbk s PRO 159 Cb -0.60 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 2jbk s PRO 159 CO 0.51 -1.74 0.43 -2.30 0.04 0.00 0.00 177.00 173.94 2jbk n PRO 160 N -2.73 0.42 -3.63 0.56 -0.02 -1.26 -4.98 135.00 123.36 2jbk n PRO 160 Ca 0.13 0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.74 2jbk n PRO 160 Cb 0.51 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 2jbk n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2jbk s PHE 161 N -1.77 -0.06 -0.34 6.00 -0.12 -1.26 -4.96 117.98 115.46 2jbk s PHE 161 Ca 0.67 0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 57.40 2jbk s PHE 161 Cb -0.44 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.45 2jbk s PHE 161 CO 0.56 -0.09 0.59 -1.12 -0.05 0.00 0.00 175.22 175.11 2jbk s SER 162 N -1.89 6.40 0.59 1.98 0.01 -1.26 -3.77 113.70 115.75 2jbk s SER 162 Ca 0.10 0.14 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 2jbk s SER 162 Cb -0.01 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2jbk s SER 162 CO -0.04 -0.52 1.16 0.00 0.41 0.00 0.00 173.24 174.25 2jbk n ALA 163 N 5.89 0.82 -1.39 1.44 0.00 -1.09 -2.68 120.51 123.49 2jbk n ALA 163 Ca -0.03 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 2jbk n ALA 163 Cb 0.49 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 2jbk n ALA 163 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jbk n PHE 164 N -1.56 -0.20 -1.75 0.00 3.72 -1.26 -3.71 117.46 112.70 2jbk n PHE 164 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.12 2jbk n PHE 164 Cb 0.46 -2.79 -0.01 0.00 -0.94 0.00 0.00 39.48 36.20 2jbk n PHE 164 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jbk n SER 165 N -0.76 3.70 -4.72 4.37 2.88 -1.09 -4.59 113.62 113.41 2jbk n SER 165 Ca -0.14 1.18 -0.35 0.00 -1.33 0.00 0.00 58.87 58.23 2jbk n SER 165 Cb 0.52 -1.59 0.09 0.00 -0.75 0.00 0.00 64.21 62.48 2jbk n SER 165 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jbk s PRO 166 N -1.26 2.16 0.53 -1.46 0.04 -1.26 -4.80 135.00 128.96 2jbk s PRO 166 Ca 0.59 1.87 -0.21 0.00 0.04 0.00 0.00 61.00 63.28 2jbk s PRO 166 Cb -0.50 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2jbk s PRO 166 CO 0.56 -1.84 1.25 -0.65 0.04 0.00 0.00 177.00 176.36 2jbk s GLN 167 N -3.77 3.29 0.00 4.56 -0.21 -1.26 -4.28 119.66 117.99 2jbk s GLN 167 Ca 0.77 1.97 0.00 0.00 0.02 0.00 0.00 55.36 58.12 2jbk s GLN 167 Cb -0.32 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.48 2jbk s GLN 167 CO 0.44 -0.99 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 2jbk n GLY 168 N 0.58 -0.19 2.60 3.09 0.00 -0.01 -4.87 105.19 106.38 2jbk n GLY 168 Ca 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2jbk n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jbk n MET 169 N -0.26 1.10 -1.77 1.61 2.81 -1.26 -0.17 117.12 119.16 2jbk n MET 169 Ca 0.00 -2.50 -0.31 0.00 -1.81 0.00 0.00 57.70 53.08 2jbk n MET 169 Cb 0.00 -0.91 0.04 0.00 -0.71 0.00 0.00 33.22 31.64 2jbk n MET 169 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2jbk s PRO 170 N -1.10 3.06 0.10 0.03 0.04 -1.26 -4.55 135.00 131.33 2jbk s PRO 170 Ca 0.27 0.69 0.07 0.00 0.04 0.00 0.00 61.00 62.07 2jbk s PRO 170 Cb 0.38 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 2jbk s PRO 170 CO -0.05 -0.94 -0.17 -1.21 0.04 0.00 0.00 177.00 174.67 2jbk s GLU 171 N -5.20 1.02 0.00 4.56 2.02 -1.25 -1.22 118.70 118.63 2jbk s GLU 171 Ca 0.57 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2jbk s GLU 171 Cb -0.12 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 33.01 2jbk s GLU 171 CO 0.54 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.47 2jbk n GLY 172 N 0.95 -0.53 3.20 -1.39 0.00 -0.87 -4.94 105.19 101.61 2jbk n GLY 172 Ca -0.19 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2jbk n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jbk s ASP 173 N -4.00 4.42 0.16 1.61 1.01 -1.26 -1.48 116.67 117.13 2jbk s ASP 173 Ca 0.00 -0.94 -0.31 0.00 0.71 0.00 0.00 52.55 52.01 2jbk s ASP 173 Cb 0.00 -1.67 -0.17 0.00 1.01 0.00 0.00 42.92 42.08 2jbk s ASP 173 CO 0.00 -0.15 0.75 0.18 0.21 0.00 0.00 175.17 176.16 2jbk n LEU 174 N 4.66 -0.39 -4.14 1.23 4.32 -1.26 -3.43 117.00 118.00 2jbk n LEU 174 Ca -0.16 1.14 -0.29 0.00 -0.02 0.00 0.00 56.01 56.68 2jbk n LEU 174 Cb 0.46 -1.01 -0.17 0.00 -1.62 0.00 0.00 43.42 41.09 2jbk n LEU 174 CO 0.27 -2.42 -0.52 -0.69 -1.22 0.00 0.00 177.39 172.80 2jbk s VAL 175 N -0.71 1.71 0.18 4.08 1.01 0.57 -2.93 120.40 124.31 2jbk s VAL 175 Ca 0.70 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 2jbk s VAL 175 Cb -0.97 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2jbk s VAL 175 CO 0.56 0.48 0.54 -0.47 0.00 0.00 0.00 175.10 176.22 2jbk s TYR 176 N 0.55 3.52 0.00 5.22 5.04 0.13 -2.32 117.35 129.49 2jbk s TYR 176 Ca -0.15 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 2jbk s TYR 176 Cb -0.17 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.83 2jbk s TYR 176 CO 0.05 0.36 0.17 1.33 -1.34 0.00 0.00 175.55 176.13 2jbk n VAL 177 N 0.40 0.00 0.00 3.14 0.24 -1.18 -4.69 118.33 116.23 2jbk n VAL 177 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2jbk n VAL 177 Cb 0.52 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 2jbk n VAL 177 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jbk n ASN 178 N 0.00 0.00 -0.06 -1.34 5.15 -1.26 -2.87 115.26 114.88 2jbk n ASN 178 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 2jbk n ASN 178 Cb 0.36 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.77 2jbk n ASN 178 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2jbk n TYR 179 N 7.89 0.00 -2.40 1.20 4.01 -1.26 -0.00 117.16 126.59 2jbk n TYR 179 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2jbk n TYR 179 Cb 0.00 -0.16 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 2jbk n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jbk n ALA 180 N -1.31 -0.55 -1.86 -0.72 0.00 -1.14 -4.60 120.51 110.33 2jbk n ALA 180 Ca 0.06 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 2jbk n ALA 180 Cb 0.34 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 2jbk n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jbk s ARG 181 N -4.94 3.72 0.26 0.00 0.52 -1.26 -4.18 118.95 113.07 2jbk s ARG 181 Ca 0.04 0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 56.01 2jbk s ARG 181 Cb -0.02 -2.10 0.48 0.00 0.52 0.00 0.00 34.95 33.84 2jbk s ARG 181 CO 0.04 -0.46 1.61 1.15 0.02 0.00 0.00 175.30 177.66 2jbk h THR 182 N 0.12 0.25 -0.40 0.02 2.02 -1.94 -2.21 112.91 110.77 2jbk h THR 182 Ca -0.45 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 2jbk h THR 182 Cb 1.19 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2jbk h THR 182 CO 0.62 0.01 -0.21 1.05 0.37 0.00 0.00 175.52 177.36 2jbk h GLU 183 N 0.07 0.86 -0.50 6.66 9.09 -1.98 0.34 114.58 129.12 2jbk h GLU 183 Ca 0.45 -0.38 0.09 0.00 0.05 0.00 0.00 59.36 59.57 2jbk h GLU 183 Cb 0.80 -0.02 -0.10 0.00 -1.65 0.00 0.00 28.75 27.78 2jbk h GLU 183 CO -0.75 1.02 -0.31 -0.44 0.05 0.00 0.00 179.01 178.58 2jbk h ASP 184 N 0.67 -1.06 -0.68 3.06 3.32 -1.74 1.34 116.42 121.33 2jbk h ASP 184 Ca 0.09 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2jbk h ASP 184 Cb 0.78 0.52 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 2jbk h ASP 184 CO 0.06 -0.30 0.41 -0.26 -1.72 0.00 0.00 179.24 177.43 2jbk h PHE 185 N -0.19 0.91 0.32 4.55 -1.00 -0.95 1.06 116.94 121.64 2jbk h PHE 185 Ca 0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2jbk h PHE 185 Cb 0.53 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 2jbk h PHE 185 CO -0.57 0.61 -0.35 0.74 -1.61 0.00 0.00 178.31 177.13 2jbk h PHE 186 N 0.95 -0.95 -0.49 -0.55 0.04 0.15 -0.50 116.94 115.60 2jbk h PHE 186 Ca 0.25 0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.13 2jbk h PHE 186 Cb -0.03 0.37 -0.10 0.00 2.20 0.00 0.00 35.95 38.40 2jbk h PHE 186 CO 0.00 -0.49 -0.16 -0.22 -0.60 0.00 0.00 178.31 176.85 2jbk h LYS 187 N -0.71 -0.04 -0.28 1.51 1.63 0.28 0.83 116.57 119.80 2jbk h LYS 187 Ca -0.02 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2jbk h LYS 187 Cb 0.65 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2jbk h LYS 187 CO -0.08 -0.03 0.17 1.25 -3.45 0.00 0.00 179.45 177.31 2jbk h LEU 188 N -0.05 0.29 0.00 5.20 5.85 0.14 -2.19 115.31 124.55 2jbk h LEU 188 Ca 0.24 -0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.68 2jbk h LEU 188 Cb 0.41 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2jbk h LEU 188 CO -0.53 0.21 -2.28 -0.62 -0.34 0.00 0.00 178.44 174.88 2jbk n GLU 189 N -4.92 0.71 0.01 1.25 4.71 -0.22 0.01 120.64 122.19 2jbk n GLU 189 Ca -0.02 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.16 56.99 2jbk n GLU 189 Cb 0.04 -1.51 -0.13 0.00 -1.01 0.00 0.00 31.44 28.82 2jbk n GLU 189 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jbk h ARG 190 N 0.00 0.01 0.00 3.49 3.08 0.58 -3.28 114.38 118.27 2jbk h ARG 190 Ca -0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2jbk h ARG 190 Cb 1.91 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.97 2jbk h ARG 190 CO 0.02 0.72 0.00 -0.25 -1.07 0.00 0.00 179.97 179.39 2jbk n ASP 191 N -3.18 0.00 -0.21 7.04 8.00 -0.84 -4.49 116.55 122.87 2jbk n ASP 191 Ca -0.10 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.59 2jbk n ASP 191 Cb 1.01 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 42.44 2jbk n ASP 191 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2jbk n MET 192 N -0.08 -0.02 -1.53 -1.24 2.81 -1.14 -4.68 117.12 111.24 2jbk n MET 192 Ca 0.00 0.66 -0.18 0.00 -1.81 0.00 0.00 57.70 56.37 2jbk n MET 192 Cb 0.00 -1.26 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 2jbk n MET 192 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jbk n LYS 193 N -3.84 -1.44 -2.41 0.03 0.00 0.10 -4.92 118.16 105.68 2jbk n LYS 193 Ca 0.20 1.14 -0.40 0.00 -0.00 0.00 0.00 58.31 59.25 2jbk n LYS 193 Cb 0.75 -5.49 -0.04 0.00 -0.00 0.00 0.00 35.03 30.25 2jbk n LYS 193 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jbk s ILE 194 N -2.59 3.36 -0.25 0.58 1.09 -0.54 -4.94 121.20 117.90 2jbk s ILE 194 Ca 0.00 1.31 -0.02 0.00 -1.10 0.00 0.00 60.65 60.83 2jbk s ILE 194 Cb 0.00 -3.81 0.02 0.00 -1.06 0.00 0.00 42.46 37.61 2jbk s ILE 194 CO 0.00 0.27 -0.04 0.21 -0.10 0.00 0.00 174.94 175.27 2jbk s ASN 195 N -0.92 4.38 0.22 3.58 3.84 -1.26 -3.93 114.94 120.85 2jbk s ASN 195 Ca 0.48 -0.79 0.25 0.00 0.21 0.00 0.00 52.86 53.01 2jbk s ASN 195 Cb -0.32 -1.70 0.88 0.00 -0.55 0.00 0.00 41.25 39.57 2jbk s ASN 195 CO 0.41 -0.12 1.76 0.00 -2.79 0.00 0.00 177.10 176.36 2jbk n SER 197 N -2.22 -1.55 0.00 0.00 2.88 -1.18 -0.80 113.62 110.75 2jbk n SER 197 Ca 0.04 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2jbk n SER 197 Cb 0.35 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2jbk n SER 197 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jbk n GLY 198 N 1.71 0.36 4.02 0.46 0.00 -1.09 -4.88 105.19 105.78 2jbk n GLY 198 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2jbk n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbk s LYS 199 N 0.00 1.94 -0.18 1.61 3.01 0.02 -4.67 119.74 121.47 2jbk s LYS 199 Ca 0.00 -1.47 -0.03 0.00 -1.01 0.00 0.00 55.97 53.45 2jbk s LYS 199 Cb 0.00 -2.50 -0.02 0.00 -1.01 0.00 0.00 37.83 34.31 2jbk s LYS 199 CO 0.00 -1.20 -0.05 0.42 0.51 0.00 0.00 175.35 175.03 2jbk s ILE 200 N -2.91 3.57 -0.10 2.17 1.01 -1.22 -0.04 121.20 123.67 2jbk s ILE 200 Ca 0.65 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 2jbk s ILE 200 Cb -0.05 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2jbk s ILE 200 CO 0.42 0.46 0.48 0.68 0.00 0.00 0.00 174.94 176.98 2jbk s VAL 201 N 0.88 5.16 -0.13 2.92 -7.23 -0.64 -0.32 120.40 121.04 2jbk s VAL 201 Ca -0.01 0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 61.11 2jbk s VAL 201 Cb -0.15 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.96 2jbk s VAL 201 CO 0.01 0.35 -0.08 -0.51 -0.31 0.00 0.00 175.10 174.56 2jbk s ILE 202 N 0.43 3.52 0.22 -0.62 2.07 -0.98 -0.71 121.20 125.13 2jbk s ILE 202 Ca 0.26 -0.50 -0.00 0.00 -1.41 0.00 0.00 60.65 59.00 2jbk s ILE 202 Cb -0.15 -2.50 -0.04 0.00 0.13 0.00 0.00 42.46 39.89 2jbk s ILE 202 CO 0.11 0.53 0.12 0.00 -1.91 0.00 0.00 174.94 173.79 2jbk s ALA 203 N 0.12 1.38 -0.09 1.50 0.00 -0.25 -3.12 121.76 121.30 2jbk s ALA 203 Ca -0.03 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.17 2jbk s ALA 203 Cb -0.14 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.23 2jbk s ALA 203 CO 0.04 -0.55 -0.11 -0.98 0.00 0.00 0.00 175.76 174.16 2jbk s ARG 204 N -4.10 2.99 1.02 0.00 1.70 1.00 -1.33 118.95 120.21 2jbk s ARG 204 Ca 0.39 -0.64 -0.16 0.00 -0.47 0.00 0.00 55.73 54.85 2jbk s ARG 204 Cb 0.07 -2.57 0.02 0.00 -0.57 0.00 0.00 34.95 31.90 2jbk s ARG 204 CO 0.13 0.46 0.02 0.66 -1.08 0.00 0.00 175.30 175.48 2jbk n TYR 205 N 2.83 -1.85 0.00 5.89 0.53 0.65 -4.55 117.16 120.65 2jbk n TYR 205 Ca -0.18 0.20 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 2jbk n TYR 205 Cb 0.53 -1.65 0.00 0.00 -1.03 0.00 0.00 39.34 37.19 2jbk n TYR 205 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2jbk n GLY 206 N 2.01 2.73 4.79 2.72 0.00 -1.26 -4.79 105.19 111.39 2jbk n GLY 206 Ca 0.03 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jbk n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbk n LYS 207 N 0.60 0.00 -4.22 1.61 4.01 -1.26 -4.86 118.16 114.05 2jbk n LYS 207 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 2jbk n LYS 207 Cb 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.42 2jbk n LYS 207 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2jbk s VAL 208 N 0.00 0.84 0.05 -0.18 -7.23 -1.26 -4.63 120.40 107.99 2jbk s VAL 208 Ca 0.00 -1.99 -0.36 0.00 -1.81 0.00 0.00 61.98 57.83 2jbk s VAL 208 Cb 0.00 -1.86 -0.15 0.00 0.56 0.00 0.00 36.38 34.93 2jbk s VAL 208 CO 0.00 -0.72 1.54 0.33 -0.31 0.00 0.00 175.10 175.93 2jbk n PHE 209 N -0.15 1.95 -0.08 2.82 7.35 -1.26 -4.83 117.46 123.27 2jbk n PHE 209 Ca -0.10 0.41 0.26 0.00 -0.76 0.00 0.00 57.45 57.26 2jbk n PHE 209 Cb 0.61 -2.46 0.70 0.00 0.35 0.00 0.00 39.48 38.68 2jbk n PHE 209 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2jbk h ARG 210 N 5.90 0.00 -0.22 -4.13 0.11 -1.93 -0.92 114.38 113.18 2jbk h ARG 210 Ca -0.47 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.52 2jbk h ARG 210 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2jbk h ARG 210 CO 0.86 0.00 -0.29 0.78 0.10 0.00 0.00 179.97 181.42 2jbk h GLY 211 N 0.00 0.47 1.00 0.08 0.00 -1.80 -2.92 103.07 99.90 2jbk h GLY 211 Ca 0.35 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.29 2jbk h GLY 211 CO -0.00 0.36 0.34 3.43 0.00 0.00 0.00 176.54 180.67 2jbk h ASN 212 N 0.38 0.59 0.19 0.19 4.21 -1.49 -1.68 115.58 117.97 2jbk h ASN 212 Ca 0.05 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 2jbk h ASN 212 Cb 0.70 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2jbk h ASN 212 CO 0.05 0.43 -0.09 0.11 -1.29 0.00 0.00 177.43 176.64 2jbk h LYS 213 N 0.70 -0.25 -0.51 0.81 1.57 -1.54 0.08 116.57 117.43 2jbk h LYS 213 Ca 0.19 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.08 2jbk h LYS 213 Cb -0.08 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2jbk h LYS 213 CO -0.04 -0.03 0.35 0.28 -0.57 0.00 0.00 179.45 179.44 2jbk h VAL 214 N -0.43 0.88 -0.13 0.50 2.07 -1.56 0.60 116.25 118.18 2jbk h VAL 214 Ca -0.03 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 2jbk h VAL 214 Cb 0.33 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2jbk h VAL 214 CO 0.04 0.05 -0.24 0.50 0.02 0.00 0.00 177.57 177.95 2jbk h LYS 215 N 0.28 0.39 0.20 1.57 3.64 -1.03 -2.29 116.57 119.33 2jbk h LYS 215 Ca 0.24 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jbk h LYS 215 Cb 0.56 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2jbk h LYS 215 CO -0.05 0.84 -0.29 -0.91 -2.27 0.00 0.00 179.45 176.77 2jbk h ASN 216 N -0.02 -0.83 -0.79 4.20 4.21 0.03 0.52 115.58 122.90 2jbk h ASN 216 Ca 0.01 0.08 0.17 0.00 1.21 0.00 0.00 56.30 57.76 2jbk h ASN 216 Cb 0.82 0.29 -0.15 0.00 -1.12 0.00 0.00 38.32 38.16 2jbk h ASN 216 CO 0.05 -0.35 -0.14 0.00 -1.29 0.00 0.00 177.43 175.70 2jbk h ALA 217 N -1.16 0.61 -0.07 -0.83 0.00 -1.05 0.11 119.26 116.87 2jbk h ALA 217 Ca -0.02 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2jbk h ALA 217 Cb 0.47 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2jbk h ALA 217 CO -0.09 -0.42 -0.25 1.96 0.00 0.00 0.00 179.25 180.46 2jbk h GLN 218 N 0.02 -0.34 -0.75 0.00 4.20 -1.13 -1.31 115.11 115.81 2jbk h GLN 218 Ca 0.40 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.30 2jbk h GLN 218 Cb 0.64 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 28.38 2jbk h GLN 218 CO -0.78 -0.22 0.09 -0.07 -0.67 0.00 0.00 178.83 177.17 2jbk h LEU 219 N -0.35 -0.18 -2.34 1.46 3.38 0.14 -0.06 115.31 117.36 2jbk h LEU 219 Ca 0.08 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2jbk h LEU 219 Cb 0.47 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jbk h LEU 219 CO -0.27 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.14 2jbk n ALA 220 N -2.80 2.63 -0.73 1.53 0.00 -0.13 -4.82 120.51 116.19 2jbk n ALA 220 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jbk n ALA 220 Cb 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2jbk n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jbk n GLY 221 N 0.89 0.09 3.50 0.00 0.00 -0.04 -3.11 105.19 106.51 2jbk n GLY 221 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jbk n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbk n ALA 222 N 1.00 -2.20 -0.09 4.61 0.00 -0.82 -2.66 120.51 120.35 2jbk n ALA 222 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2jbk n ALA 222 Cb 0.17 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2jbk n ALA 222 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jbk n LYS 223 N -3.08 1.03 -3.59 0.00 0.00 0.94 -4.79 118.16 108.67 2jbk n LYS 223 Ca 0.07 -0.97 -0.05 0.00 -0.00 0.00 0.00 58.31 57.37 2jbk n LYS 223 Cb 0.54 -0.96 -0.02 0.00 -0.00 0.00 0.00 35.03 34.59 2jbk n LYS 223 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2jbk s GLY 224 N -0.49 -0.30 -0.05 2.58 0.00 -1.25 -4.43 107.32 103.38 2jbk s GLY 224 Ca 0.00 1.57 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 2jbk s GLY 224 CO 0.00 0.53 0.12 0.14 0.00 0.00 0.00 173.10 173.89 2jbk s VAL 225 N -2.45 -0.02 -0.14 1.40 1.01 -0.50 -1.62 120.40 118.08 2jbk s VAL 225 Ca 0.09 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2jbk s VAL 225 Cb -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.20 2jbk s VAL 225 CO -0.05 0.03 -0.18 -0.63 0.00 0.00 0.00 175.10 174.26 2jbk s ILE 226 N 0.45 1.83 0.09 2.22 1.01 0.11 -1.92 121.20 124.99 2jbk s ILE 226 Ca -0.03 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 2jbk s ILE 226 Cb -0.05 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 2jbk s ILE 226 CO -0.02 0.50 0.36 -0.76 0.00 0.00 0.00 174.94 175.02 2jbk s LEU 227 N 1.11 4.32 0.14 2.97 1.43 0.61 -1.10 118.68 128.16 2jbk s LEU 227 Ca -0.02 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2jbk s LEU 227 Cb -0.14 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2jbk s LEU 227 CO -0.06 0.14 0.08 -0.72 0.23 0.00 0.00 176.35 176.01 2jbk s TYR 228 N -1.49 0.84 -0.22 0.29 -0.85 -0.44 -0.19 117.35 115.29 2jbk s TYR 228 Ca 0.35 -1.20 -0.06 0.00 -0.52 0.00 0.00 57.07 55.64 2jbk s TYR 228 Cb -0.13 -0.45 -0.02 0.00 0.38 0.00 0.00 41.96 41.74 2jbk s TYR 228 CO 0.20 -0.54 0.02 -1.12 -1.52 0.00 0.00 175.55 172.59 2jbk s SER 229 N -3.05 4.83 -0.15 -0.18 0.01 -1.12 -0.26 113.70 113.78 2jbk s SER 229 Ca 0.24 -0.24 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 2jbk s SER 229 Cb 0.07 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2jbk s SER 229 CO 0.02 0.01 0.26 -0.62 0.41 0.00 0.00 173.24 173.32 2jbk s ASP 230 N 1.31 6.43 0.54 2.44 3.68 -1.26 -3.87 116.67 125.95 2jbk s ASP 230 Ca 0.04 0.50 0.34 0.00 2.13 0.00 0.00 52.55 55.56 2jbk s ASP 230 Cb -0.15 -2.16 1.51 0.00 -1.45 0.00 0.00 42.92 40.68 2jbk s ASP 230 CO 0.01 0.17 1.85 -0.65 0.13 0.00 0.00 175.17 176.68 2jbk h PRO 231 N 6.29 0.00 -0.93 4.34 0.11 -1.93 0.89 132.00 140.77 2jbk h PRO 231 Ca -0.44 0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.98 2jbk h PRO 231 Cb 1.17 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.11 2jbk h PRO 231 CO 0.72 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 178.71 2jbk n ALA 232 N -2.73 0.66 -0.02 -0.75 0.00 -1.26 -0.16 120.51 116.24 2jbk n ALA 232 Ca 0.22 0.98 0.04 0.00 0.00 0.00 0.00 53.44 54.68 2jbk n ALA 232 Cb 1.09 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 2jbk n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jbk n ASP 233 N -5.28 1.79 -0.34 0.00 8.00 0.30 -4.60 116.55 116.43 2jbk n ASP 233 Ca 0.27 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.83 2jbk n ASP 233 Cb 0.90 1.48 0.13 0.00 -0.02 0.00 0.00 41.12 43.61 2jbk n ASP 233 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2jbk n TYR 234 N -2.09 0.30 -3.86 1.24 4.02 -0.75 -4.86 117.16 111.16 2jbk n TYR 234 Ca -0.06 -0.76 -0.30 0.00 -0.01 0.00 0.00 57.90 56.77 2jbk n TYR 234 Cb 0.48 -0.14 -0.14 0.00 -0.02 0.00 0.00 39.34 39.52 2jbk n TYR 234 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2jbk s PHE 235 N -2.06 2.74 0.06 -0.72 5.36 0.77 -3.61 117.98 120.53 2jbk s PHE 235 Ca 0.25 -2.90 -0.30 0.00 -0.96 0.00 0.00 56.93 53.01 2jbk s PHE 235 Cb 0.19 -2.47 -0.09 0.00 -0.34 0.00 0.00 43.02 40.31 2jbk s PHE 235 CO 0.06 -0.75 1.90 0.00 -1.46 0.00 0.00 175.22 174.96 2jbk s ALA 236 N -0.09 3.65 0.25 11.12 0.00 -1.26 -4.89 121.76 130.54 2jbk s ALA 236 Ca 0.18 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 2jbk s ALA 236 Cb -0.25 -3.81 -0.14 0.00 0.00 0.00 0.00 23.12 18.92 2jbk s ALA 236 CO -0.00 -1.43 1.08 -2.30 0.00 0.00 0.00 175.76 173.10 2jbk n PRO 237 N 6.84 1.34 0.00 0.00 -0.02 -1.26 -2.64 135.00 139.25 2jbk n PRO 237 Ca 0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2jbk n PRO 237 Cb 0.40 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2jbk n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jbk n GLY 238 N 1.55 2.61 3.88 -1.23 0.00 -1.26 -5.01 105.19 105.73 2jbk n GLY 238 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2jbk n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jbk s VAL 239 N -2.04 5.06 0.25 1.61 -7.23 -1.08 -5.11 120.40 111.87 2jbk s VAL 239 Ca 0.00 0.31 -0.05 0.00 -1.81 0.00 0.00 61.98 60.43 2jbk s VAL 239 Cb 0.00 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 2jbk s VAL 239 CO 0.00 0.08 0.51 -1.59 -0.31 0.00 0.00 175.10 173.78 2jbk s LYS 240 N -2.49 3.63 0.70 4.82 0.00 -1.26 -4.75 119.74 120.39 2jbk s LYS 240 Ca 0.41 -0.04 -0.16 0.00 0.00 0.00 0.00 55.97 56.17 2jbk s LYS 240 Cb -0.12 -2.70 -0.01 0.00 0.00 0.00 0.00 37.83 34.99 2jbk s LYS 240 CO 0.22 0.28 0.84 0.43 0.00 0.00 0.00 175.35 177.11 2jbk n SER 241 N -0.72 0.03 -4.73 0.03 7.64 -1.26 -1.84 113.62 112.76 2jbk n SER 241 Ca -0.02 0.67 -0.39 0.00 1.01 0.00 0.00 58.87 60.13 2jbk n SER 241 Cb 0.54 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.42 2jbk n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jbk n TYR 242 N -2.36 2.23 1.52 1.43 9.36 -0.73 0.24 117.16 128.85 2jbk n TYR 242 Ca 0.12 0.44 0.05 0.00 3.32 0.00 0.00 57.90 61.83 2jbk n TYR 242 Cb 0.49 -2.37 0.27 0.00 -0.63 0.00 0.00 39.34 37.11 2jbk n TYR 242 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2jbk n PRO 243 N -0.71 0.76 -0.06 2.98 -0.04 -1.26 -4.74 135.00 131.93 2jbk n PRO 243 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2jbk n PRO 243 Cb 0.43 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 2jbk n PRO 243 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jbk n ASP 244 N -0.69 1.67 0.00 3.54 8.00 0.11 -4.98 116.55 124.21 2jbk n ASP 244 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2jbk n ASP 244 Cb 0.03 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 2jbk n ASP 244 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jbk n GLY 245 N 2.15 5.29 0.00 0.44 0.00 0.14 -4.85 105.19 108.36 2jbk n GLY 245 Ca -0.21 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2jbk n GLY 245 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2jbk n TRP 246 N 0.00 0.00 -2.52 1.61 4.27 -0.82 -2.98 117.44 117.01 2jbk n TRP 246 Ca 0.00 -0.39 -0.34 0.00 -3.89 0.00 0.00 57.50 52.87 2jbk n TRP 246 Cb 0.00 -0.04 -0.03 0.00 -1.36 0.00 0.00 31.31 29.88 2jbk n TRP 246 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 2jbk s ASN 247 N -0.79 6.34 -0.05 -0.67 0.01 -1.07 -4.26 114.94 114.44 2jbk s ASN 247 Ca 0.00 1.96 -0.30 0.00 -0.71 0.00 0.00 52.86 53.82 2jbk s ASN 247 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2jbk s ASN 247 CO 0.00 -0.78 1.37 -0.22 -1.51 0.00 0.00 177.10 175.95 2jbk s LEU 248 N -3.41 4.28 0.90 0.60 2.96 -1.24 -1.78 118.68 121.00 2jbk s LEU 248 Ca 0.67 1.98 -0.11 0.00 -0.22 0.00 0.00 54.13 56.45 2jbk s LEU 248 Cb -0.18 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.10 2jbk s LEU 248 CO 0.21 -0.73 1.13 -2.65 -1.32 0.00 0.00 176.35 172.99 2jbk n PRO 249 N 5.85 -0.36 0.00 0.98 -0.02 -1.26 -4.92 135.00 135.28 2jbk n PRO 249 Ca 0.13 -0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2jbk n PRO 249 Cb 0.44 -2.37 0.59 0.00 -0.02 0.00 0.00 33.50 32.15 2jbk n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jbk n GLY 250 N 0.37 -1.15 0.09 -1.23 0.00 -1.26 -2.69 105.19 99.32 2jbk n GLY 250 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2jbk n GLY 250 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jbk h GLY 251 N 4.06 0.19 -1.66 -0.02 0.00 -1.94 -2.71 103.07 101.00 2jbk h GLY 251 Ca 0.00 -0.48 -0.50 0.00 0.00 0.00 0.00 47.33 46.35 2jbk h GLY 251 CO 0.00 0.42 0.25 -0.32 0.00 0.00 0.00 176.54 176.89 2jbk s GLY 252 N -4.67 1.58 -0.13 4.60 0.00 -1.09 -4.60 107.32 103.00 2jbk s GLY 252 Ca -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 2jbk s GLY 252 CO 0.86 -0.15 0.27 0.14 0.00 0.00 0.00 173.10 174.22 2jbk s VAL 253 N -2.97 -0.39 -0.38 1.40 1.01 -1.26 -3.28 120.40 114.52 2jbk s VAL 253 Ca 0.52 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 2jbk s VAL 253 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2jbk s VAL 253 CO 0.48 0.11 1.65 -1.58 0.00 0.00 0.00 175.10 175.76 2jbk s GLN 254 N 2.32 3.38 0.84 2.72 0.74 -1.26 -4.50 119.66 123.89 2jbk s GLN 254 Ca -0.00 1.17 -0.11 0.00 0.05 0.00 0.00 55.36 56.47 2jbk s GLN 254 Cb -0.12 -4.14 0.09 0.00 1.10 0.00 0.00 33.01 29.94 2jbk s GLN 254 CO -0.09 -1.80 1.09 1.03 -0.55 0.00 0.00 175.29 174.97 2jbk s ARG 255 N 5.46 1.74 0.00 1.67 0.52 0.20 -4.87 118.95 123.67 2jbk s ARG 255 Ca 0.71 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 2jbk s ARG 255 Cb -0.18 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2jbk s ARG 255 CO 0.32 -1.96 0.00 0.41 0.02 0.00 0.00 175.30 174.09 2jbk n GLY 256 N -1.14 3.48 3.95 -3.53 0.00 -1.25 -4.82 105.19 101.90 2jbk n GLY 256 Ca 0.08 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 2jbk n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbk s ASN 257 N 0.00 6.26 -0.05 1.61 2.20 -1.26 -2.66 114.94 121.04 2jbk s ASN 257 Ca 0.00 0.28 0.08 0.00 -0.94 0.00 0.00 52.86 52.28 2jbk s ASN 257 Cb 0.00 -1.90 0.12 0.00 -2.00 0.00 0.00 41.25 37.47 2jbk s ASN 257 CO 0.00 -0.25 1.02 2.30 -2.94 0.00 0.00 177.10 177.23 2jbk n ILE 258 N -1.67 0.85 -2.07 0.54 -5.35 -1.24 -4.47 119.36 105.94 2jbk n ILE 258 Ca -0.06 -1.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.08 2jbk n ILE 258 Cb 0.57 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.72 2jbk n ILE 258 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2jbk s LEU 259 N -1.25 3.57 -0.87 7.28 1.43 -1.26 -4.54 118.68 123.04 2jbk s LEU 259 Ca 0.13 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 55.22 2jbk s LEU 259 Cb 0.11 -4.56 0.21 0.00 0.03 0.00 0.00 46.19 41.99 2jbk s LEU 259 CO 0.01 -1.29 0.75 0.59 0.23 0.00 0.00 176.35 176.64 2jbk n ASN 260 N -1.83 4.03 0.14 2.29 3.02 -0.86 -4.73 115.26 117.32 2jbk n ASN 260 Ca 0.10 -3.15 0.05 0.00 -0.03 0.00 0.00 54.58 51.54 2jbk n ASN 260 Cb 0.52 -1.00 0.03 0.00 -0.61 0.00 0.00 39.78 38.72 2jbk n ASN 260 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2jbk h LEU 261 N 5.84 0.00 2.91 3.41 3.38 -1.83 -3.37 115.31 125.66 2jbk h LEU 261 Ca 0.16 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.74 2jbk h LEU 261 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2jbk h LEU 261 CO 0.84 0.37 -0.50 0.59 0.09 0.00 0.00 178.44 179.83 2jbk n ASN 262 N -3.10 -5.60 0.00 -0.43 3.02 -1.26 -2.03 115.26 105.87 2jbk n ASN 262 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jbk n ASN 262 Cb 0.69 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 2jbk n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jbk n GLY 263 N -0.98 0.55 0.14 7.41 0.00 -1.26 -4.47 105.19 106.59 2jbk n GLY 263 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2jbk n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jbk h ALA 264 N 0.00 0.97 0.00 4.61 0.00 -1.77 -3.47 119.26 119.60 2jbk h ALA 264 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jbk h ALA 264 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jbk h ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jbk n GLY 265 N 1.23 -0.69 3.69 0.00 0.00 -1.26 -4.34 105.19 103.82 2jbk n GLY 265 Ca 0.05 -1.22 -0.60 0.00 0.00 0.00 0.00 46.02 44.25 2jbk n GLY 265 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jbk n ASP 266 N 0.68 1.83 0.23 1.61 2.03 -1.26 -4.76 116.55 116.91 2jbk n ASP 266 Ca 0.00 1.12 0.12 0.00 0.52 0.00 0.00 54.79 56.55 2jbk n ASP 266 Cb 0.00 -1.06 0.65 0.00 -0.72 0.00 0.00 41.12 39.99 2jbk n ASP 266 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jbk h PRO 267 N 6.03 0.00 0.00 -0.67 0.13 -1.86 -2.72 132.00 132.90 2jbk h PRO 267 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jbk h PRO 267 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jbk h PRO 267 CO 0.92 0.00 -1.39 1.28 -0.23 0.00 0.00 178.00 178.59 2jbk n LEU 268 N -2.44 0.47 -3.11 1.56 4.77 -1.26 -0.99 117.00 116.00 2jbk n LEU 268 Ca -0.02 -0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 2jbk n LEU 268 Cb 0.21 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2jbk n LEU 268 CO 0.11 0.01 -0.11 0.35 -1.33 0.00 0.00 177.39 176.42 2jbk n THR 269 N -2.15 0.88 -1.91 -5.08 -2.24 -1.03 -2.40 114.28 100.36 2jbk n THR 269 Ca -0.00 -4.90 -0.42 0.00 -2.27 0.00 0.00 64.05 56.45 2jbk n THR 269 Cb 0.49 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2jbk n THR 269 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2jbk s PRO 270 N -2.77 4.19 0.00 -0.78 0.02 -1.25 -2.99 135.00 131.42 2jbk s PRO 270 Ca 0.43 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2jbk s PRO 270 Cb 0.33 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2jbk s PRO 270 CO -0.10 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 2jbk n GLY 271 N 4.04 2.54 3.36 0.52 0.00 -1.26 -5.03 105.19 109.36 2jbk n GLY 271 Ca 0.16 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 2jbk n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jbk s TYR 272 N -1.77 1.77 0.53 1.61 2.02 -1.16 -4.95 117.35 115.40 2jbk s TYR 272 Ca 0.00 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.93 2jbk s TYR 272 Cb 0.00 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.68 2jbk s TYR 272 CO 0.00 0.38 1.21 -2.14 -1.57 0.00 0.00 175.55 173.43 2jbk s PRO 273 N -3.64 3.33 -1.23 -1.71 0.02 -1.26 -4.80 135.00 125.71 2jbk s PRO 273 Ca 0.23 1.85 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 2jbk s PRO 273 Cb -0.01 -2.17 0.19 0.00 0.02 0.00 0.00 34.50 32.53 2jbk s PRO 273 CO 0.08 -0.92 2.09 0.00 -0.33 0.00 0.00 177.00 177.91 2jbk n ALA 274 N -1.06 6.23 -1.76 -1.55 0.00 -1.26 -4.73 120.51 116.39 2jbk n ALA 274 Ca 0.11 -4.31 -0.09 0.00 0.00 0.00 0.00 53.44 49.15 2jbk n ALA 274 Cb 0.48 -2.65 0.07 0.00 0.00 0.00 0.00 19.45 17.36 2jbk n ALA 274 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jbk n ASN 275 N 1.70 0.23 -0.27 0.00 0.23 -1.26 -1.44 115.26 114.45 2jbk n ASN 275 Ca 0.51 -1.30 0.06 0.00 -0.53 0.00 0.00 54.58 53.33 2jbk n ASN 275 Cb 0.28 -0.36 0.21 0.00 -2.08 0.00 0.00 39.78 37.83 2jbk n ASN 275 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2jbk h GLU 276 N 0.00 0.50 -0.02 -3.83 4.39 -1.94 -2.58 114.58 111.11 2jbk h GLU 276 Ca -0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2jbk h GLU 276 Cb 0.49 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jbk h GLU 276 CO 0.13 0.33 -0.12 2.48 -1.16 0.00 0.00 179.01 180.67 2jbk n TYR 277 N -4.94 0.00 -1.68 4.33 0.18 -1.26 -4.97 117.16 108.82 2jbk n TYR 277 Ca 0.16 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.48 2jbk n TYR 277 Cb 0.43 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.34 2jbk n TYR 277 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jbk n ALA 278 N 0.71 1.50 -1.99 -3.48 0.00 -0.97 -4.91 120.51 111.38 2jbk n ALA 278 Ca 0.14 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 2jbk n ALA 278 Cb 0.51 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 2jbk n ALA 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jbk s TYR 279 N 1.89 3.39 0.02 0.00 5.04 -1.26 -4.94 117.35 121.49 2jbk s TYR 279 Ca 0.82 1.43 0.07 0.00 -2.44 0.00 0.00 57.07 56.95 2jbk s TYR 279 Cb -0.64 -3.46 -0.03 0.00 0.35 0.00 0.00 41.96 38.19 2jbk s TYR 279 CO 0.40 -1.27 -0.22 1.03 -1.34 0.00 0.00 175.55 174.16 2jbk s ARG 280 N -0.48 2.05 0.81 4.97 0.52 -1.26 -4.81 118.95 120.75 2jbk s ARG 280 Ca 0.52 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 2jbk s ARG 280 Cb -0.34 -2.12 0.08 0.00 0.52 0.00 0.00 34.95 33.09 2jbk s ARG 280 CO 0.39 0.55 1.09 1.03 0.02 0.00 0.00 175.30 178.37 2jbk s ARG 281 N -1.14 2.00 0.29 3.54 0.52 -1.01 -5.01 118.95 118.14 2jbk s ARG 281 Ca 0.12 0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 55.83 2jbk s ARG 281 Cb -0.10 -1.90 -0.11 0.00 0.52 0.00 0.00 34.95 33.36 2jbk s ARG 281 CO 0.03 -1.72 1.49 0.20 0.02 0.00 0.00 175.30 175.31 2jbk s GLY 282 N -3.71 2.41 0.33 -3.53 0.00 -1.26 -4.88 107.32 96.68 2jbk s GLY 282 Ca 0.61 1.45 0.11 0.00 0.00 0.00 0.00 44.72 46.88 2jbk s GLY 282 CO 0.55 2.34 1.63 -2.22 0.00 0.00 0.00 173.10 175.40 2jbk h ILE 283 N 3.35 0.19 -1.00 0.90 1.08 -1.98 0.87 117.51 120.92 2jbk h ILE 283 Ca -0.47 -0.06 0.26 0.00 -0.39 0.00 0.00 64.86 64.19 2jbk h ILE 283 Cb 1.22 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 34.91 2jbk h ILE 283 CO 0.75 0.03 0.67 0.00 -0.69 0.00 0.00 178.15 178.91 2jbk h ALA 284 N 1.88 2.39 -0.52 1.87 0.00 -2.03 0.36 119.26 123.22 2jbk h ALA 284 Ca 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2jbk h ALA 284 Cb 1.58 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jbk h ALA 284 CO -0.71 -0.74 0.01 0.39 0.00 0.00 0.00 179.25 178.21 2jbk n GLU 285 N -4.50 4.51 -1.59 0.00 4.71 0.29 -5.04 120.64 119.02 2jbk n GLU 285 Ca 0.23 -3.11 -0.39 0.00 -0.01 0.00 0.00 57.16 53.88 2jbk n GLU 285 Cb 0.88 -2.19 0.04 0.00 -1.01 0.00 0.00 31.44 29.15 2jbk n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jbk n ALA 286 N 0.38 -0.03 -2.63 0.62 0.00 0.11 -4.88 120.51 114.09 2jbk n ALA 286 Ca 0.27 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2jbk n ALA 286 Cb 1.16 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2jbk n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jbk s VAL 287 N -1.50 4.67 0.00 0.00 1.01 -0.16 -4.10 120.40 120.33 2jbk s VAL 287 Ca 0.72 1.45 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2jbk s VAL 287 Cb -0.45 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.66 2jbk s VAL 287 CO 0.50 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2jbk n GLY 288 N 4.02 0.60 3.74 4.51 0.00 -1.26 -4.63 105.19 112.17 2jbk n GLY 288 Ca 0.08 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2jbk n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbk s LEU 289 N -0.26 4.43 0.74 0.99 1.43 -1.26 -2.03 118.68 122.72 2jbk s LEU 289 Ca 0.00 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 2jbk s LEU 289 Cb 0.00 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2jbk s LEU 289 CO 0.00 0.01 1.07 -2.16 0.23 0.00 0.00 176.35 175.50 2jbk s PRO 290 N 0.02 2.56 0.00 1.29 0.04 -1.26 -4.97 135.00 132.68 2jbk s PRO 290 Ca 0.38 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.45 2jbk s PRO 290 Cb -0.20 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.50 2jbk s PRO 290 CO 0.22 -1.37 0.90 -1.13 0.04 0.00 0.00 177.00 175.66 2jbk n SER 291 N -3.31 1.99 -4.32 6.66 3.41 -1.26 -4.39 113.62 112.40 2jbk n SER 291 Ca 0.08 -1.59 -0.32 0.00 -0.26 0.00 0.00 58.87 56.78 2jbk n SER 291 Cb 0.54 -0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.27 2jbk n SER 291 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2jbk s ILE 292 N -0.75 2.25 0.52 -1.33 -4.36 -1.26 -4.88 121.20 111.39 2jbk s ILE 292 Ca 0.10 -1.02 -0.21 0.00 -0.26 0.00 0.00 60.65 59.27 2jbk s ILE 292 Cb 0.06 -1.81 -0.06 0.00 1.25 0.00 0.00 42.46 41.90 2jbk s ILE 292 CO 0.09 0.58 1.16 -2.16 0.24 0.00 0.00 174.94 174.84 2jbk s PRO 293 N -0.40 3.43 0.04 0.37 0.04 -1.26 -4.42 135.00 132.80 2jbk s PRO 293 Ca 0.04 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2jbk s PRO 293 Cb -0.12 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 2jbk s PRO 293 CO 0.01 -0.81 -0.06 0.08 0.04 0.00 0.00 177.00 176.26 2jbk s VAL 294 N -1.67 0.44 -0.19 -0.36 1.01 -1.25 -1.41 120.40 116.97 2jbk s VAL 294 Ca 0.70 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2jbk s VAL 294 Cb -0.27 -0.61 0.07 0.00 0.00 0.00 0.00 36.38 35.58 2jbk s VAL 294 CO 0.31 -0.46 0.73 -2.28 0.00 0.00 0.00 175.10 173.40 2jbk s HIS 295 N -1.60 -0.72 0.03 5.22 5.04 -0.81 -4.43 115.29 118.03 2jbk s HIS 295 Ca -0.10 1.59 0.01 0.00 -1.54 0.00 0.00 55.06 55.03 2jbk s HIS 295 Cb -0.09 0.33 -0.04 0.00 0.04 0.00 0.00 32.58 32.82 2jbk s HIS 295 CO -0.01 -0.45 0.07 -1.25 -2.34 0.00 0.00 174.74 170.76 2jbk s PRO 296 N -0.20 2.93 0.08 2.88 0.04 -1.26 -0.28 135.00 139.20 2jbk s PRO 296 Ca -0.04 -0.60 0.02 0.00 0.04 0.00 0.00 61.00 60.43 2jbk s PRO 296 Cb -0.03 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2jbk s PRO 296 CO 0.04 0.61 -0.08 0.96 0.04 0.00 0.00 177.00 178.57 2jbk s ILE 297 N -1.26 0.72 1.05 0.56 -4.36 0.74 -4.89 121.20 113.75 2jbk s ILE 297 Ca 0.25 -1.60 -0.15 0.00 -0.26 0.00 0.00 60.65 58.90 2jbk s ILE 297 Cb -0.12 -1.27 0.21 0.00 1.25 0.00 0.00 42.46 42.53 2jbk s ILE 297 CO 0.17 -0.64 1.13 -0.83 0.24 0.00 0.00 174.94 175.01 2jbk s GLY 298 N -2.44 1.59 0.44 6.27 0.00 -1.21 -2.81 107.32 109.18 2jbk s GLY 298 Ca 0.03 -0.69 0.25 0.00 0.00 0.00 0.00 44.72 44.32 2jbk s GLY 298 CO -0.02 0.02 1.69 0.10 0.00 0.00 0.00 173.10 174.89 2jbk h TYR 299 N -2.02 0.00 0.25 1.90 -0.00 -1.66 -1.73 116.97 113.71 2jbk h TYR 299 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.23 2jbk h TYR 299 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.04 2jbk h TYR 299 CO -0.65 0.00 -0.20 1.88 -0.00 0.00 0.00 178.16 179.19 2jbk h TYR 300 N 0.00 -0.55 -0.89 0.10 0.05 -1.85 -0.65 116.97 113.18 2jbk h TYR 300 Ca 0.00 0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 2jbk h TYR 300 Cb 0.89 0.21 -0.07 0.00 1.01 0.00 0.00 36.73 38.77 2jbk h TYR 300 CO 0.00 -0.28 0.58 -0.44 -1.05 0.00 0.00 178.16 176.97 2jbk h ASP 301 N -0.43 0.77 -0.07 3.88 5.19 -1.77 -2.40 116.42 121.59 2jbk h ASP 301 Ca -0.03 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2jbk h ASP 301 Cb 0.36 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 2jbk h ASP 301 CO 0.00 0.44 -0.23 0.00 -3.12 0.00 0.00 179.24 176.33 2jbk h ALA 302 N 1.57 -0.60 -0.73 3.45 0.00 -1.03 0.21 119.26 122.12 2jbk h ALA 302 Ca 0.42 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.48 2jbk h ALA 302 Cb 0.48 0.78 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 2jbk h ALA 302 CO -0.19 -0.69 -0.10 0.94 0.00 0.00 0.00 179.25 179.22 2jbk n GLN 303 N -3.76 -0.06 0.26 0.00 7.27 -0.28 0.28 117.38 121.09 2jbk n GLN 303 Ca -0.02 1.13 0.12 0.00 0.07 0.00 0.00 57.00 58.29 2jbk n GLN 303 Cb 0.15 -1.73 0.70 0.00 2.41 0.00 0.00 30.24 31.78 2jbk n GLN 303 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2jbk h LYS 304 N 0.00 0.00 0.04 3.69 6.56 -0.32 0.13 116.57 126.67 2jbk h LYS 304 Ca 0.39 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.66 2jbk h LYS 304 Cb 0.70 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.32 2jbk h LYS 304 CO -0.73 0.12 -1.88 1.28 -2.06 0.00 0.00 179.45 176.18 2jbk n LEU 305 N -3.77 1.39 -0.06 2.94 4.32 0.78 -4.21 117.00 118.40 2jbk n LEU 305 Ca -0.02 0.30 -0.08 0.00 -0.02 0.00 0.00 56.01 56.19 2jbk n LEU 305 Cb 0.23 -0.22 0.09 0.00 -1.62 0.00 0.00 43.42 41.90 2jbk n LEU 305 CO 0.31 0.56 0.65 -0.07 -1.22 0.00 0.00 177.39 177.61 2jbk h LEU 306 N 0.02 0.73 -1.20 2.23 3.38 -0.54 -3.36 115.31 116.57 2jbk h LEU 306 Ca -0.36 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.44 2jbk h LEU 306 Cb 2.04 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 42.51 2jbk h LEU 306 CO 0.07 0.99 0.59 1.05 0.09 0.00 0.00 178.44 181.22 2jbk h GLU 307 N 0.59 0.79 -0.60 1.13 4.11 -0.92 -2.13 114.58 117.56 2jbk h GLU 307 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2jbk h GLU 307 Cb 0.82 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2jbk h GLU 307 CO 0.07 0.52 0.00 1.63 0.07 0.00 0.00 179.01 181.30 2jbk n LYS 308 N -4.56 1.73 -2.04 1.06 5.02 -1.26 -4.81 118.16 113.29 2jbk n LYS 308 Ca 0.17 -0.71 -0.43 0.00 -2.02 0.00 0.00 58.31 55.32 2jbk n LYS 308 Cb 0.39 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 2jbk n LYS 308 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2jbk s MET 309 N -1.56 3.53 0.00 1.97 -1.94 -0.80 0.02 119.30 120.52 2jbk s MET 309 Ca 0.13 1.54 0.00 0.00 -1.71 0.00 0.00 55.69 55.65 2jbk s MET 309 Cb 0.08 -4.13 0.00 0.00 2.01 0.00 0.00 34.83 32.79 2jbk s MET 309 CO 0.06 -1.62 0.00 0.41 -0.01 0.00 0.00 175.02 173.86 2jbk n GLY 310 N 5.12 -2.08 5.31 -0.03 0.00 0.59 -4.33 105.19 109.76 2jbk n GLY 310 Ca 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2jbk n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jbk n GLY 311 N 1.62 0.81 3.64 -0.02 0.00 -0.97 -2.24 105.19 108.03 2jbk n GLY 311 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2jbk n GLY 311 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jbk s SER 312 N -3.03 2.17 0.63 1.61 0.01 -1.18 -4.60 113.70 109.30 2jbk s SER 312 Ca 0.00 1.16 -0.14 0.00 1.31 0.00 0.00 55.95 58.27 2jbk s SER 312 Cb 0.00 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2jbk s SER 312 CO 0.00 -3.41 1.06 0.00 0.41 0.00 0.00 173.24 171.30 2jbk s ALA 313 N -2.90 2.70 0.27 1.44 0.00 -1.26 -2.85 121.76 119.16 2jbk s ALA 313 Ca 0.66 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2jbk s ALA 313 Cb -0.19 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 2jbk s ALA 313 CO 0.58 -0.96 1.42 -0.35 0.00 0.00 0.00 175.76 176.45 2jbk n PRO 314 N -2.36 2.19 0.00 0.00 -0.04 -1.23 -4.53 135.00 129.02 2jbk n PRO 314 Ca 0.08 0.78 0.09 0.00 -0.04 0.00 0.00 63.50 64.41 2jbk n PRO 314 Cb 0.53 -2.44 0.50 0.00 -0.04 0.00 0.00 33.50 32.05 2jbk n PRO 314 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2jbk n PRO 315 N 1.73 0.52 0.00 0.54 -0.04 -1.26 -4.78 135.00 131.71 2jbk n PRO 315 Ca 0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2jbk n PRO 315 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2jbk n PRO 315 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jbk n ASP 316 N -1.01 0.00 0.29 3.54 5.68 -1.26 -4.98 116.55 118.81 2jbk n ASP 316 Ca 0.13 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.57 2jbk n ASP 316 Cb 0.06 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 40.89 2jbk n ASP 316 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jbk h SER 317 N 0.00 0.00 -0.37 -1.12 4.64 -1.98 0.16 113.55 114.88 2jbk h SER 317 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2jbk h SER 317 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jbk h SER 317 CO 0.00 0.06 0.25 0.77 -0.87 0.00 0.00 176.83 177.05 2jbk h SER 318 N 0.00 0.27 0.00 4.97 4.64 -1.98 -1.86 113.55 119.58 2jbk h SER 318 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jbk h SER 318 Cb 0.23 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2jbk h SER 318 CO 0.01 0.18 0.00 0.79 -0.87 0.00 0.00 176.83 176.94 2jbk n TRP 319 N -4.48 0.00 -3.96 4.77 7.02 0.54 -4.89 117.44 116.43 2jbk n TRP 319 Ca 0.04 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.24 2jbk n TRP 319 Cb 0.22 -0.02 -0.17 0.00 -2.42 0.00 0.00 31.31 28.92 2jbk n TRP 319 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2jbk s ARG 320 N -1.79 1.93 0.00 -0.99 3.00 -0.70 -4.93 118.95 115.46 2jbk s ARG 320 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 55.73 55.28 2jbk s ARG 320 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 33.04 2jbk s ARG 320 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.30 175.44 2jbk n GLY 321 N 4.84 -0.50 1.61 -3.53 0.00 -1.26 -4.98 105.19 101.36 2jbk n GLY 321 Ca -0.15 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.14 2jbk n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jbk n SER 322 N -2.39 4.41 -4.75 1.61 7.64 -1.26 -4.89 113.62 113.99 2jbk n SER 322 Ca 0.00 -2.78 -0.40 0.00 1.01 0.00 0.00 58.87 56.70 2jbk n SER 322 Cb 0.00 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2jbk n SER 322 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jbk s LEU 323 N -2.13 4.62 -1.19 -3.43 1.02 -1.26 -4.90 118.68 111.40 2jbk s LEU 323 Ca 0.41 2.02 -0.22 0.00 0.02 0.00 0.00 54.13 56.36 2jbk s LEU 323 Cb 0.32 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.88 2jbk s LEU 323 CO 0.11 0.08 1.86 -0.54 0.02 0.00 0.00 176.35 177.88 2jbk s LYS 324 N -1.16 2.95 0.28 1.70 3.01 -1.26 -4.84 119.74 120.40 2jbk s LYS 324 Ca 0.42 -1.33 -0.16 0.00 -1.01 0.00 0.00 55.97 53.89 2jbk s LYS 324 Cb -0.27 -5.32 0.01 0.00 -1.01 0.00 0.00 37.83 31.24 2jbk s LYS 324 CO 0.34 -3.41 0.60 0.14 0.51 0.00 0.00 175.35 173.53 2jbk s VAL 325 N 8.89 0.00 -0.49 3.17 -7.23 -1.26 -5.00 120.40 118.48 2jbk s VAL 325 Ca 0.64 -1.21 0.25 0.00 -1.81 0.00 0.00 61.98 59.85 2jbk s VAL 325 Cb 0.00 -2.19 0.28 0.00 0.56 0.00 0.00 36.38 35.03 2jbk s VAL 325 CO 0.10 0.00 1.75 -0.65 -0.31 0.00 0.00 175.10 175.99 2jbk h PRO 326 N 2.12 0.00 -6.54 4.82 0.11 -1.87 -3.46 132.00 127.18 2jbk h PRO 326 Ca -0.24 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.36 2jbk h PRO 326 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 2jbk h PRO 326 CO 0.31 0.00 -0.82 0.66 -0.21 0.00 0.00 178.00 177.93 2jbk n TYR 327 N -2.36 -1.89 -2.49 0.65 4.01 -1.26 -4.48 117.16 109.34 2jbk n TYR 327 Ca 0.03 0.82 -0.43 0.00 -0.16 0.00 0.00 57.90 58.16 2jbk n TYR 327 Cb 0.31 -3.48 -0.02 0.00 -0.31 0.00 0.00 39.34 35.84 2jbk n TYR 327 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2jbk s ASN 328 N -3.58 7.02 0.25 7.72 0.01 -1.26 -3.54 114.94 121.56 2jbk s ASN 328 Ca 0.53 1.66 -0.09 0.00 -0.71 0.00 0.00 52.86 54.24 2jbk s ASN 328 Cb -0.28 -2.54 0.38 0.00 0.41 0.00 0.00 41.25 39.22 2jbk s ASN 328 CO 0.89 -0.68 1.60 0.58 -1.51 0.00 0.00 177.10 177.98 2jbk h VAL 329 N 5.33 0.20 0.00 1.60 2.07 -1.72 -3.41 116.25 120.33 2jbk h VAL 329 Ca -0.27 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jbk h VAL 329 Cb 1.11 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2jbk h VAL 329 CO 0.94 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.14 2jbk n GLY 330 N -1.51 0.43 0.00 2.17 0.00 -0.95 -0.70 105.19 104.64 2jbk n GLY 330 Ca 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jbk n GLY 330 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jbk n PRO 331 N 0.00 2.57 -0.85 1.61 -0.04 -1.26 -3.11 135.00 133.92 2jbk n PRO 331 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2jbk n PRO 331 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2jbk n PRO 331 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jbk n GLY 332 N 3.06 -1.10 3.75 0.55 0.00 -1.15 -2.30 105.19 108.01 2jbk n GLY 332 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2jbk n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jbk s PHE 333 N -3.94 3.70 0.00 1.61 2.99 -1.24 -0.30 117.98 120.80 2jbk s PHE 333 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 56.93 58.24 2jbk s PHE 333 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 43.02 40.32 2jbk s PHE 333 CO 0.00 0.31 0.00 -2.37 -0.00 0.00 0.00 175.22 173.16 2jbk n THR 334 N 2.78 0.00 -0.01 0.64 5.66 0.10 -3.69 114.28 119.76 2jbk n THR 334 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2jbk n THR 334 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 2jbk n THR 334 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2jbk n PHE 337 N -0.33 0.00 0.00 1.09 3.01 -1.26 -4.94 117.46 115.04 2jbk n PHE 337 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jbk n PHE 337 Cb 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2jbk n PHE 337 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2jbk n SER 338 N 2.64 0.00 0.00 4.37 2.88 -1.24 0.49 113.62 122.77 2jbk n SER 338 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jbk n SER 338 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jbk n SER 338 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jbk n THR 339 N -0.30 0.00 -2.72 2.46 -1.04 -1.26 -3.64 114.28 107.77 2jbk n THR 339 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 2jbk n THR 339 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2jbk n THR 339 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jbk s GLN 340 N 0.00 3.42 0.10 -2.82 -0.21 1.84 -4.30 119.66 117.69 2jbk s GLN 340 Ca 0.00 0.06 -0.04 0.00 0.02 0.00 0.00 55.36 55.40 2jbk s GLN 340 Cb 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 2jbk s GLN 340 CO 0.00 -0.23 0.09 0.15 -2.12 0.00 0.00 175.29 173.19 2jbk s LYS 341 N -4.71 0.84 -0.00 2.91 3.01 -0.71 -4.62 119.74 116.46 2jbk s LYS 341 Ca 0.47 -1.21 -0.01 0.00 -1.01 0.00 0.00 55.97 54.21 2jbk s LYS 341 Cb -0.10 0.28 -0.04 0.00 -1.01 0.00 0.00 37.83 36.95 2jbk s LYS 341 CO 0.43 -0.24 0.12 0.08 0.51 0.00 0.00 175.35 176.26 2jbk s VAL 342 N -3.95 5.01 -0.04 3.17 1.01 -0.55 0.02 120.40 125.07 2jbk s VAL 342 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2jbk s VAL 342 Cb 0.06 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 33.16 2jbk s VAL 342 CO -0.05 0.33 0.06 -0.75 0.00 0.00 0.00 175.10 174.68 2jbk s LYS 343 N -1.86 -0.04 0.24 2.72 2.20 -0.90 -2.04 119.74 120.07 2jbk s LYS 343 Ca 0.25 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2jbk s LYS 343 Cb -0.12 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.82 2jbk s LYS 343 CO 0.16 -0.24 0.44 -1.64 -0.36 0.00 0.00 175.35 173.72 2jbk s MET 344 N 1.58 3.52 -0.43 4.03 -1.94 -0.36 -1.93 119.30 123.78 2jbk s MET 344 Ca -0.03 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 2jbk s MET 344 Cb -0.12 -2.78 0.14 0.00 2.01 0.00 0.00 34.83 34.08 2jbk s MET 344 CO -0.03 0.33 0.26 -1.01 -0.01 0.00 0.00 175.02 174.55 2jbk s HIS 345 N -1.99 1.64 -0.20 -0.03 0.09 0.02 -4.03 115.29 110.79 2jbk s HIS 345 Ca 0.39 -2.26 -0.02 0.00 -0.00 0.00 0.00 55.06 53.17 2jbk s HIS 345 Cb -0.11 -1.56 -0.01 0.00 -0.00 0.00 0.00 32.58 30.91 2jbk s HIS 345 CO 0.30 -0.78 -0.08 0.42 -0.00 0.00 0.00 174.74 174.60 2jbk s ILE 346 N 0.38 3.12 -0.09 0.60 -1.09 0.75 -2.33 121.20 122.55 2jbk s ILE 346 Ca 0.20 -0.59 0.19 0.00 -2.23 0.00 0.00 60.65 58.22 2jbk s ILE 346 Cb -0.19 -2.39 0.41 0.00 -1.58 0.00 0.00 42.46 38.72 2jbk s ILE 346 CO -0.03 0.46 1.19 1.41 -1.23 0.00 0.00 174.94 176.73 2jbk n HIS 347 N 4.52 0.00 -1.56 3.97 8.25 -1.26 -0.83 115.22 128.31 2jbk n HIS 347 Ca -0.19 -0.90 -0.31 0.00 -0.26 0.00 0.00 57.72 56.07 2jbk n HIS 347 Cb 0.51 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.49 2jbk n HIS 347 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jbk s SER 348 N -2.49 5.26 0.10 0.41 0.01 -1.26 -3.67 113.70 112.06 2jbk s SER 348 Ca 0.35 1.67 0.09 0.00 1.31 0.00 0.00 55.95 59.37 2jbk s SER 348 Cb 0.37 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2jbk s SER 348 CO -0.12 -1.53 -0.22 0.42 0.41 0.00 0.00 173.24 172.20 2jbk s THR 349 N -2.96 1.83 -0.10 1.44 -4.23 -0.40 -4.60 115.64 106.61 2jbk s THR 349 Ca 0.59 -1.57 -0.09 0.00 -1.18 0.00 0.00 61.69 59.44 2jbk s THR 349 Cb -0.15 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 2jbk s THR 349 CO 0.53 -0.01 0.19 0.20 -0.54 0.00 0.00 174.62 175.00 2jbk s ASN 350 N -1.90 6.46 -0.22 3.99 0.01 -1.26 -1.06 114.94 120.97 2jbk s ASN 350 Ca 0.08 0.55 -0.13 0.00 -0.71 0.00 0.00 52.86 52.65 2jbk s ASN 350 Cb -0.10 -2.11 0.07 0.00 0.41 0.00 0.00 41.25 39.52 2jbk s ASN 350 CO 0.04 0.38 0.54 -1.83 -1.51 0.00 0.00 177.10 174.72 2jbk s GLU 351 N -0.95 0.55 -0.23 -0.60 -1.05 -0.46 -4.94 118.70 111.02 2jbk s GLU 351 Ca 0.16 0.97 -0.38 0.00 -0.15 0.00 0.00 54.97 55.57 2jbk s GLU 351 Cb -0.13 0.08 -0.14 0.00 -0.44 0.00 0.00 34.13 33.50 2jbk s GLU 351 CO 0.05 -0.15 1.80 0.28 0.95 0.00 0.00 175.26 178.20 2jbk n VAL 352 N 4.12 0.39 -4.16 1.83 0.31 -1.26 -2.67 118.33 116.90 2jbk n VAL 352 Ca -0.21 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 2jbk n VAL 352 Cb 0.57 -1.42 -0.11 0.00 -0.91 0.00 0.00 33.84 31.97 2jbk n VAL 352 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jbk s THR 353 N 3.80 0.82 0.04 2.52 2.01 0.99 -4.89 115.64 120.94 2jbk s THR 353 Ca 0.97 -1.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 2jbk s THR 353 Cb -0.96 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 2jbk s THR 353 CO 0.62 -0.61 0.30 -0.60 -0.69 0.00 0.00 174.62 173.64 2jbk s ARG 354 N -2.86 3.61 0.06 4.92 3.52 -1.26 -1.52 118.95 125.42 2jbk s ARG 354 Ca 0.05 -0.05 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2jbk s ARG 354 Cb -0.02 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 2jbk s ARG 354 CO -0.01 0.61 -0.04 0.96 -0.81 0.00 0.00 175.30 176.01 2jbk s ILE 355 N -1.37 0.31 -0.07 4.11 -4.36 -0.29 -4.52 121.20 115.00 2jbk s ILE 355 Ca 0.31 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 2jbk s ILE 355 Cb -0.13 -1.46 0.03 0.00 1.25 0.00 0.00 42.46 42.15 2jbk s ILE 355 CO 0.18 -0.94 0.04 -0.31 0.24 0.00 0.00 174.94 174.15 2jbk s TYR 356 N -3.68 0.34 -0.00 1.37 2.02 -1.26 -1.84 117.35 114.29 2jbk s TYR 356 Ca 0.06 -0.01 -0.09 0.00 -0.37 0.00 0.00 57.07 56.67 2jbk s TYR 356 Cb 0.06 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 2jbk s TYR 356 CO -0.08 -0.29 0.30 -0.80 -1.57 0.00 0.00 175.55 173.11 2jbk s ASN 357 N 2.08 6.57 -0.22 2.29 0.01 0.13 -4.18 114.94 121.63 2jbk s ASN 357 Ca 0.04 0.68 -0.06 0.00 -0.71 0.00 0.00 52.86 52.81 2jbk s ASN 357 Cb -0.13 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 2jbk s ASN 357 CO -0.05 0.28 0.04 -0.69 -1.51 0.00 0.00 177.10 175.17 2jbk s VAL 358 N -1.22 4.22 -0.18 1.60 1.01 -0.07 -1.09 120.40 124.66 2jbk s VAL 358 Ca 0.26 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2jbk s VAL 358 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2jbk s VAL 358 CO 0.14 0.40 -0.19 -0.63 0.00 0.00 0.00 175.10 174.82 2jbk s ILE 359 N 1.12 2.14 -0.15 2.22 -1.09 0.12 -0.48 121.20 125.10 2jbk s ILE 359 Ca 0.03 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 2jbk s ILE 359 Cb -0.14 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 2jbk s ILE 359 CO 0.02 0.53 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.26 2jbk s GLY 360 N 1.29 1.23 -0.02 6.18 0.00 0.12 0.98 107.32 117.11 2jbk s GLY 360 Ca 0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.55 2jbk s GLY 360 CO -0.12 0.30 0.63 -1.59 0.00 0.00 0.00 173.10 172.32 2jbk s THR 361 N 1.21 4.93 -0.34 0.90 2.01 0.11 -1.01 115.64 123.45 2jbk s THR 361 Ca 0.01 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.33 2jbk s THR 361 Cb -0.14 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.49 2jbk s THR 361 CO -0.08 0.37 0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 2jbk s LEU 362 N 0.07 4.55 0.45 4.42 2.96 -0.22 -1.87 118.68 129.04 2jbk s LEU 362 Ca 0.33 -1.88 -0.24 0.00 -0.22 0.00 0.00 54.13 52.12 2jbk s LEU 362 Cb -0.18 -1.68 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 2jbk s LEU 362 CO 0.18 -0.37 1.31 -0.60 -1.32 0.00 0.00 176.35 175.54 2jbk s ARG 363 N 1.04 3.71 0.70 1.98 3.52 -1.26 -0.91 118.95 127.73 2jbk s ARG 363 Ca 0.05 2.15 -0.11 0.00 -0.13 0.00 0.00 55.73 57.68 2jbk s ARG 363 Cb -0.20 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 2jbk s ARG 363 CO -0.06 -0.70 1.07 0.20 -0.81 0.00 0.00 175.30 175.01 2jbk s GLY 364 N -0.85 1.64 -0.12 8.12 0.00 -1.24 -4.40 107.32 110.48 2jbk s GLY 364 Ca 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2jbk s GLY 364 CO 0.47 0.17 -0.11 0.00 0.00 0.00 0.00 173.10 173.64 2jbk n ALA 365 N -3.05 1.79 -0.09 3.20 0.00 -0.54 -4.30 120.51 117.51 2jbk n ALA 365 Ca 0.07 -0.49 -0.15 0.00 0.00 0.00 0.00 53.44 52.86 2jbk n ALA 365 Cb 0.56 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 2jbk n ALA 365 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jbk h VAL 366 N -0.04 0.78 -2.18 0.00 2.07 -1.69 -3.44 116.25 111.76 2jbk h VAL 366 Ca -0.26 -1.86 -0.57 0.00 0.82 0.00 0.00 66.70 64.83 2jbk h VAL 366 Cb 1.39 1.75 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 2jbk h VAL 366 CO -0.05 0.26 -0.78 -0.62 0.02 0.00 0.00 177.57 176.40 2jbk n GLU 367 N -4.52 2.37 0.00 1.57 1.02 0.97 -4.91 120.64 117.13 2jbk n GLU 367 Ca -0.21 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.56 2jbk n GLU 367 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 2jbk n GLU 367 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jbk n PRO 368 N 0.30 0.00 -0.46 3.49 -0.04 -1.26 -1.37 135.00 135.67 2jbk n PRO 368 Ca 0.29 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 2jbk n PRO 368 Cb 0.46 -1.68 0.26 0.00 -0.04 0.00 0.00 33.50 32.50 2jbk n PRO 368 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jbk n ASP 369 N -1.25 3.95 -4.30 3.54 5.75 -1.26 -4.50 116.55 118.47 2jbk n ASP 369 Ca 0.00 -2.91 -0.33 0.00 -0.01 0.00 0.00 54.79 51.54 2jbk n ASP 369 Cb 0.18 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 2jbk n ASP 369 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2jbk s ARG 370 N -2.65 3.26 -0.28 0.11 1.81 -0.47 -4.71 118.95 116.02 2jbk s ARG 370 Ca 0.42 -0.75 -0.08 0.00 -1.72 0.00 0.00 55.73 53.60 2jbk s ARG 370 Cb 0.33 -2.55 -0.01 0.00 -0.45 0.00 0.00 34.95 32.26 2jbk s ARG 370 CO 0.10 0.14 0.10 0.71 -0.68 0.00 0.00 175.30 175.67 2jbk s TYR 371 N 0.49 3.13 -0.19 -0.53 2.02 -0.09 -0.85 117.35 121.34 2jbk s TYR 371 Ca -0.11 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 55.90 2jbk s TYR 371 Cb -0.16 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 2jbk s TYR 371 CO 0.05 -0.44 0.09 0.08 -1.57 0.00 0.00 175.55 173.75 2jbk s VAL 372 N 1.59 5.04 -0.12 0.71 1.01 0.13 -0.18 120.40 128.58 2jbk s VAL 372 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2jbk s VAL 372 Cb -0.16 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2jbk s VAL 372 CO 0.04 0.46 -0.16 -0.63 0.00 0.00 0.00 175.10 174.81 2jbk s ILE 373 N 0.31 1.61 -0.22 2.22 1.01 -0.54 0.51 121.20 126.08 2jbk s ILE 373 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 2jbk s ILE 373 Cb -0.12 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2jbk s ILE 373 CO -0.01 0.46 -0.03 -0.22 0.00 0.00 0.00 174.94 175.15 2jbk s LEU 374 N 0.99 2.99 -0.01 2.97 2.96 -0.31 -0.66 118.68 127.61 2jbk s LEU 374 Ca -0.06 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2jbk s LEU 374 Cb -0.15 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 2jbk s LEU 374 CO -0.02 -0.01 0.06 -0.83 -1.32 0.00 0.00 176.35 174.22 2jbk s GLY 375 N 1.45 0.05 0.24 7.98 0.00 -0.68 -2.40 107.32 113.96 2jbk s GLY 375 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.48 2jbk s GLY 375 CO -0.02 -0.17 0.62 -0.32 0.00 0.00 0.00 173.10 173.22 2jbk s GLY 376 N -0.74 -0.09 0.32 0.20 0.00 -1.04 0.36 107.32 106.34 2jbk s GLY 376 Ca -0.08 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2jbk s GLY 376 CO 0.00 -0.17 0.49 -2.38 0.00 0.00 0.00 173.10 171.04 2jbk s HIS 377 N -3.90 3.42 -0.02 1.90 -3.43 -1.26 0.42 115.29 112.42 2jbk s HIS 377 Ca 0.11 0.15 0.05 0.00 -0.80 0.00 0.00 55.06 54.57 2jbk s HIS 377 Cb -0.03 -1.83 -0.08 0.00 -1.43 0.00 0.00 32.58 29.21 2jbk s HIS 377 CO 0.02 0.17 0.09 -2.13 -2.00 0.00 0.00 174.74 170.89 2jbk n ARG 378 N -1.67 0.87 -3.06 -0.38 0.63 0.82 -4.66 116.66 109.20 2jbk n ARG 378 Ca -0.05 -0.04 -0.33 0.00 -0.92 0.00 0.00 57.85 56.51 2jbk n ARG 378 Cb 0.57 -1.12 -0.06 0.00 0.45 0.00 0.00 32.46 32.29 2jbk n ARG 378 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2jbk s ASP 379 N -2.83 6.83 0.17 6.15 -4.77 -1.26 -4.89 116.67 116.08 2jbk s ASP 379 Ca -0.02 1.39 0.06 0.00 -3.30 0.00 0.00 52.55 50.68 2jbk s ASP 379 Cb 0.03 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 2jbk s ASP 379 CO 0.21 -0.23 -0.12 -0.94 0.70 0.00 0.00 175.17 174.79 2jbk s SER 380 N -2.21 2.10 -0.02 2.11 1.04 -0.71 -4.51 113.70 111.49 2jbk s SER 380 Ca 0.55 -1.00 -0.22 0.00 0.48 0.00 0.00 55.95 55.76 2jbk s SER 380 Cb -0.10 -0.06 -0.23 0.00 0.10 0.00 0.00 66.02 65.72 2jbk s SER 380 CO 0.17 -0.26 1.06 -0.50 0.98 0.00 0.00 173.24 174.69 2jbk h TRP 381 N 2.76 0.43 0.00 5.02 4.06 -1.88 -3.18 115.95 123.16 2jbk h TRP 381 Ca -0.37 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.35 2jbk h TRP 381 Cb 1.20 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2jbk h TRP 381 CO 0.67 1.04 0.00 0.28 -3.56 0.00 0.00 178.44 176.87 2jbk n VAL 382 N -4.37 0.00 0.09 1.49 0.31 -1.26 -4.67 118.33 109.93 2jbk n VAL 382 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 2jbk n VAL 382 Cb 0.58 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.41 2jbk n VAL 382 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2jbk h PHE 383 N 0.00 0.42 -2.96 3.52 0.04 -1.83 -2.68 116.94 113.45 2jbk h PHE 383 Ca 0.00 -0.28 -0.23 0.00 2.80 0.00 0.00 57.97 60.25 2jbk h PHE 383 Cb 0.00 -0.03 0.04 0.00 2.20 0.00 0.00 35.95 38.17 2jbk h PHE 383 CO 0.00 1.18 -0.36 0.41 -0.60 0.00 0.00 178.31 178.95 2jbk n GLY 384 N 1.33 0.01 0.26 -1.45 0.00 -1.20 -4.64 105.19 99.51 2jbk n GLY 384 Ca -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 2jbk n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jbk h GLY 385 N -0.94 1.01 0.00 -0.02 0.00 -1.78 -2.22 103.07 99.12 2jbk h GLY 385 Ca -0.31 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2jbk h GLY 385 CO 0.33 0.11 -0.06 -2.22 0.00 0.00 0.00 176.54 174.70 2jbk h ILE 386 N 0.65 0.00 -3.56 2.60 2.04 -1.83 -3.14 117.51 114.27 2jbk h ILE 386 Ca 0.32 -0.29 -0.71 0.00 1.00 0.00 0.00 64.86 65.18 2jbk h ILE 386 Cb 0.26 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.10 2jbk h ILE 386 CO -0.22 0.00 -0.50 -0.62 0.00 0.00 0.00 178.15 176.82 2jbk s ASP 387 N -3.92 5.80 -0.01 1.72 2.15 -1.18 -1.58 116.67 119.66 2jbk s ASP 387 Ca -0.02 -1.01 0.18 0.00 0.43 0.00 0.00 52.55 52.14 2jbk s ASP 387 Cb 0.00 -2.05 -0.22 0.00 -0.30 0.00 0.00 42.92 40.36 2jbk s ASP 387 CO 0.03 -0.41 0.71 -0.81 -0.17 0.00 0.00 175.17 174.52 2jbk n PRO 388 N 5.02 0.86 0.18 4.34 -0.04 -1.23 -4.41 135.00 139.72 2jbk n PRO 388 Ca -0.12 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2jbk n PRO 388 Cb 0.46 -1.38 0.63 0.00 -0.04 0.00 0.00 33.50 33.17 2jbk n PRO 388 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jbk h GLN 389 N 0.00 0.00 0.00 0.54 1.08 -1.25 0.27 115.11 115.74 2jbk h GLN 389 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2jbk h GLN 389 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2jbk h GLN 389 CO 0.00 0.00 -0.49 0.66 -0.95 0.00 0.00 178.83 178.05 2jbk h SER 390 N 0.00 0.00 0.17 1.46 4.64 -1.23 -1.16 113.55 117.43 2jbk h SER 390 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jbk h SER 390 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2jbk h SER 390 CO 0.00 0.49 -0.08 1.23 -0.87 0.00 0.00 176.83 177.59 2jbk h GLY 391 N 2.15 -0.24 -0.89 -0.77 0.00 -0.52 -3.21 103.07 99.58 2jbk h GLY 391 Ca -0.00 0.09 0.18 0.00 0.00 0.00 0.00 47.33 47.60 2jbk h GLY 391 CO 0.06 -0.09 -0.26 0.00 0.00 0.00 0.00 176.54 176.25 2jbk h ALA 392 N -0.61 0.54 -0.66 3.60 0.00 -1.52 0.23 119.26 120.84 2jbk h ALA 392 Ca -0.02 0.35 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2jbk h ALA 392 Cb 0.44 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2jbk h ALA 392 CO 0.04 -0.43 0.37 0.00 0.00 0.00 0.00 179.25 179.23 2jbk h ALA 393 N 1.84 0.89 -0.49 0.00 0.00 -1.34 -0.33 119.26 119.84 2jbk h ALA 393 Ca 0.43 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 2jbk h ALA 393 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jbk h ALA 393 CO -0.97 0.04 0.14 0.28 0.00 0.00 0.00 179.25 178.74 2jbk h VAL 394 N 0.68 1.23 -0.20 0.00 2.07 -0.66 -2.04 116.25 117.33 2jbk h VAL 394 Ca 0.30 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.07 2jbk h VAL 394 Cb 0.19 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2jbk h VAL 394 CO -0.18 0.29 -0.12 0.58 0.02 0.00 0.00 177.57 178.16 2jbk h VAL 395 N 0.66 0.64 -0.54 2.57 2.07 -0.03 -0.02 116.25 121.61 2jbk h VAL 395 Ca 0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 2jbk h VAL 395 Cb 0.30 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2jbk h VAL 395 CO -0.00 0.00 0.07 -0.74 0.02 0.00 0.00 177.57 176.91 2jbk h HIS 396 N -0.11 0.09 -0.28 1.57 6.17 -0.58 0.38 115.15 122.39 2jbk h HIS 396 Ca 0.11 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.17 2jbk h HIS 396 Cb 0.28 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 2jbk h HIS 396 CO -0.27 -0.07 -0.05 1.49 0.71 0.00 0.00 177.93 179.74 2jbk h GLU 397 N 0.19 0.54 -0.52 5.26 4.57 -0.90 -1.73 114.58 121.98 2jbk h GLU 397 Ca 0.28 -0.20 0.10 0.00 -1.18 0.00 0.00 59.36 58.37 2jbk h GLU 397 Cb 0.41 -0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.87 2jbk h GLU 397 CO -0.40 0.73 -0.14 0.82 -1.18 0.00 0.00 179.01 178.83 2jbk h ILE 398 N 0.30 0.46 0.76 2.32 2.04 0.33 -0.32 117.51 123.40 2jbk h ILE 398 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2jbk h ILE 398 Cb 0.52 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jbk h ILE 398 CO 0.02 0.00 -0.45 0.58 0.00 0.00 0.00 178.15 178.30 2jbk h VAL 399 N -0.02 0.09 -0.76 1.67 2.07 -0.08 -1.37 116.25 117.85 2jbk h VAL 399 Ca 0.25 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.94 2jbk h VAL 399 Cb 0.40 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.12 2jbk h VAL 399 CO -0.54 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 176.94 2jbk h ARG 400 N -1.13 0.09 -0.61 1.57 2.43 -1.16 0.92 114.38 116.48 2jbk h ARG 400 Ca -0.10 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2jbk h ARG 400 Cb 0.90 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2jbk h ARG 400 CO 0.11 0.06 0.36 1.03 -1.51 0.00 0.00 179.97 180.01 2jbk h SER 401 N 0.09 0.56 0.61 -3.80 0.87 -0.75 0.44 113.55 111.58 2jbk h SER 401 Ca 0.41 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 2jbk h SER 401 Cb 0.73 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2jbk h SER 401 CO -0.69 0.38 -0.29 -0.26 -0.53 0.00 0.00 176.83 175.44 2jbk h PHE 402 N 0.69 -0.76 -0.49 2.24 0.04 0.20 -2.23 116.94 116.64 2jbk h PHE 402 Ca 0.26 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.15 2jbk h PHE 402 Cb 0.08 0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2jbk h PHE 402 CO -0.07 -0.45 0.63 0.78 -0.60 0.00 0.00 178.31 178.60 2jbk h GLY 403 N -0.88 0.00 0.55 -1.45 0.00 -0.74 0.18 103.07 100.73 2jbk h GLY 403 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2jbk h GLY 403 CO 0.14 0.00 -0.21 -0.84 0.00 0.00 0.00 176.54 175.63 2jbk h THR 404 N 0.00 0.29 -0.66 4.70 2.02 -0.30 -1.66 112.91 117.30 2jbk h THR 404 Ca 0.23 -0.59 0.09 0.00 0.77 0.00 0.00 66.41 66.92 2jbk h THR 404 Cb 1.49 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2jbk h THR 404 CO -0.00 0.06 0.44 -0.07 0.37 0.00 0.00 175.52 176.32 2jbk h LEU 405 N -1.05 0.47 0.59 2.58 3.38 -0.81 -0.54 115.31 119.93 2jbk h LEU 405 Ca -0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2jbk h LEU 405 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jbk h LEU 405 CO 0.10 0.28 -0.30 0.50 0.09 0.00 0.00 178.44 179.12 2jbk h LYS 406 N 0.52 -0.78 -0.84 1.13 3.11 -0.65 -0.04 116.57 119.02 2jbk h LYS 406 Ca 0.30 0.05 0.21 0.00 -2.81 0.00 0.00 60.65 58.41 2jbk h LYS 406 Cb 0.49 0.18 -0.14 0.00 -1.00 0.00 0.00 32.23 31.75 2jbk h LYS 406 CO -0.10 -0.52 0.10 0.87 -2.81 0.00 0.00 179.45 176.99 2jbk h LYS 407 N -0.81 0.12 0.00 1.90 1.57 -0.61 1.16 116.57 119.91 2jbk h LYS 407 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2jbk h LYS 407 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2jbk h LYS 407 CO 0.12 0.08 0.00 0.39 -0.57 0.00 0.00 179.45 179.47 2jbk n GLU 408 N -5.32 0.08 -0.20 3.15 4.71 -0.28 -4.76 120.64 118.02 2jbk n GLU 408 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 2jbk n GLU 408 Cb 0.60 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 2jbk n GLU 408 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jbk n GLY 409 N -0.81 0.77 3.90 0.62 0.00 0.39 -5.06 105.19 105.00 2jbk n GLY 409 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2jbk n GLY 409 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2jbk s TRP 410 N -2.17 3.51 -0.04 1.61 -0.00 -0.13 -4.99 118.94 116.73 2jbk s TRP 410 Ca 0.00 0.80 -0.11 0.00 -0.00 0.00 0.00 56.10 56.79 2jbk s TRP 410 Cb 0.00 -2.26 0.02 0.00 -0.00 0.00 0.00 33.47 31.23 2jbk s TRP 410 CO 0.00 -0.11 0.25 1.03 -0.00 0.00 0.00 176.95 178.13 2jbk s ARG 411 N -4.22 0.49 0.55 5.86 0.52 -1.26 -3.91 118.95 116.98 2jbk s ARG 411 Ca 0.47 -0.04 -0.17 0.00 -0.52 0.00 0.00 55.73 55.47 2jbk s ARG 411 Cb -0.10 0.22 -0.06 0.00 0.52 0.00 0.00 34.95 35.53 2jbk s ARG 411 CO 0.37 -0.11 1.03 -2.14 0.02 0.00 0.00 175.30 174.47 2jbk s PRO 412 N -0.81 3.63 0.23 3.54 0.02 -1.26 -4.84 135.00 135.50 2jbk s PRO 412 Ca -0.09 1.14 -0.08 0.00 0.02 0.00 0.00 61.00 61.99 2jbk s PRO 412 Cb -0.05 -2.08 0.24 0.00 0.02 0.00 0.00 34.50 32.63 2jbk s PRO 412 CO 0.02 -0.55 1.88 -0.09 -0.33 0.00 0.00 177.00 177.93 2jbk h ARG 413 N 0.81 1.04 -6.13 5.54 2.43 -1.79 -1.44 114.38 114.84 2jbk h ARG 413 Ca -0.47 -0.06 -0.50 0.00 -0.81 0.00 0.00 59.98 58.13 2jbk h ARG 413 Cb 1.21 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 2jbk h ARG 413 CO 0.59 0.69 -0.40 1.03 -1.51 0.00 0.00 179.97 180.38 2jbk s ARG 414 N -6.11 2.49 -0.01 0.20 0.52 0.23 -0.02 118.95 116.25 2jbk s ARG 414 Ca -0.13 -1.58 -0.29 0.00 -0.52 0.00 0.00 55.73 53.21 2jbk s ARG 414 Cb 0.17 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 2jbk s ARG 414 CO 0.79 -0.18 0.93 0.99 0.02 0.00 0.00 175.30 177.86 2jbk s THR 415 N -2.49 4.89 -0.05 0.02 2.01 -0.03 -3.59 115.64 116.39 2jbk s THR 415 Ca 0.47 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 64.41 2jbk s THR 415 Cb -0.02 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2jbk s THR 415 CO 0.27 0.18 0.07 -0.63 -0.69 0.00 0.00 174.62 173.82 2jbk s ILE 416 N 0.94 4.78 0.04 1.82 1.01 -0.09 -0.69 121.20 129.01 2jbk s ILE 416 Ca 0.50 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 61.01 2jbk s ILE 416 Cb -0.21 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2jbk s ILE 416 CO 0.26 0.49 -0.25 -0.76 0.00 0.00 0.00 174.94 174.68 2jbk s LEU 417 N -1.33 2.15 -0.13 2.97 1.43 0.18 -1.05 118.68 122.90 2jbk s LEU 417 Ca 0.18 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jbk s LEU 417 Cb -0.12 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2jbk s LEU 417 CO 0.08 0.25 -0.03 -0.36 0.23 0.00 0.00 176.35 176.52 2jbk s PHE 418 N -0.77 1.24 -0.13 0.29 0.08 -0.18 -1.16 117.98 117.35 2jbk s PHE 418 Ca 0.11 -0.72 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 2jbk s PHE 418 Cb -0.10 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 2jbk s PHE 418 CO 0.02 -0.51 -0.12 0.00 -0.10 0.00 0.00 175.22 174.50 2jbk s ALA 419 N 1.79 2.67 -0.41 5.36 0.00 -1.01 0.10 121.76 130.26 2jbk s ALA 419 Ca 0.02 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 2jbk s ALA 419 Cb -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2jbk s ALA 419 CO -0.07 0.26 0.57 0.45 0.00 0.00 0.00 175.76 176.96 2jbk s SER 420 N 0.31 6.30 0.46 0.00 0.15 0.37 -2.48 113.70 118.81 2jbk s SER 420 Ca -0.10 -0.29 -0.13 0.00 0.70 0.00 0.00 55.95 56.13 2jbk s SER 420 Cb -0.16 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.80 2jbk s SER 420 CO 0.05 -0.65 0.87 0.26 1.20 0.00 0.00 173.24 174.98 2jbk s TRP 421 N 2.56 3.46 0.23 3.44 0.23 0.17 -0.90 118.94 128.14 2jbk s TRP 421 Ca 0.20 1.24 0.08 0.00 -2.03 0.00 0.00 56.10 55.59 2jbk s TRP 421 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 33.47 30.70 2jbk s TRP 421 CO 0.16 -0.23 0.02 0.34 0.96 0.00 0.00 176.95 178.20 2jbk s ASP 422 N -3.12 4.74 -1.48 2.95 -1.08 -1.26 -0.13 116.67 117.28 2jbk s ASP 422 Ca 0.55 -0.51 -0.08 0.00 -0.52 0.00 0.00 52.55 51.99 2jbk s ASP 422 Cb -0.10 -0.97 0.06 0.00 -1.46 0.00 0.00 42.92 40.45 2jbk s ASP 422 CO 0.31 0.03 0.74 0.00 0.52 0.00 0.00 175.17 176.77 2jbk n ALA 423 N -0.64 -1.64 -0.07 3.66 0.00 -1.26 -1.03 120.51 119.53 2jbk n ALA 423 Ca -0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2jbk n ALA 423 Cb 0.57 -2.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 2jbk n ALA 423 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jbk h GLU 424 N -1.87 0.43 -0.01 0.00 4.22 -1.88 -2.90 114.58 112.56 2jbk h GLU 424 Ca -0.60 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 58.64 2jbk h GLU 424 Cb 1.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2jbk h GLU 424 CO 0.65 0.74 0.03 0.93 -2.18 0.00 0.00 179.01 179.18 2jbk h GLU 425 N 0.12 0.00 -0.63 1.92 4.39 -1.90 -1.54 114.58 116.93 2jbk h GLU 425 Ca 0.04 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2jbk h GLU 425 Cb 0.62 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 2jbk h GLU 425 CO 0.03 0.00 0.09 1.19 -1.16 0.00 0.00 179.01 179.17 2jbk n PHE 426 N -3.30 2.21 0.00 4.33 3.72 -1.20 -4.17 117.46 119.06 2jbk n PHE 426 Ca -0.03 -0.89 0.00 0.00 -0.05 0.00 0.00 57.45 56.48 2jbk n PHE 426 Cb 0.11 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 2jbk n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jbk n GLY 427 N 0.34 2.00 2.33 1.37 0.00 -0.72 -4.61 105.19 105.90 2jbk n GLY 427 Ca 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 2jbk n GLY 427 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jbk n LEU 428 N 0.00 -1.26 -0.27 0.99 4.77 -0.66 -4.59 117.00 115.97 2jbk n LEU 428 Ca 0.00 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2jbk n LEU 428 Cb 0.00 -2.05 0.06 0.00 -2.33 0.00 0.00 43.42 39.10 2jbk n LEU 428 CO 0.00 -0.45 1.13 -0.07 -1.33 0.00 0.00 177.39 176.67 2jbk h LEU 429 N 0.00 0.90 0.74 2.23 3.38 -1.75 -2.92 115.31 117.89 2jbk h LEU 429 Ca -0.30 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2jbk h LEU 429 Cb 1.04 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2jbk h LEU 429 CO 0.39 0.72 -0.36 1.23 0.09 0.00 0.00 178.44 180.51 2jbk h GLY 430 N 1.01 -1.04 0.65 0.83 0.00 -1.15 -2.62 103.07 100.75 2jbk h GLY 430 Ca 0.26 0.38 0.11 0.00 0.00 0.00 0.00 47.33 48.09 2jbk h GLY 430 CO -0.05 -0.38 0.58 1.48 0.00 0.00 0.00 176.54 178.18 2jbk h SER 431 N -1.11 0.77 0.46 0.19 4.64 -1.70 -3.21 113.55 113.58 2jbk h SER 431 Ca -0.10 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2jbk h SER 431 Cb 0.76 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2jbk h SER 431 CO 0.17 0.44 -0.22 0.74 -0.87 0.00 0.00 176.83 177.08 2jbk h THR 432 N 0.84 0.54 -0.84 2.95 2.02 -1.41 -1.76 112.91 115.26 2jbk h THR 432 Ca 0.43 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.53 2jbk h THR 432 Cb 0.50 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2jbk h THR 432 CO -0.19 0.03 0.54 -0.33 0.37 0.00 0.00 175.52 175.94 2jbk h GLU 433 N -0.72 0.74 -0.63 6.66 4.39 -1.53 0.79 114.58 124.27 2jbk h GLU 433 Ca -0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2jbk h GLU 433 Cb 0.53 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2jbk h GLU 433 CO 0.10 0.49 0.26 2.35 -1.16 0.00 0.00 179.01 181.05 2jbk h TRP 434 N 0.76 0.95 -0.64 4.33 7.01 -1.53 -1.21 115.95 125.63 2jbk h TRP 434 Ca 0.39 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.26 2jbk h TRP 434 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 2jbk h TRP 434 CO -0.00 0.75 0.13 0.00 -2.79 0.00 0.00 178.44 176.52 2jbk h ALA 435 N 1.11 0.84 0.00 2.65 0.00 -0.02 -2.12 119.26 121.72 2jbk h ALA 435 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jbk h ALA 435 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jbk h ALA 435 CO -0.02 0.58 -0.10 0.93 0.00 0.00 0.00 179.25 180.64 2jbk h GLU 436 N 0.95 0.00 0.01 0.00 5.08 -0.61 0.28 114.58 120.30 2jbk h GLU 436 Ca 0.20 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 2jbk h GLU 436 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2jbk h GLU 436 CO 0.01 0.10 -1.09 1.49 -1.00 0.00 0.00 179.01 178.52 2jbk h GLU 437 N 0.00 0.03 -0.03 2.33 4.81 -0.76 -3.36 114.58 117.59 2jbk h GLU 437 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jbk h GLU 437 Cb 0.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jbk h GLU 437 CO 0.01 0.98 0.00 0.09 -0.73 0.00 0.00 179.01 179.37 2jbk n ASN 438 N -3.34 2.34 -0.32 1.04 3.02 -0.82 -4.78 115.26 112.40 2jbk n ASN 438 Ca -0.02 -2.59 0.10 0.00 -0.03 0.00 0.00 54.58 52.03 2jbk n ASN 438 Cb 0.96 -0.25 0.30 0.00 -0.61 0.00 0.00 39.78 40.18 2jbk n ASN 438 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2jbk h SER 439 N 0.22 0.81 -0.53 6.41 4.64 -0.61 0.14 113.55 124.63 2jbk h SER 439 Ca 0.00 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2jbk h SER 439 Cb 0.81 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2jbk h SER 439 CO 0.01 0.41 0.09 0.03 -0.87 0.00 0.00 176.83 176.50 2jbk h ARG 440 N 0.85 0.88 -0.20 4.77 3.08 -1.86 0.89 114.38 122.79 2jbk h ARG 440 Ca 0.48 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2jbk h ARG 440 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2jbk h ARG 440 CO -0.25 0.85 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.01 2jbk h LEU 441 N 0.76 0.52 -0.17 3.04 3.38 -1.17 -2.79 115.31 118.88 2jbk h LEU 441 Ca 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2jbk h LEU 441 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jbk h LEU 441 CO 0.01 0.88 -0.03 -0.07 0.09 0.00 0.00 178.44 179.32 2jbk h LEU 442 N 0.40 0.32 -0.27 1.67 3.38 -0.91 -2.69 115.31 117.21 2jbk h LEU 442 Ca 0.03 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jbk h LEU 442 Cb 0.90 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2jbk h LEU 442 CO 0.08 0.59 0.00 0.06 0.09 0.00 0.00 178.44 179.26 2jbk h GLN 443 N 0.04 0.00 -0.05 1.13 3.07 -0.82 0.11 115.11 118.59 2jbk h GLN 443 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2jbk h GLN 443 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 2jbk h GLN 443 CO 0.01 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.32 2jbk n GLU 444 N -3.03 1.83 0.00 0.06 -0.58 -1.06 -4.55 120.64 113.33 2jbk n GLU 444 Ca 0.03 -1.22 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 2jbk n GLU 444 Cb 0.48 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2jbk n GLU 444 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jbk n ARG 445 N 0.47 0.30 -2.56 3.49 1.74 -1.01 -5.03 116.66 114.06 2jbk n ARG 445 Ca 0.18 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 2jbk n ARG 445 Cb 0.41 -0.02 -0.02 0.00 -1.02 0.00 0.00 32.46 31.80 2jbk n ARG 445 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jbk s GLY 446 N 0.00 1.75 -0.16 -0.13 0.00 0.37 -0.91 107.32 108.25 2jbk s GLY 446 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.92 2jbk s GLY 446 CO 0.00 2.29 0.02 -2.08 0.00 0.00 0.00 173.10 173.32 2jbk h VAL 447 N 5.41 0.38 -2.68 1.40 2.07 -0.89 -3.46 116.25 118.49 2jbk h VAL 447 Ca -0.24 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 2jbk h VAL 447 Cb 1.09 0.87 -0.14 0.00 -1.52 0.00 0.00 31.29 31.59 2jbk h VAL 447 CO 0.96 0.13 0.23 0.00 0.02 0.00 0.00 177.57 178.91 2jbk s ALA 448 N -2.57 -1.66 -0.14 1.67 0.00 -1.23 -4.04 121.76 113.79 2jbk s ALA 448 Ca -0.18 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2jbk s ALA 448 Cb 0.03 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2jbk s ALA 448 CO 0.33 -0.66 -0.18 -0.47 0.00 0.00 0.00 175.76 174.78 2jbk s TYR 449 N -3.04 2.37 -0.14 0.00 5.04 -0.48 -1.47 117.35 119.62 2jbk s TYR 449 Ca -0.02 -1.23 -0.05 0.00 -2.44 0.00 0.00 57.07 53.33 2jbk s TYR 449 Cb -0.01 -1.67 -0.03 0.00 0.35 0.00 0.00 41.96 40.60 2jbk s TYR 449 CO -0.07 -0.61 0.01 0.42 -1.34 0.00 0.00 175.55 173.96 2jbk s ILE 450 N 1.07 4.37 0.33 3.14 -1.09 0.16 -1.56 121.20 127.62 2jbk s ILE 450 Ca -0.03 -0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.15 2jbk s ILE 450 Cb -0.14 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2jbk s ILE 450 CO -0.05 0.52 0.60 0.21 -1.23 0.00 0.00 174.94 174.99 2jbk s ASN 451 N -0.04 6.41 -0.39 3.58 2.47 -0.42 -1.69 114.94 124.86 2jbk s ASN 451 Ca 0.04 0.74 0.11 0.00 0.42 0.00 0.00 52.86 54.17 2jbk s ASN 451 Cb -0.13 -2.15 0.36 0.00 -1.45 0.00 0.00 41.25 37.88 2jbk s ASN 451 CO 0.02 -0.27 0.89 0.00 -3.72 0.00 0.00 177.10 174.02 2jbk n ALA 452 N -1.23 1.38 -1.00 1.71 0.00 0.16 -4.57 120.51 116.95 2jbk n ALA 452 Ca -0.02 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2jbk n ALA 452 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2jbk n ALA 452 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jbk n ASP 453 N 0.21 0.00 -4.55 0.00 -0.08 -1.26 -4.00 116.55 106.87 2jbk n ASP 453 Ca 0.17 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 53.00 2jbk n ASP 453 Cb 0.70 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.15 2jbk n ASP 453 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jbk n SER 454 N 0.00 0.67 -0.05 1.67 7.64 -1.26 -3.49 113.62 118.80 2jbk n SER 454 Ca 0.00 1.12 -0.17 0.00 1.01 0.00 0.00 58.87 60.83 2jbk n SER 454 Cb 0.00 -1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 61.83 2jbk n SER 454 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jbk n SER 455 N 1.23 1.58 -4.23 6.43 7.64 -1.26 -4.76 113.62 120.25 2jbk n SER 455 Ca 0.11 0.13 -0.25 0.00 1.01 0.00 0.00 58.87 59.87 2jbk n SER 455 Cb 0.33 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.03 2jbk n SER 455 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2jbk s ILE 456 N -2.55 1.60 -0.21 0.44 -4.36 -1.26 0.18 121.20 115.04 2jbk s ILE 456 Ca -0.21 -1.14 0.22 0.00 -0.26 0.00 0.00 60.65 59.26 2jbk s ILE 456 Cb 0.07 -1.39 0.47 0.00 1.25 0.00 0.00 42.46 42.87 2jbk s ILE 456 CO 0.74 0.21 1.16 -1.84 0.24 0.00 0.00 174.94 175.45 2jbk n GLU 457 N 1.93 1.32 0.00 0.37 0.28 0.25 -4.88 120.64 119.91 2jbk n GLU 457 Ca -0.17 -2.94 0.00 0.00 -0.16 0.00 0.00 57.16 53.89 2jbk n GLU 457 Cb 0.53 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.35 2jbk n GLU 457 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jbk n GLY 458 N -0.46 1.70 1.59 -1.84 0.00 -1.25 -3.59 105.19 101.35 2jbk n GLY 458 Ca 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.61 2jbk n GLY 458 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jbk n ASN 459 N 0.00 0.66 -0.11 1.61 6.94 -1.09 -4.30 115.26 118.97 2jbk n ASN 459 Ca 0.00 -2.01 -0.18 0.00 -0.02 0.00 0.00 54.58 52.37 2jbk n ASN 459 Cb 0.00 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.13 2jbk n ASN 459 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jbk n TYR 460 N 0.24 0.00 -3.86 -2.53 9.36 -0.47 -4.99 117.16 114.91 2jbk n TYR 460 Ca -0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 2jbk n TYR 460 Cb 1.03 -0.86 -0.02 0.00 -0.63 0.00 0.00 39.34 38.86 2jbk n TYR 460 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2jbk s THR 461 N -2.44 0.00 0.71 2.97 -1.32 -1.17 -4.99 115.64 109.40 2jbk s THR 461 Ca -0.31 -1.00 -0.15 0.00 -1.21 0.00 0.00 61.69 59.02 2jbk s THR 461 Cb 0.09 -2.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.06 2jbk s THR 461 CO 0.49 0.00 1.20 -0.22 -2.21 0.00 0.00 174.62 173.88 2jbk s LEU 462 N -2.93 3.36 -0.12 9.08 2.96 -1.26 -0.08 118.68 129.68 2jbk s LEU 462 Ca 0.11 2.32 -0.04 0.00 -0.22 0.00 0.00 54.13 56.30 2jbk s LEU 462 Cb -0.06 -4.59 0.06 0.00 0.50 0.00 0.00 46.19 42.10 2jbk s LEU 462 CO 0.07 -2.13 0.19 -0.60 -1.32 0.00 0.00 176.35 172.57 2jbk s ARG 463 N -3.88 0.09 -0.06 1.98 3.52 0.28 -4.74 118.95 116.14 2jbk s ARG 463 Ca 0.74 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.91 2jbk s ARG 463 Cb -0.28 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.69 2jbk s ARG 463 CO 0.44 -0.37 -0.18 0.08 -0.81 0.00 0.00 175.30 174.45 2jbk s VAL 464 N 2.33 1.57 -0.04 7.11 1.01 -1.26 -1.73 120.40 129.39 2jbk s VAL 464 Ca 0.03 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2jbk s VAL 464 Cb -0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2jbk s VAL 464 CO -0.08 0.45 -0.24 -1.81 0.00 0.00 0.00 175.10 173.42 2jbk s ASP 465 N 0.23 3.16 0.23 3.32 1.01 -0.91 -1.58 116.67 122.13 2jbk s ASP 465 Ca -0.10 -0.46 -0.21 0.00 0.71 0.00 0.00 52.55 52.50 2jbk s ASP 465 Cb -0.14 -0.60 0.07 0.00 1.01 0.00 0.00 42.92 43.26 2jbk s ASP 465 CO 0.04 0.29 0.97 0.00 0.21 0.00 0.00 175.17 176.69 2jbk s THR 467 N -2.30 4.32 0.59 0.00 -1.32 -0.92 -4.69 115.64 111.33 2jbk s THR 467 Ca 0.20 1.68 0.32 0.00 -1.21 0.00 0.00 61.69 62.68 2jbk s THR 467 Cb -0.03 -4.03 0.46 0.00 -1.51 0.00 0.00 72.50 67.39 2jbk s THR 467 CO 0.06 0.27 1.58 -0.65 -2.21 0.00 0.00 174.62 173.67 2jbk h PRO 468 N 3.55 0.00 0.00 7.08 0.11 -1.93 -0.13 132.00 140.67 2jbk h PRO 468 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jbk h PRO 468 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jbk h PRO 468 CO 0.66 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.73 2jbk n LEU 469 N -3.58 0.00 -0.00 2.35 4.77 -1.26 -2.08 117.00 117.20 2jbk n LEU 469 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2jbk n LEU 469 Cb 1.31 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.40 2jbk n LEU 469 CO 0.30 0.00 0.02 0.23 -1.33 0.00 0.00 177.39 176.61 2jbk n MET 470 N -0.88 6.16 -0.25 3.23 2.81 -0.06 -3.13 117.12 125.00 2jbk n MET 470 Ca 0.11 -0.05 0.03 0.00 -1.81 0.00 0.00 57.70 55.98 2jbk n MET 470 Cb 0.05 -0.56 0.13 0.00 -0.71 0.00 0.00 33.22 32.13 2jbk n MET 470 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 2jbk h TYR 471 N 0.00 -0.17 -0.15 2.03 0.05 -1.53 0.47 116.97 117.68 2jbk h TYR 471 Ca 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2jbk h TYR 471 Cb 0.01 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2jbk h TYR 471 CO 0.00 -0.26 0.05 0.77 -1.05 0.00 0.00 178.16 177.66 2jbk h SER 472 N 0.06 0.22 -0.73 3.88 0.02 -1.85 -0.41 113.55 114.74 2jbk h SER 472 Ca 0.38 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2jbk h SER 472 Cb 0.65 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2jbk h SER 472 CO -0.68 0.36 0.48 0.25 -1.14 0.00 0.00 176.83 176.10 2jbk h LEU 473 N 0.06 0.81 -0.05 5.07 5.85 -1.63 -0.07 115.31 125.35 2jbk h LEU 473 Ca 0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2jbk h LEU 473 Cb 0.22 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jbk h LEU 473 CO -0.00 0.57 -0.14 0.58 -0.34 0.00 0.00 178.44 179.12 2jbk h VAL 474 N 0.95 1.45 -0.22 1.05 2.07 -0.42 -0.36 116.25 120.76 2jbk h VAL 474 Ca 0.28 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 66.33 2jbk h VAL 474 Cb -0.04 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 2jbk h VAL 474 CO -0.07 0.42 -0.33 0.45 0.02 0.00 0.00 177.57 178.06 2jbk h HIS 475 N -0.36 -0.91 -0.69 1.57 3.86 -0.93 -1.83 115.15 115.85 2jbk h HIS 475 Ca -0.00 0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.37 2jbk h HIS 475 Cb 0.75 0.43 -0.08 0.00 1.06 0.00 0.00 27.41 29.57 2jbk h HIS 475 CO 0.13 -0.40 0.27 -0.91 0.86 0.00 0.00 177.93 177.88 2jbk h ASN 476 N -0.35 0.25 -0.26 2.45 4.21 -0.97 -2.43 115.58 118.48 2jbk h ASN 476 Ca 0.12 0.10 -0.19 0.00 1.21 0.00 0.00 56.30 57.53 2jbk h ASN 476 Cb 0.54 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2jbk h ASN 476 CO -0.42 0.12 -0.60 0.25 -1.29 0.00 0.00 177.43 175.50 2jbk h LEU 477 N 0.43 0.98 -0.76 1.61 5.85 -0.90 -2.92 115.31 119.60 2jbk h LEU 477 Ca 0.37 -0.55 -0.13 0.00 0.84 0.00 0.00 57.88 58.41 2jbk h LEU 477 Cb 0.51 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2jbk h LEU 477 CO -0.36 1.35 -0.51 0.71 -0.34 0.00 0.00 178.44 179.29 2jbk h THR 478 N 0.65 1.34 -0.01 1.05 1.35 -1.23 -1.54 112.91 114.52 2jbk h THR 478 Ca 0.00 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 2jbk h THR 478 Cb 1.21 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2jbk h THR 478 CO 0.13 0.52 0.05 0.11 -0.25 0.00 0.00 175.52 176.08 2jbk h LYS 479 N 0.23 0.00 -0.57 4.72 1.57 -1.33 -1.07 116.57 120.12 2jbk h LYS 479 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jbk h LYS 479 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2jbk h LYS 479 CO 0.08 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.35 2jbk n GLU 480 N -3.26 4.65 -4.24 3.15 -0.58 -0.58 -4.83 120.64 114.96 2jbk n GLU 480 Ca -0.03 -3.12 -0.18 0.00 -0.42 0.00 0.00 57.16 53.41 2jbk n GLU 480 Cb 0.12 -2.20 -0.13 0.00 -0.57 0.00 0.00 31.44 28.66 2jbk n GLU 480 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jbk s LEU 481 N -2.65 2.20 -0.03 -4.62 1.43 -1.03 -5.04 118.68 108.95 2jbk s LEU 481 Ca 0.54 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2jbk s LEU 481 Cb 0.40 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 2jbk s LEU 481 CO 0.17 -0.04 1.05 -0.54 0.23 0.00 0.00 176.35 177.23 2jbk s LYS 482 N -1.31 4.47 0.46 1.70 1.02 -1.26 0.14 119.74 124.96 2jbk s LYS 482 Ca -0.01 1.50 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 2jbk s LYS 482 Cb -0.08 -3.48 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 2jbk s LYS 482 CO 0.01 -0.21 1.38 0.45 -0.92 0.00 0.00 175.35 176.07 2jbk s SER 483 N 1.10 5.84 -0.18 2.83 0.15 -1.01 -4.42 113.70 118.02 2jbk s SER 483 Ca 0.53 2.82 0.16 0.00 0.70 0.00 0.00 55.95 60.16 2jbk s SER 483 Cb -0.22 -2.65 0.48 0.00 -1.71 0.00 0.00 66.02 61.92 2jbk s SER 483 CO 0.25 -1.19 1.37 -0.81 1.20 0.00 0.00 173.24 174.06 2jbk n PRO 484 N -0.31 2.46 -2.39 5.44 -0.04 -1.26 -4.37 135.00 134.53 2jbk n PRO 484 Ca 0.06 -2.84 -0.42 0.00 -0.04 0.00 0.00 63.50 60.26 2jbk n PRO 484 Cb 0.43 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.08 2jbk n PRO 484 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jbk s ASP 485 N -2.20 7.08 -0.38 3.54 1.11 -1.26 -4.92 116.67 119.63 2jbk s ASP 485 Ca 0.41 2.11 -0.42 0.00 0.18 0.00 0.00 52.55 54.83 2jbk s ASP 485 Cb 0.34 -2.59 -0.17 0.00 1.07 0.00 0.00 42.92 41.57 2jbk s ASP 485 CO 0.06 -0.43 1.79 -0.62 1.18 0.00 0.00 175.17 177.15 2jbk n GLU 486 N 3.36 0.65 -0.28 8.23 4.71 -1.26 -1.11 120.64 134.95 2jbk n GLU 486 Ca 0.07 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 2jbk n GLU 486 Cb 0.45 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 2jbk n GLU 486 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jbk n GLY 487 N 4.74 0.69 0.00 0.62 0.00 -1.26 -4.88 105.19 105.10 2jbk n GLY 487 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2jbk n GLY 487 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jbk n PHE 488 N -2.00 0.00 -1.13 1.61 3.72 -0.27 -4.96 117.46 114.44 2jbk n PHE 488 Ca 0.00 -0.19 -0.43 0.00 -0.05 0.00 0.00 57.45 56.78 2jbk n PHE 488 Cb 0.00 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.47 2jbk n PHE 488 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jbk n GLU 489 N -0.19 0.00 0.00 -1.08 0.00 -1.15 0.16 120.64 118.38 2jbk n GLU 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2jbk n GLU 489 Cb 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.65 2jbk n GLU 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jbk n GLY 490 N 1.28 2.47 3.88 -1.84 0.00 -1.26 -5.04 105.19 104.69 2jbk n GLY 490 Ca 0.15 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2jbk n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbk s LYS 491 N 0.00 3.69 0.72 1.61 3.01 0.41 -5.00 119.74 124.17 2jbk s LYS 491 Ca 0.00 0.49 -0.14 0.00 -1.01 0.00 0.00 55.97 55.32 2jbk s LYS 491 Cb 0.00 -2.30 0.03 0.00 -1.01 0.00 0.00 37.83 34.56 2jbk s LYS 491 CO 0.00 -0.22 1.14 -1.54 0.51 0.00 0.00 175.35 175.23 2jbk s SER 492 N -3.65 4.59 0.38 2.83 1.04 -1.26 -2.40 113.70 115.22 2jbk s SER 492 Ca 0.52 2.09 0.07 0.00 0.48 0.00 0.00 55.95 59.10 2jbk s SER 492 Cb -0.10 -2.56 0.75 0.00 0.10 0.00 0.00 66.02 64.20 2jbk s SER 492 CO 0.40 -1.98 1.94 0.25 0.98 0.00 0.00 173.24 174.83 2jbk h LEU 493 N -0.38 0.39 -0.43 2.42 5.85 0.12 -1.06 115.31 122.22 2jbk h LEU 493 Ca -0.46 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.27 2jbk h LEU 493 Cb 1.26 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2jbk h LEU 493 CO 0.51 0.43 0.11 0.22 -0.34 0.00 0.00 178.44 179.38 2jbk h TYR 494 N 0.41 0.19 0.16 1.25 3.20 -1.43 -1.44 116.97 119.32 2jbk h TYR 494 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2jbk h TYR 494 Cb 0.23 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2jbk h TYR 494 CO 0.01 0.05 -0.27 0.93 -1.64 0.00 0.00 178.16 177.23 2jbk h GLU 495 N 0.26 -0.44 -1.01 1.82 3.07 -1.65 0.35 114.58 116.98 2jbk h GLU 495 Ca 0.21 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.15 2jbk h GLU 495 Cb 0.23 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 2jbk h GLU 495 CO -0.25 -0.30 0.66 0.66 -1.40 0.00 0.00 179.01 178.38 2jbk h SER 496 N -0.46 1.07 -0.16 1.42 4.64 -1.22 0.73 113.55 119.58 2jbk h SER 496 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 2jbk h SER 496 Cb 0.43 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jbk h SER 496 CO -0.10 0.70 -0.37 -0.25 -0.87 0.00 0.00 176.83 175.94 2jbk h TRP 497 N 1.22 0.67 -0.25 4.77 7.01 -1.19 -0.94 115.95 127.23 2jbk h TRP 497 Ca 0.42 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2jbk h TRP 497 Cb 0.11 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2jbk h TRP 497 CO -0.00 1.00 0.12 1.15 -2.79 0.00 0.00 178.44 177.92 2jbk h THR 498 N 0.16 1.14 -0.62 2.65 2.02 0.15 -2.75 112.91 115.65 2jbk h THR 498 Ca -0.00 -0.41 0.11 0.00 0.77 0.00 0.00 66.41 66.87 2jbk h THR 498 Cb 0.98 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.26 2jbk h THR 498 CO 0.08 0.14 0.19 0.11 0.37 0.00 0.00 175.52 176.41 2jbk h LYS 499 N 0.28 0.33 -0.00 6.66 6.56 -0.66 -3.17 116.57 126.57 2jbk h LYS 499 Ca 0.09 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jbk h LYS 499 Cb 0.12 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2jbk h LYS 499 CO -0.01 0.22 -0.12 1.63 -2.06 0.00 0.00 179.45 179.10 2jbk n LYS 500 N -5.06 0.45 -2.72 3.15 5.02 -0.38 -4.61 118.16 114.02 2jbk n LYS 500 Ca 0.09 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 2jbk n LYS 500 Cb 0.31 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.92 2jbk n LYS 500 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jbk n SER 501 N -1.16 -2.14 -4.85 4.39 2.88 -1.10 -5.04 113.62 106.60 2jbk n SER 501 Ca 0.12 -3.25 -0.35 0.00 -1.33 0.00 0.00 58.87 54.07 2jbk n SER 501 Cb 0.29 1.65 -0.06 0.00 -0.75 0.00 0.00 64.21 65.34 2jbk n SER 501 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jbk s PRO 502 N 0.23 3.94 0.29 -1.46 0.04 -1.25 -0.71 135.00 136.09 2jbk s PRO 502 Ca 0.21 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 2jbk s PRO 502 Cb 0.31 -2.88 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2jbk s PRO 502 CO -0.07 0.45 1.44 0.45 0.04 0.00 0.00 177.00 179.31 2jbk s SER 503 N -1.84 6.60 0.05 6.66 0.15 0.25 -4.55 113.70 121.02 2jbk s SER 503 Ca 0.39 2.77 -0.15 0.00 0.70 0.00 0.00 55.95 59.66 2jbk s SER 503 Cb -0.14 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.47 2jbk s SER 503 CO 0.19 -0.72 1.24 -0.65 1.20 0.00 0.00 173.24 174.50 2jbk h PRO 504 N 4.38 -0.25 0.00 5.44 0.11 -1.92 -2.81 132.00 136.95 2jbk h PRO 504 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jbk h PRO 504 Cb 1.22 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2jbk h PRO 504 CO 0.73 -0.17 0.44 -0.85 -0.21 0.00 0.00 178.00 177.95 2jbk n GLU 505 N -3.81 0.00 -0.59 1.05 0.00 -1.26 -4.88 120.64 111.15 2jbk n GLU 505 Ca -0.03 0.08 0.08 0.00 0.00 0.00 0.00 57.16 57.29 2jbk n GLU 505 Cb 0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 31.44 29.94 2jbk n GLU 505 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2jbk n PHE 506 N -0.94 -1.50 0.00 -1.84 3.01 -1.06 -5.06 117.46 110.07 2jbk n PHE 506 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 57.45 59.22 2jbk n PHE 506 Cb 0.44 -1.37 0.00 0.00 -0.01 0.00 0.00 39.48 38.55 2jbk n PHE 506 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jbk n SER 507 N -2.63 0.00 -2.04 4.37 7.64 -1.26 -4.60 113.62 115.10 2jbk n SER 507 Ca -0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2jbk n SER 507 Cb 0.27 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 2jbk n SER 507 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jbk n GLY 508 N 2.63 3.63 2.94 0.23 0.00 -1.26 -4.61 105.19 108.76 2jbk n GLY 508 Ca 0.00 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2jbk n GLY 508 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jbk s MET 509 N -0.76 1.40 0.49 1.61 1.00 -1.26 -5.03 119.30 116.75 2jbk s MET 509 Ca 0.44 -0.26 -0.23 0.00 0.00 0.00 0.00 55.69 55.64 2jbk s MET 509 Cb 0.27 -1.33 -0.06 0.00 0.00 0.00 0.00 34.83 33.70 2jbk s MET 509 CO -0.07 -0.12 1.29 -1.25 0.00 0.00 0.00 175.02 174.87 2jbk s PRO 510 N 1.17 3.50 0.36 2.03 0.04 -1.26 0.86 135.00 141.69 2jbk s PRO 510 Ca -0.06 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2jbk s PRO 510 Cb -0.14 -2.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 2jbk s PRO 510 CO -0.02 -0.85 1.11 0.50 0.04 0.00 0.00 177.00 177.77 2jbk s ARG 511 N -2.71 4.30 -0.01 4.56 3.52 0.11 -4.34 118.95 124.38 2jbk s ARG 511 Ca 0.66 1.72 0.03 0.00 -0.13 0.00 0.00 55.73 58.01 2jbk s ARG 511 Cb -0.36 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2jbk s ARG 511 CO 0.44 -0.07 -0.11 0.42 -0.81 0.00 0.00 175.30 175.17 2jbk s ILE 512 N -1.40 0.87 0.28 4.11 1.01 -1.26 -4.67 121.20 120.13 2jbk s ILE 512 Ca 0.53 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2jbk s ILE 512 Cb -0.28 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 2jbk s ILE 512 CO 0.36 0.25 0.37 -0.44 0.00 0.00 0.00 174.94 175.48 2jbk s SER 513 N -0.19 6.06 1.26 3.58 0.01 -0.61 -4.96 113.70 118.85 2jbk s SER 513 Ca 0.03 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.05 2jbk s SER 513 Cb -0.05 -1.56 0.25 0.00 0.21 0.00 0.00 66.02 64.86 2jbk s SER 513 CO -0.00 -0.19 0.72 0.29 0.41 0.00 0.00 173.24 174.46 2jbk n LYS 514 N -1.45 -3.25 -4.53 12.44 5.02 -1.26 -2.19 118.16 122.94 2jbk n LYS 514 Ca -0.06 -1.17 -0.29 0.00 -2.02 0.00 0.00 58.31 54.77 2jbk n LYS 514 Cb 0.58 -1.27 -0.17 0.00 -0.02 0.00 0.00 35.03 34.15 2jbk n LYS 514 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jbk s LEU 515 N 0.00 1.77 0.00 -0.35 1.43 -1.26 -4.46 118.68 115.81 2jbk s LEU 515 Ca 0.50 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2jbk s LEU 515 Cb -0.07 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2jbk s LEU 515 CO 0.40 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.62 2jbk n GLY 516 N 4.12 0.95 0.00 -3.19 0.00 -1.26 -4.29 105.19 101.52 2jbk n GLY 516 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jbk n GLY 516 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jbk n SER 517 N 0.00 0.53 0.00 1.61 2.88 -0.09 -4.49 113.62 114.06 2jbk n SER 517 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jbk n SER 517 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jbk n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jbk n GLY 518 N 2.49 1.04 3.98 0.46 0.00 -1.26 -4.39 105.19 107.51 2jbk n GLY 518 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2jbk n GLY 518 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jbk s ASN 519 N -2.05 0.01 0.00 1.61 3.84 -1.26 -5.05 114.94 112.04 2jbk s ASN 519 Ca 0.00 -0.26 0.18 0.00 0.21 0.00 0.00 52.86 52.99 2jbk s ASN 519 Cb 0.00 0.19 0.79 0.00 -0.55 0.00 0.00 41.25 41.68 2jbk s ASN 519 CO 0.00 -0.38 1.57 0.47 -2.79 0.00 0.00 177.10 175.97 2jbk n ASP 520 N -1.10 0.00 0.01 -4.21 8.00 -1.26 -1.98 116.55 116.00 2jbk n ASP 520 Ca 0.03 0.41 0.10 0.00 0.71 0.00 0.00 54.79 56.05 2jbk n ASP 520 Cb 0.59 -0.46 0.45 0.00 -0.02 0.00 0.00 41.12 41.68 2jbk n ASP 520 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2jbk n PHE 521 N -1.46 0.05 -0.17 1.24 1.16 -1.26 -4.17 117.46 112.84 2jbk n PHE 521 Ca 0.05 0.02 -0.08 0.00 -1.87 0.00 0.00 57.45 55.57 2jbk n PHE 521 Cb 0.20 -0.53 0.01 0.00 -1.61 0.00 0.00 39.48 37.55 2jbk n PHE 521 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2jbk h GLU 522 N 0.00 0.70 -0.53 3.97 4.81 -1.74 -2.20 114.58 119.59 2jbk h GLU 522 Ca 0.00 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2jbk h GLU 522 Cb 0.37 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2jbk h GLU 522 CO 0.00 0.55 0.33 -0.24 -0.73 0.00 0.00 179.01 178.91 2jbk h VAL 523 N 0.66 1.07 -0.21 0.32 3.04 -1.86 -1.28 116.25 117.99 2jbk h VAL 523 Ca 0.18 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 2jbk h VAL 523 Cb 0.05 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 2jbk h VAL 523 CO -0.03 0.12 -0.15 -0.26 -1.01 0.00 0.00 177.57 176.24 2jbk h PHE 524 N 0.65 0.37 0.00 3.17 0.04 -1.67 -1.23 116.94 118.27 2jbk h PHE 524 Ca 0.21 -0.05 -0.33 0.00 2.80 0.00 0.00 57.97 60.60 2jbk h PHE 524 Cb 0.01 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 2jbk h PHE 524 CO -0.06 0.49 -1.92 0.34 -0.60 0.00 0.00 178.31 176.56 2jbk n PHE 525 N -4.22 0.35 0.08 -0.55 7.35 -1.05 -0.88 117.46 118.54 2jbk n PHE 525 Ca -0.00 0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 2jbk n PHE 525 Cb 0.31 -0.97 0.01 0.00 0.35 0.00 0.00 39.48 39.18 2jbk n PHE 525 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2jbk h GLN 526 N -1.00 0.25 0.01 -4.13 1.08 -1.29 -2.74 115.11 107.29 2jbk h GLN 526 Ca -0.50 -0.24 -0.42 0.00 -1.45 0.00 0.00 58.65 56.04 2jbk h GLN 526 Cb 1.41 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.84 2jbk h GLN 526 CO -0.30 0.94 -2.38 -2.13 -0.95 0.00 0.00 178.83 174.01 2jbk n ARG 527 N -3.72 0.62 0.01 1.46 0.63 -0.53 -0.76 116.66 114.37 2jbk n ARG 527 Ca -0.04 0.25 -0.03 0.00 -0.92 0.00 0.00 57.85 57.11 2jbk n ARG 527 Cb 0.77 -1.54 -0.10 0.00 0.45 0.00 0.00 32.46 32.04 2jbk n ARG 527 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2jbk h LEU 528 N -0.61 0.00 0.00 6.15 3.38 -1.54 -3.44 115.31 119.25 2jbk h LEU 528 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2jbk h LEU 528 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2jbk h LEU 528 CO -0.27 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2jbk n GLY 529 N 1.45 0.50 3.69 0.83 0.00 -1.03 -4.83 105.19 105.79 2jbk n GLY 529 Ca -0.12 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2jbk n GLY 529 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jbk s ILE 530 N -2.00 4.87 -0.17 -0.61 1.01 -0.06 -2.30 121.20 121.95 2jbk s ILE 530 Ca 0.00 1.79 -0.35 0.00 0.00 0.00 0.00 60.65 62.08 2jbk s ILE 530 Cb 0.00 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 2jbk s ILE 530 CO 0.00 0.07 1.90 0.00 0.00 0.00 0.00 174.94 176.91 2jbk n ALA 531 N 4.80 0.71 -2.52 9.38 0.00 -1.26 -4.05 120.51 127.56 2jbk n ALA 531 Ca 0.05 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 2jbk n ALA 531 Cb 0.49 -2.46 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 2jbk n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jbk s SER 532 N 4.52 3.96 0.21 0.00 0.01 -1.26 -1.38 113.70 119.76 2jbk s SER 532 Ca 0.96 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 57.31 2jbk s SER 532 Cb -0.78 -0.55 0.05 0.00 0.21 0.00 0.00 66.02 64.94 2jbk s SER 532 CO 0.54 0.11 0.68 -0.83 0.41 0.00 0.00 173.24 174.14 2jbk s GLY 533 N -2.80 -0.36 0.07 3.44 0.00 -0.60 -2.17 107.32 104.89 2jbk s GLY 533 Ca 0.24 0.13 -0.09 0.00 0.00 0.00 0.00 44.72 45.00 2jbk s GLY 533 CO 0.13 0.05 0.20 1.09 0.00 0.00 0.00 173.10 174.57 2jbk s ARG 534 N -3.79 0.78 -0.10 2.90 1.70 -0.01 -1.30 118.95 119.14 2jbk s ARG 534 Ca 0.06 -0.80 -0.11 0.00 -0.47 0.00 0.00 55.73 54.41 2jbk s ARG 534 Cb -0.03 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2jbk s ARG 534 CO -0.03 -0.24 0.30 0.00 -1.08 0.00 0.00 175.30 174.25 2jbk s ALA 535 N -3.26 -0.75 0.12 7.88 0.00 -1.26 -2.14 121.76 122.35 2jbk s ALA 535 Ca 0.00 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 2jbk s ALA 535 Cb 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2jbk s ALA 535 CO -0.08 -0.17 0.82 -0.98 0.00 0.00 0.00 175.76 175.36 2jbk s ARG 536 N -0.12 1.19 0.11 0.00 3.03 -0.70 -4.85 118.95 117.61 2jbk s ARG 536 Ca -0.03 -0.56 -0.22 0.00 2.03 0.00 0.00 55.73 56.96 2jbk s ARG 536 Cb -0.03 0.47 -0.07 0.00 -1.03 0.00 0.00 34.95 34.29 2jbk s ARG 536 CO 0.01 -0.53 0.67 0.71 -1.13 0.00 0.00 175.30 175.03 2jbk s TYR 537 N -3.43 3.85 0.38 5.89 1.51 0.49 -0.55 117.35 125.48 2jbk s TYR 537 Ca 0.07 1.44 0.05 0.00 -1.01 0.00 0.00 57.07 57.63 2jbk s TYR 537 Cb -0.02 -2.64 -0.07 0.00 -0.11 0.00 0.00 41.96 39.12 2jbk s TYR 537 CO -0.04 0.53 0.03 -0.08 -1.11 0.00 0.00 175.55 174.88 2jbk s THR 538 N -1.04 1.62 0.46 -0.71 -1.32 0.88 0.84 115.64 116.37 2jbk s THR 538 Ca 0.32 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.68 2jbk s THR 538 Cb -0.21 -2.88 -0.07 0.00 -1.51 0.00 0.00 72.50 67.83 2jbk s THR 538 CO 0.22 0.00 0.87 -1.59 -2.21 0.00 0.00 174.62 171.91 2jbk s LYS 539 N -3.79 3.82 0.00 7.08 -2.85 -1.24 -1.37 119.74 121.40 2jbk s LYS 539 Ca 0.35 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.97 2jbk s LYS 539 Cb 0.09 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 2jbk s LYS 539 CO 0.17 -0.16 0.00 -1.71 0.10 0.00 0.00 175.35 173.75 2jbk n ASN 540 N -1.52 0.00 0.00 0.03 2.85 -1.26 -4.86 115.26 110.50 2jbk n ASN 540 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2jbk n ASN 540 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 2jbk n ASN 540 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2jbk n PHE 546 N 0.06 0.00 0.24 1.20 0.99 -1.26 -5.18 117.46 113.51 2jbk n PHE 546 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.52 2jbk n PHE 546 Cb 0.00 -0.11 0.58 0.00 -1.00 0.00 0.00 39.48 38.95 2jbk n PHE 546 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2jbk h SER 547 N 0.00 0.00 -2.72 4.37 0.02 -1.90 -3.41 113.55 109.92 2jbk h SER 547 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jbk h SER 547 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jbk h SER 547 CO 0.00 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 2jbk n GLY 548 N -1.31 -1.79 3.87 -3.77 0.00 -1.26 -4.62 105.19 96.31 2jbk n GLY 548 Ca -0.03 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 2jbk n GLY 548 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jbk s TYR 549 N 0.00 3.15 0.16 1.61 -0.85 -1.26 -5.03 117.35 115.13 2jbk s TYR 549 Ca 0.00 -0.13 -0.15 0.00 -0.52 0.00 0.00 57.07 56.27 2jbk s TYR 549 Cb 0.00 -1.55 0.07 0.00 0.38 0.00 0.00 41.96 40.86 2jbk s TYR 549 CO 0.00 0.41 1.78 -1.35 -1.52 0.00 0.00 175.55 174.87 2jbk h PRO 550 N 1.34 0.42 -0.82 -3.49 0.11 -1.83 -2.64 132.00 125.09 2jbk h PRO 550 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jbk h PRO 550 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jbk h PRO 550 CO 0.60 0.28 0.01 1.28 -0.21 0.00 0.00 178.00 179.95 2jbk n LEU 551 N -4.91 3.19 -4.67 2.35 4.77 -1.26 -4.66 117.00 111.80 2jbk n LEU 551 Ca 0.02 -1.61 -0.42 0.00 -0.03 0.00 0.00 56.01 53.96 2jbk n LEU 551 Cb 0.10 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 2jbk n LEU 551 CO 0.30 0.43 1.54 -0.47 -1.33 0.00 0.00 177.39 177.86 2jbk s TYR 552 N -1.79 1.65 -1.12 -1.77 5.04 -1.00 -3.01 117.35 115.35 2jbk s TYR 552 Ca 0.25 -0.27 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 2jbk s TYR 552 Cb 0.19 -4.21 0.01 0.00 0.35 0.00 0.00 41.96 38.29 2jbk s TYR 552 CO 0.07 -5.26 0.98 0.72 -1.34 0.00 0.00 175.55 170.72 2jbk n HIS 553 N 6.76 -2.36 -4.26 4.97 8.25 -1.26 -4.61 115.22 122.70 2jbk n HIS 553 Ca 0.19 0.84 -0.14 0.00 -0.26 0.00 0.00 57.72 58.35 2jbk n HIS 553 Cb 0.40 -4.38 -0.10 0.00 1.12 0.00 0.00 29.99 27.03 2jbk n HIS 553 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jbk s SER 554 N -3.33 0.93 0.61 0.41 1.04 -1.16 -0.63 113.70 111.56 2jbk s SER 554 Ca 0.45 -1.32 0.32 0.00 0.48 0.00 0.00 55.95 55.88 2jbk s SER 554 Cb -0.20 0.20 1.87 0.00 0.10 0.00 0.00 66.02 67.99 2jbk s SER 554 CO 0.61 -0.71 2.20 1.62 0.98 0.00 0.00 173.24 177.94 2jbk h VAL 555 N 2.54 0.38 0.00 5.02 3.04 -1.86 -2.44 116.25 122.92 2jbk h VAL 555 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2jbk h VAL 555 Cb 1.23 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2jbk h VAL 555 CO 0.60 0.00 0.00 1.88 -1.01 0.00 0.00 177.57 179.04 2jbk h TYR 556 N 0.00 0.00 -1.01 3.17 0.05 -1.94 -3.42 116.97 113.82 2jbk h TYR 556 Ca 0.03 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.57 2jbk h TYR 556 Cb 0.22 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.96 2jbk h TYR 556 CO 0.00 0.00 0.86 0.39 -1.05 0.00 0.00 178.16 178.36 2jbk n GLU 557 N -2.60 0.81 -4.24 4.88 1.02 -0.92 -4.65 120.64 114.94 2jbk n GLU 557 Ca 0.05 -0.41 -0.14 0.00 -0.02 0.00 0.00 57.16 56.64 2jbk n GLU 557 Cb 0.45 -3.58 -0.10 0.00 -0.02 0.00 0.00 31.44 28.19 2jbk n GLU 557 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2jbk s THR 558 N 13.54 0.99 0.28 2.62 -4.23 -1.26 -2.79 115.64 124.79 2jbk s THR 558 Ca 0.96 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 2jbk s THR 558 Cb -0.15 -1.89 0.38 0.00 1.34 0.00 0.00 72.50 72.18 2jbk s THR 558 CO 0.17 -0.70 1.59 0.22 -0.54 0.00 0.00 174.62 175.36 2jbk h TYR 559 N 2.78 -0.24 -0.36 3.99 3.20 -1.87 -0.56 116.97 123.90 2jbk h TYR 559 Ca -0.36 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.65 2jbk h TYR 559 Cb 1.19 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.64 2jbk h TYR 559 CO 0.61 -0.37 -0.09 0.93 -1.64 0.00 0.00 178.16 177.59 2jbk h GLU 560 N 0.03 -0.01 -0.96 1.82 3.07 -1.96 -1.13 114.58 115.45 2jbk h GLU 560 Ca 0.49 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.64 2jbk h GLU 560 Cb 0.88 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.64 2jbk h GLU 560 CO -0.88 -0.00 0.41 1.25 -1.40 0.00 0.00 179.01 178.39 2jbk h LEU 561 N -0.01 0.26 0.05 1.33 5.85 -1.37 -1.48 115.31 119.94 2jbk h LEU 561 Ca 0.17 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 2jbk h LEU 561 Cb 0.27 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2jbk h LEU 561 CO -0.38 -0.17 -0.02 0.58 -0.34 0.00 0.00 178.44 178.10 2jbk h VAL 562 N 0.24 1.02 -0.35 1.05 2.07 -0.98 -3.05 116.25 116.25 2jbk h VAL 562 Ca 0.67 -1.58 0.08 0.00 0.82 0.00 0.00 66.70 66.68 2jbk h VAL 562 Cb 1.48 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 33.03 2jbk h VAL 562 CO -0.65 0.32 -0.18 -0.08 0.02 0.00 0.00 177.57 177.00 2jbk h GLU 563 N -0.94 -0.12 0.27 1.57 4.81 -0.92 -2.02 114.58 117.24 2jbk h GLU 563 Ca -0.01 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jbk h GLU 563 Cb 0.58 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2jbk h GLU 563 CO 0.01 -0.08 -0.13 0.87 -0.73 0.00 0.00 179.01 178.95 2jbk h LYS 564 N -0.12 -0.35 0.04 1.92 1.57 -1.46 -3.19 116.57 114.97 2jbk h LYS 564 Ca 0.18 0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.66 2jbk h LYS 564 Cb 0.39 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2jbk h LYS 564 CO -0.43 -0.24 -1.87 1.19 -0.57 0.00 0.00 179.45 177.53 2jbk n PHE 565 N -3.81 0.98 -0.09 -1.35 3.72 -1.16 -4.64 117.46 111.10 2jbk n PHE 565 Ca -0.05 0.30 -0.17 0.00 -0.05 0.00 0.00 57.45 57.48 2jbk n PHE 565 Cb 0.14 -1.16 -0.09 0.00 -0.94 0.00 0.00 39.48 37.43 2jbk n PHE 565 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 2jbk h TYR 566 N 0.02 0.00 -1.32 1.38 -1.99 -1.37 -3.45 116.97 110.24 2jbk h TYR 566 Ca -0.36 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 59.99 2jbk h TYR 566 Cb 2.03 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 40.49 2jbk h TYR 566 CO 0.03 1.11 -0.78 -3.47 -0.00 0.00 0.00 178.16 175.04 2jbk n ASP 567 N -4.49 -1.58 -0.16 3.88 2.03 -1.02 -4.83 116.55 110.37 2jbk n ASP 567 Ca -0.25 -2.84 -0.05 0.00 0.52 0.00 0.00 54.79 52.17 2jbk n ASP 567 Cb 0.57 0.56 0.04 0.00 -0.72 0.00 0.00 41.12 41.57 2jbk n ASP 567 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jbk h PRO 568 N 4.57 0.53 0.00 -0.67 0.11 -1.71 -1.73 132.00 133.10 2jbk h PRO 568 Ca 0.05 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 2jbk h PRO 568 Cb 0.98 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2jbk h PRO 568 CO 0.31 0.35 -0.23 0.52 -0.21 0.00 0.00 178.00 178.74 2jbk h MET 569 N 0.55 0.00 -0.58 1.05 2.86 -1.93 -3.46 114.93 113.41 2jbk h MET 569 Ca 0.21 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.63 2jbk h MET 569 Cb 0.07 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 2jbk h MET 569 CO -0.12 0.23 -0.21 1.19 1.06 0.00 0.00 176.91 179.06 2jbk n PHE 570 N -3.97 -0.03 0.12 -0.22 3.72 -0.65 -4.91 117.46 111.51 2jbk n PHE 570 Ca -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.39 2jbk n PHE 570 Cb 0.31 -2.09 -0.01 0.00 -0.94 0.00 0.00 39.48 36.75 2jbk n PHE 570 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2jbk h LYS 571 N 0.00 0.00 0.02 -1.08 2.10 -1.90 -2.60 116.57 113.11 2jbk h LYS 571 Ca -0.23 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.17 2jbk h LYS 571 Cb 0.74 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.09 2jbk h LYS 571 CO 0.33 0.53 -1.03 1.88 -2.00 0.00 0.00 179.45 179.15 2jbk h TYR 572 N 0.00 0.86 -0.22 0.07 0.05 -1.91 -1.93 116.97 113.90 2jbk h TYR 572 Ca -0.03 -0.48 0.06 0.00 0.05 0.00 0.00 58.73 58.33 2jbk h TYR 572 Cb 1.46 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 39.04 2jbk h TYR 572 CO 0.00 1.31 -0.19 0.45 -1.05 0.00 0.00 178.16 178.68 2jbk h HIS 573 N 0.31 -0.49 0.00 4.88 3.86 -1.94 -1.53 115.15 120.24 2jbk h HIS 573 Ca -0.12 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2jbk h HIS 573 Cb 1.68 0.25 -0.00 0.00 1.06 0.00 0.00 27.41 30.40 2jbk h HIS 573 CO 0.09 -0.27 -0.00 1.25 0.86 0.00 0.00 177.93 179.86 2jbk h LEU 574 N -0.20 0.00 0.02 2.43 5.85 -1.45 0.40 115.31 122.36 2jbk h LEU 574 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jbk h LEU 574 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jbk h LEU 574 CO -0.34 0.00 -0.01 0.74 -0.34 0.00 0.00 178.44 178.50 2jbk h THR 575 N 0.00 1.30 -0.68 1.05 2.02 -0.88 -2.85 112.91 112.87 2jbk h THR 575 Ca -0.00 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.22 2jbk h THR 575 Cb 0.60 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 2jbk h THR 575 CO 0.00 0.26 0.39 0.58 0.37 0.00 0.00 175.52 177.12 2jbk h VAL 576 N -0.47 1.00 0.00 3.16 2.07 -0.45 0.82 116.25 122.38 2jbk h VAL 576 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jbk h VAL 576 Cb 0.44 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2jbk h VAL 576 CO 0.01 0.13 0.31 0.00 0.02 0.00 0.00 177.57 178.04 2jbk h ALA 577 N 1.34 1.30 0.04 1.67 0.00 -0.25 0.71 119.26 124.06 2jbk h ALA 577 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.84 2jbk h ALA 577 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2jbk h ALA 577 CO -0.16 -0.30 -2.13 1.04 0.00 0.00 0.00 179.25 177.71 2jbk n GLN 578 N -2.77 0.66 0.33 0.00 6.02 0.27 -2.31 117.38 119.58 2jbk n GLN 578 Ca -0.02 0.29 -0.18 0.00 -0.01 0.00 0.00 57.00 57.08 2jbk n GLN 578 Cb 0.35 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.91 2jbk n GLN 578 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2jbk h VAL 579 N -0.37 0.09 -0.03 5.09 2.07 -0.71 0.28 116.25 122.68 2jbk h VAL 579 Ca -0.52 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2jbk h VAL 579 Cb 1.77 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 2jbk h VAL 579 CO -0.13 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 177.13 2jbk h ARG 580 N -1.01 -0.42 0.00 1.57 3.08 -1.04 -0.83 114.38 115.73 2jbk h ARG 580 Ca -0.07 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2jbk h ARG 580 Cb 0.85 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2jbk h ARG 580 CO 0.01 -0.28 -0.23 0.78 -1.07 0.00 0.00 179.97 179.17 2jbk h GLY 581 N -0.44 0.00 0.73 0.04 0.00 -1.46 -1.81 103.07 100.13 2jbk h GLY 581 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jbk h GLY 581 CO -0.26 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 174.90 2jbk h GLY 582 N 1.00 -0.13 0.77 4.60 0.00 -0.25 0.18 103.07 109.24 2jbk h GLY 582 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2jbk h GLY 582 CO 0.03 -0.05 0.14 -0.33 0.00 0.00 0.00 176.54 176.33 2jbk h MET 583 N -0.40 0.29 0.13 4.80 2.07 -0.89 -0.48 114.93 120.45 2jbk h MET 583 Ca -0.01 -0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.62 2jbk h MET 583 Cb 0.34 -0.07 -0.05 0.00 -1.87 0.00 0.00 31.60 29.96 2jbk h MET 583 CO 0.02 0.19 -0.48 0.28 1.07 0.00 0.00 176.91 178.00 2jbk h VAL 584 N 0.30 0.08 -0.65 -2.22 2.07 -1.22 -2.12 116.25 112.48 2jbk h VAL 584 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 2jbk h VAL 584 Cb 0.09 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 29.83 2jbk h VAL 584 CO -0.13 0.00 -0.01 0.15 0.02 0.00 0.00 177.57 177.60 2jbk h PHE 585 N -0.71 -0.07 0.42 1.57 3.57 -0.17 0.27 116.94 121.82 2jbk h PHE 585 Ca 0.01 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2jbk h PHE 585 Cb 0.73 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2jbk h PHE 585 CO -0.41 -0.19 -0.20 0.93 -2.23 0.00 0.00 178.31 176.21 2jbk h GLU 586 N 0.10 -0.54 -0.76 1.11 4.39 -0.79 -2.48 114.58 115.61 2jbk h GLU 586 Ca 0.34 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.18 2jbk h GLU 586 Cb 0.57 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2jbk h GLU 586 CO -0.57 -0.32 0.50 -0.07 -1.16 0.00 0.00 179.01 177.38 2jbk h LEU 587 N -0.62 0.61 0.00 1.33 3.38 -0.68 0.19 115.31 119.52 2jbk h LEU 587 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jbk h LEU 587 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jbk h LEU 587 CO 0.09 0.37 -0.19 0.00 0.09 0.00 0.00 178.44 178.80 2jbk n ALA 588 N -2.46 2.60 0.00 1.53 0.00 0.89 -4.47 120.51 118.61 2jbk n ALA 588 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jbk n ALA 588 Cb 0.33 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2jbk n ALA 588 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jbk n ASN 589 N -1.87 1.07 -4.77 0.00 5.15 -0.63 -0.60 115.26 113.61 2jbk n ASN 589 Ca 0.06 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.64 2jbk n ASN 589 Cb 0.39 0.20 -0.03 0.00 -0.53 0.00 0.00 39.78 39.81 2jbk n ASN 589 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2jbk s SER 590 N -0.59 6.81 0.19 1.20 0.15 0.57 -4.61 113.70 117.43 2jbk s SER 590 Ca 0.00 2.35 -0.10 0.00 0.70 0.00 0.00 55.95 58.91 2jbk s SER 590 Cb 0.00 -2.62 0.12 0.00 -1.71 0.00 0.00 66.02 61.81 2jbk s SER 590 CO 0.00 -0.47 1.76 0.40 1.20 0.00 0.00 173.24 176.13 2jbk h ILE 591 N 2.67 1.24 -3.72 6.45 2.04 -1.97 -3.40 117.51 120.83 2jbk h ILE 591 Ca -0.48 -0.75 -0.69 0.00 1.00 0.00 0.00 64.86 63.95 2jbk h ILE 591 Cb 1.22 0.42 -0.20 0.00 -0.74 0.00 0.00 36.82 37.53 2jbk h ILE 591 CO 0.64 0.30 -0.71 -0.69 0.00 0.00 0.00 178.15 177.70 2jbk s VAL 592 N -5.58 3.60 0.24 1.67 1.01 -1.26 -5.04 120.40 115.04 2jbk s VAL 592 Ca -0.13 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 2jbk s VAL 592 Cb 0.14 -2.46 -0.12 0.00 0.00 0.00 0.00 36.38 33.94 2jbk s VAL 592 CO 0.82 0.60 1.60 0.18 0.00 0.00 0.00 175.10 178.29 2jbk n LEU 593 N 2.26 3.88 -0.47 3.92 4.77 -1.26 -4.83 117.00 125.26 2jbk n LEU 593 Ca -0.18 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2jbk n LEU 593 Cb 0.53 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2jbk n LEU 593 CO 0.27 -0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.68 2jbk n PRO 594 N 2.83 0.00 -3.59 3.23 -0.02 -1.26 -4.83 135.00 131.37 2jbk n PRO 594 Ca 0.12 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 2jbk n PRO 594 Cb 0.34 -0.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.83 2jbk n PRO 594 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jbk s PHE 595 N -0.90 3.69 -0.42 6.00 0.08 -1.26 -4.20 117.98 120.98 2jbk s PHE 595 Ca 0.00 0.87 -0.04 0.00 0.12 0.00 0.00 56.93 57.89 2jbk s PHE 595 Cb 0.00 -2.21 0.11 0.00 -0.57 0.00 0.00 43.02 40.35 2jbk s PHE 595 CO 0.00 0.65 0.22 0.34 -0.10 0.00 0.00 175.22 176.33 2jbk s ASP 596 N -1.01 5.32 0.02 1.36 -1.08 -1.18 -4.93 116.67 115.16 2jbk s ASP 596 Ca 0.21 -1.99 0.04 0.00 -0.52 0.00 0.00 52.55 50.30 2jbk s ASP 596 Cb -0.15 -1.86 0.18 0.00 -1.46 0.00 0.00 42.92 39.63 2jbk s ASP 596 CO 0.11 -0.56 1.12 0.00 0.52 0.00 0.00 175.17 176.36 2jbk h ARG 598 N 0.00 0.26 0.00 0.00 3.08 -1.92 -3.07 114.38 112.73 2jbk h ARG 598 Ca 0.00 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 2jbk h ARG 598 Cb 0.05 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2jbk h ARG 598 CO 0.00 1.21 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.65 2jbk h ASP 599 N 0.07 0.00 0.28 7.04 3.32 -1.38 0.23 116.42 125.98 2jbk h ASP 599 Ca -0.13 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.69 2jbk h ASP 599 Cb 1.95 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.51 2jbk h ASP 599 CO 0.20 0.02 -0.98 0.22 -1.72 0.00 0.00 179.24 176.97 2jbk h TYR 600 N 0.00 0.70 -0.31 4.55 5.03 -1.64 -2.27 116.97 123.04 2jbk h TYR 600 Ca -0.00 -0.39 -0.06 0.00 2.58 0.00 0.00 58.73 60.86 2jbk h TYR 600 Cb 0.04 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2jbk h TYR 600 CO 0.00 1.21 -0.08 0.00 -1.32 0.00 0.00 178.16 177.98 2jbk h ALA 601 N 0.66 1.30 -2.91 1.82 0.00 -0.58 -0.08 119.26 119.46 2jbk h ALA 601 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jbk h ALA 601 Cb 1.62 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jbk h ALA 601 CO 0.17 0.47 0.00 0.28 0.00 0.00 0.00 179.25 180.18 2jbk n VAL 602 N -4.23 0.00 -0.35 0.00 0.31 -0.20 -3.38 118.33 110.48 2jbk n VAL 602 Ca 0.01 1.01 0.27 0.00 -0.01 0.00 0.00 64.34 65.62 2jbk n VAL 602 Cb 0.29 -1.97 0.56 0.00 -0.91 0.00 0.00 33.84 31.82 2jbk n VAL 602 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2jbk h VAL 603 N 0.00 0.42 -0.80 2.52 -1.51 -1.39 0.86 116.25 116.35 2jbk h VAL 603 Ca 0.00 -0.10 0.09 0.00 -1.23 0.00 0.00 66.70 65.46 2jbk h VAL 603 Cb 0.00 0.10 -0.07 0.00 -2.13 0.00 0.00 31.29 29.19 2jbk h VAL 603 CO 0.00 0.05 0.46 -0.07 -1.23 0.00 0.00 177.57 176.78 2jbk h LEU 604 N 0.29 0.66 -0.61 4.19 3.38 -1.12 0.76 115.31 122.86 2jbk h LEU 604 Ca 0.65 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.52 2jbk h LEU 604 Cb 1.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2jbk h LEU 604 CO -0.31 0.39 -0.42 -0.09 0.09 0.00 0.00 178.44 178.11 2jbk h ARG 605 N 0.79 0.62 0.17 1.13 9.65 -0.83 -1.64 114.38 124.27 2jbk h ARG 605 Ca 0.38 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2jbk h ARG 605 Cb 0.32 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 2jbk h ARG 605 CO -0.23 0.92 -0.16 0.87 2.80 0.00 0.00 179.97 184.17 2jbk h LYS 606 N 0.51 -0.34 -0.58 0.20 6.56 -1.25 -1.47 116.57 120.20 2jbk h LYS 606 Ca 0.04 0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.70 2jbk h LYS 606 Cb 0.94 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.64 2jbk h LYS 606 CO 0.08 -0.22 0.38 1.88 -2.06 0.00 0.00 179.45 179.51 2jbk h TYR 607 N -0.35 0.58 -0.46 -1.35 0.05 -0.78 0.84 116.97 115.50 2jbk h TYR 607 Ca -0.00 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 2jbk h TYR 607 Cb 0.32 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2jbk h TYR 607 CO -0.13 0.32 -0.20 0.00 -1.05 0.00 0.00 178.16 177.10 2jbk h ALA 608 N 1.68 0.65 0.46 3.88 0.00 -0.98 -2.35 119.26 122.60 2jbk h ALA 608 Ca 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jbk h ALA 608 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jbk h ALA 608 CO -0.07 0.62 -0.23 -0.44 0.00 0.00 0.00 179.25 179.13 2jbk h ASP 609 N 0.80 -0.55 -0.74 0.00 3.32 -0.05 -2.20 116.42 116.99 2jbk h ASP 609 Ca 0.11 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.34 2jbk h ASP 609 Cb 0.78 0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.34 2jbk h ASP 609 CO 0.06 -0.39 -0.11 0.50 -1.72 0.00 0.00 179.24 177.58 2jbk h LYS 610 N -0.64 0.03 -0.03 3.56 1.63 -0.67 0.05 116.57 120.52 2jbk h LYS 610 Ca -0.06 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.57 2jbk h LYS 610 Cb 0.49 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2jbk h LYS 610 CO 0.10 0.02 -0.72 0.97 -3.45 0.00 0.00 179.45 176.36 2jbk h ILE 611 N 0.03 1.45 0.12 2.00 6.09 -1.37 -1.59 117.51 124.25 2jbk h ILE 611 Ca 0.38 -2.31 -0.01 0.00 -1.37 0.00 0.00 64.86 61.55 2jbk h ILE 611 Cb 0.62 2.24 0.00 0.00 0.47 0.00 0.00 36.82 40.15 2jbk h ILE 611 CO -0.72 0.67 -0.06 0.22 -3.07 0.00 0.00 178.15 175.19 2jbk h TYR 612 N 0.11 -0.15 -0.96 2.19 3.20 -0.39 -2.25 116.97 118.72 2jbk h TYR 612 Ca -0.02 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.11 2jbk h TYR 612 Cb 1.28 0.05 -0.14 0.00 1.54 0.00 0.00 36.73 39.47 2jbk h TYR 612 CO 0.02 0.18 0.47 0.77 -1.64 0.00 0.00 178.16 177.96 2jbk h SER 613 N -0.51 0.41 -0.76 -2.11 0.02 -0.97 -1.07 113.55 108.56 2jbk h SER 613 Ca -0.02 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2jbk h SER 613 Cb 0.41 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2jbk h SER 613 CO 0.03 -0.06 0.33 0.40 -1.14 0.00 0.00 176.83 176.39 2jbk h ILE 614 N 0.37 1.25 -0.26 3.27 2.04 -0.73 -3.04 117.51 120.42 2jbk h ILE 614 Ca 0.64 -0.76 -0.18 0.00 1.00 0.00 0.00 64.86 65.56 2jbk h ILE 614 Cb 1.33 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2jbk h ILE 614 CO -0.57 0.32 -0.56 -1.28 0.00 0.00 0.00 178.15 176.06 2jbk h SER 615 N 1.11 0.90 -0.39 1.72 0.87 -0.73 -2.81 113.55 114.22 2jbk h SER 615 Ca 0.26 -0.49 0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2jbk h SER 615 Cb 0.17 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2jbk h SER 615 CO -0.03 1.27 0.35 0.24 -0.53 0.00 0.00 176.83 178.14 2jbk h MET 616 N 0.61 0.00 -0.06 2.24 2.86 -1.33 0.57 114.93 119.83 2jbk h MET 616 Ca 0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2jbk h MET 616 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 2jbk h MET 616 CO 0.12 0.00 0.85 0.87 1.06 0.00 0.00 176.91 179.81 2jbk h LYS 617 N 0.00 0.00 -2.11 1.72 1.79 -1.49 -3.09 116.57 113.39 2jbk h LYS 617 Ca 0.19 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.09 2jbk h LYS 617 Cb 0.89 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.14 2jbk h LYS 617 CO -0.00 0.00 -0.88 0.72 -1.08 0.00 0.00 179.45 178.21 2jbk n HIS 618 N -2.65 1.84 0.36 -1.35 -0.00 0.20 -4.91 115.22 108.72 2jbk n HIS 618 Ca 0.01 -3.88 0.14 0.00 -0.00 0.00 0.00 57.72 53.99 2jbk n HIS 618 Cb 0.88 -0.46 0.46 0.00 -0.00 0.00 0.00 29.99 30.87 2jbk n HIS 618 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2jbk h PRO 619 N 3.66 0.00 0.29 -0.41 0.13 -1.74 -0.05 132.00 133.88 2jbk h PRO 619 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2jbk h PRO 619 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2jbk h PRO 619 CO 0.65 0.00 -0.17 0.37 -0.23 0.00 0.00 178.00 178.63 2jbk h GLN 620 N 0.00 -0.41 -0.55 0.86 5.75 -1.91 -1.45 115.11 117.41 2jbk h GLN 620 Ca 0.00 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.62 2jbk h GLN 620 Cb 0.64 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 29.17 2jbk h GLN 620 CO 0.00 -0.27 -0.35 0.93 -2.65 0.00 0.00 178.83 176.48 2jbk h GLU 621 N -0.43 -0.19 -1.30 1.69 3.07 -1.97 -0.28 114.58 115.18 2jbk h GLU 621 Ca -0.04 0.01 0.38 0.00 -0.50 0.00 0.00 59.36 59.22 2jbk h GLU 621 Cb 0.34 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.20 2jbk h GLU 621 CO 0.05 -0.13 0.89 0.52 -1.40 0.00 0.00 179.01 178.94 2jbk h MET 622 N -0.20 0.12 0.03 2.33 2.86 -0.92 0.97 114.93 120.12 2jbk h MET 622 Ca 0.21 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 2jbk h MET 622 Cb 0.55 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2jbk h MET 622 CO -0.65 0.08 -0.56 0.87 1.06 0.00 0.00 176.91 177.71 2jbk h LYS 623 N 0.13 0.07 -0.47 1.72 1.57 -0.02 -1.79 116.57 117.77 2jbk h LYS 623 Ca 0.70 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 59.50 2jbk h LYS 623 Cb 2.38 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.71 2jbk h LYS 623 CO -0.20 1.06 0.52 1.15 -0.57 0.00 0.00 179.45 181.41 2jbk h THR 624 N -0.84 0.33 0.00 -0.16 2.02 0.74 -2.54 112.91 112.46 2jbk h THR 624 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2jbk h THR 624 Cb 1.24 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2jbk h THR 624 CO -0.02 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.65 2jbk n TYR 625 N -3.65 0.00 -3.50 3.16 4.01 -0.39 -5.02 117.16 111.77 2jbk n TYR 625 Ca 0.09 -0.29 -0.20 0.00 -0.16 0.00 0.00 57.90 57.34 2jbk n TYR 625 Cb 0.71 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.77 2jbk n TYR 625 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2jbk n SER 626 N -0.29 -3.73 -4.51 7.72 7.64 -0.96 -4.88 113.62 114.61 2jbk n SER 626 Ca 0.00 -0.78 -0.43 0.00 1.01 0.00 0.00 58.87 58.68 2jbk n SER 626 Cb 0.18 -4.54 -0.04 0.00 -1.01 0.00 0.00 64.21 58.80 2jbk n SER 626 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jbk s VAL 627 N -3.48 4.37 -0.13 0.44 1.01 -0.70 -5.03 120.40 116.88 2jbk s VAL 627 Ca 0.22 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2jbk s VAL 627 Cb -0.05 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 2jbk s VAL 627 CO 0.78 -1.17 -0.17 -0.55 0.00 0.00 0.00 175.10 173.99 2jbk s SER 628 N 2.97 3.61 -0.11 3.32 0.15 -1.26 -4.93 113.70 117.45 2jbk s SER 628 Ca 0.29 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.54 2jbk s SER 628 Cb -0.13 -1.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.97 2jbk s SER 628 CO 0.18 0.13 1.05 0.49 1.20 0.00 0.00 173.24 176.28 2jbk n PHE 629 N 3.75 0.89 -0.15 3.44 3.72 -1.26 -4.54 117.46 123.31 2jbk n PHE 629 Ca -0.19 -0.37 -0.10 0.00 -0.05 0.00 0.00 57.45 56.74 2jbk n PHE 629 Cb 0.52 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 2jbk n PHE 629 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jbk h ASP 630 N 1.49 0.76 -0.93 4.37 5.19 -2.00 -2.19 116.42 123.11 2jbk h ASP 630 Ca 0.03 -0.30 0.18 0.00 -0.62 0.00 0.00 57.03 56.31 2jbk h ASP 630 Cb 1.17 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 40.38 2jbk h ASP 630 CO 0.23 0.88 0.51 0.77 -3.12 0.00 0.00 179.24 178.51 2jbk h SER 631 N 0.61 0.63 -0.09 6.45 4.64 -1.96 0.58 113.55 124.41 2jbk h SER 631 Ca 0.12 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 2jbk h SER 631 Cb 0.49 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2jbk h SER 631 CO 0.02 0.22 -0.07 0.25 -0.87 0.00 0.00 176.83 176.39 2jbk h LEU 632 N 0.66 0.22 -0.32 5.97 5.85 -1.68 -1.05 115.31 124.96 2jbk h LEU 632 Ca 0.53 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jbk h LEU 632 Cb 0.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2jbk h LEU 632 CO -0.39 0.62 0.17 -0.26 -0.34 0.00 0.00 178.44 178.24 2jbk h PHE 633 N -0.18 0.44 0.10 1.25 0.04 -1.14 0.27 116.94 117.72 2jbk h PHE 633 Ca 0.02 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2jbk h PHE 633 Cb 0.55 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.52 2jbk h PHE 633 CO 0.08 0.36 -0.38 1.03 -0.60 0.00 0.00 178.31 178.80 2jbk h SER 634 N 0.39 -1.12 -0.72 2.17 0.87 0.14 0.14 113.55 115.41 2jbk h SER 634 Ca 0.11 0.13 0.16 0.00 -1.23 0.00 0.00 61.79 60.96 2jbk h SER 634 Cb 0.07 0.43 -0.13 0.00 -0.44 0.00 0.00 62.40 62.33 2jbk h SER 634 CO -0.02 -0.45 -0.04 0.00 -0.53 0.00 0.00 176.83 175.79 2jbk h ALA 635 N -0.04 0.68 -0.53 6.23 0.00 -1.07 -1.99 119.26 122.56 2jbk h ALA 635 Ca 0.03 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2jbk h ALA 635 Cb 0.64 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2jbk h ALA 635 CO -0.24 -0.42 -0.09 0.28 0.00 0.00 0.00 179.25 178.78 2jbk h VAL 636 N 0.08 1.26 0.12 0.00 2.07 0.18 -1.43 116.25 118.53 2jbk h VAL 636 Ca 0.38 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2jbk h VAL 636 Cb 0.65 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2jbk h VAL 636 CO -0.66 0.43 -0.06 0.50 0.02 0.00 0.00 177.57 177.80 2jbk h LYS 637 N 0.87 -0.16 -0.98 1.57 3.64 -0.44 -2.23 116.57 118.84 2jbk h LYS 637 Ca 0.14 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.73 2jbk h LYS 637 Cb 0.63 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 2jbk h LYS 637 CO 0.04 -0.04 0.62 -0.91 -2.27 0.00 0.00 179.45 176.88 2jbk h ASN 638 N -0.23 0.65 0.77 4.20 2.35 -1.25 -1.23 115.58 120.84 2jbk h ASN 638 Ca -0.02 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2jbk h ASN 638 Cb 0.19 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2jbk h ASN 638 CO 0.03 0.23 -0.37 0.15 -1.65 0.00 0.00 177.43 175.82 2jbk h PHE 639 N 0.63 -0.96 -0.88 1.19 3.57 -0.86 -1.22 116.94 118.42 2jbk h PHE 639 Ca 0.55 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.17 2jbk h PHE 639 Cb 1.03 0.32 -0.14 0.00 2.79 0.00 0.00 35.95 39.94 2jbk h PHE 639 CO -0.00 -0.60 -0.32 2.41 -2.23 0.00 0.00 178.31 177.57 2jbk n THR 640 N -5.32 -0.45 -0.20 4.41 -1.04 -0.87 -1.50 114.28 109.31 2jbk n THR 640 Ca -0.13 2.05 -0.07 0.00 -2.04 0.00 0.00 64.05 63.86 2jbk n THR 640 Cb 0.41 -2.72 0.02 0.00 -1.82 0.00 0.00 70.33 66.22 2jbk n THR 640 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jbk h GLU 641 N 0.00 0.81 -0.15 -2.82 5.08 -1.05 -1.71 114.58 114.74 2jbk h GLU 641 Ca 0.32 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2jbk h GLU 641 Cb 0.54 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jbk h GLU 641 CO -0.87 0.66 -0.49 0.82 -1.00 0.00 0.00 179.01 178.12 2jbk h ILE 642 N 0.76 1.33 -0.04 3.13 2.04 -0.13 -2.81 117.51 121.79 2jbk h ILE 642 Ca 0.19 -1.72 -0.17 0.00 1.00 0.00 0.00 64.86 64.16 2jbk h ILE 642 Cb 0.12 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2jbk h ILE 642 CO -0.02 0.52 -0.73 0.00 0.00 0.00 0.00 178.15 177.92 2jbk h ALA 643 N 1.16 0.68 0.11 1.87 0.00 -1.05 0.29 119.26 122.33 2jbk h ALA 643 Ca 0.02 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jbk h ALA 643 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jbk h ALA 643 CO 0.08 0.80 -0.11 0.77 0.00 0.00 0.00 179.25 180.80 2jbk h SER 644 N 0.17 -0.31 -0.94 0.00 0.02 -1.21 -0.05 113.55 111.23 2jbk h SER 644 Ca -0.02 0.02 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 2jbk h SER 644 Cb 1.29 0.10 -0.17 0.00 0.14 0.00 0.00 62.40 63.77 2jbk h SER 644 CO 0.11 -0.15 0.17 0.11 -1.14 0.00 0.00 176.83 175.93 2jbk h LYS 645 N -0.22 0.08 0.70 3.45 1.57 -1.52 0.11 116.57 120.74 2jbk h LYS 645 Ca -0.01 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2jbk h LYS 645 Cb 0.19 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2jbk h LYS 645 CO -0.01 0.05 -0.34 0.35 -0.57 0.00 0.00 179.45 178.93 2jbk h PHE 646 N 0.08 -0.88 -0.21 -1.35 3.57 -0.26 -2.58 116.94 115.32 2jbk h PHE 646 Ca 0.61 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 2jbk h PHE 646 Cb 1.30 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 2jbk h PHE 646 CO -0.35 -0.53 0.03 0.66 -2.23 0.00 0.00 178.31 175.89 2jbk h SER 647 N -1.02 0.27 -0.75 0.41 4.64 -0.51 0.27 113.55 116.86 2jbk h SER 647 Ca -0.10 -0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.36 2jbk h SER 647 Cb 0.74 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 62.65 2jbk h SER 647 CO 0.16 0.30 0.16 -0.33 -0.87 0.00 0.00 176.83 176.25 2jbk h GLU 648 N 0.30 0.24 -0.04 4.77 5.08 -0.65 0.19 114.58 124.46 2jbk h GLU 648 Ca 0.07 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2jbk h GLU 648 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jbk h GLU 648 CO -0.00 0.16 -0.79 0.00 -1.00 0.00 0.00 179.01 177.38 2jbk h ARG 649 N 0.24 0.31 -0.78 2.33 3.08 -0.60 -2.20 114.38 116.76 2jbk h ARG 649 Ca 0.42 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2jbk h ARG 649 Cb 0.74 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2jbk h ARG 649 CO -0.54 0.95 0.32 1.25 -1.07 0.00 0.00 179.97 180.89 2jbk h LEU 650 N 0.20 1.07 0.63 3.04 5.85 -0.69 -2.72 115.31 122.69 2jbk h LEU 650 Ca -0.04 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2jbk h LEU 650 Cb 1.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2jbk h LEU 650 CO 0.13 0.94 -0.46 1.56 -0.34 0.00 0.00 178.44 180.27 2jbk h GLN 651 N 1.13 -1.02 -2.14 1.25 7.50 -0.38 -3.39 115.11 118.07 2jbk h GLN 651 Ca 0.26 0.07 -0.11 0.00 0.50 0.00 0.00 58.65 59.37 2jbk h GLN 651 Cb 0.20 0.23 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 2jbk h GLN 651 CO -0.02 -0.68 -0.17 -0.25 -1.50 0.00 0.00 178.83 176.21 2jbk n ASP 652 N -5.57 4.29 -3.69 1.46 10.43 -0.94 -4.97 116.55 117.55 2jbk n ASP 652 Ca -0.13 -2.26 -0.13 0.00 2.57 0.00 0.00 54.79 54.84 2jbk n ASP 652 Cb 0.46 -1.10 -0.13 0.00 1.84 0.00 0.00 41.12 42.19 2jbk n ASP 652 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2jbk s PHE 653 N 1.11 -0.39 -0.27 1.24 -0.12 -1.25 -4.99 117.98 113.32 2jbk s PHE 653 Ca 0.40 0.90 -0.31 0.00 -0.05 0.00 0.00 56.93 57.87 2jbk s PHE 653 Cb 0.19 0.01 -0.08 0.00 -0.63 0.00 0.00 43.02 42.51 2jbk s PHE 653 CO 0.00 -0.30 2.20 -3.47 -0.05 0.00 0.00 175.22 173.60 2jbk n ASP 654 N 4.84 2.76 0.00 1.98 2.03 -1.26 -4.67 116.55 122.22 2jbk n ASP 654 Ca -0.15 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2jbk n ASP 654 Cb 0.51 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 2jbk n ASP 654 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jbk n LYS 655 N 8.44 0.00 0.09 -0.67 5.02 -1.26 -0.16 118.16 129.62 2jbk n LYS 655 Ca 0.35 0.36 -0.06 0.00 -2.02 0.00 0.00 58.31 56.94 2jbk n LYS 655 Cb 0.34 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2jbk n LYS 655 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jbk h SER 656 N 0.00 0.17 -1.19 4.39 0.87 -2.05 -3.41 113.55 112.33 2jbk h SER 656 Ca 0.00 -0.13 -0.36 0.00 -1.23 0.00 0.00 61.79 60.07 2jbk h SER 656 Cb 0.11 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2jbk h SER 656 CO 0.00 0.88 0.96 0.21 -0.53 0.00 0.00 176.83 178.35 2jbk s ASN 657 N -6.88 5.09 0.07 6.23 2.47 0.77 -4.91 114.94 117.78 2jbk s ASN 657 Ca -0.02 -0.20 -0.27 0.00 0.42 0.00 0.00 52.86 52.80 2jbk s ASN 657 Cb 0.11 -2.55 -0.17 0.00 -1.45 0.00 0.00 41.25 37.20 2jbk s ASN 657 CO 0.81 -2.68 1.63 -0.65 -3.72 0.00 0.00 177.10 172.48 2jbk h PRO 658 N 13.04 -0.32 -0.89 0.43 0.11 -1.86 -1.08 132.00 141.43 2jbk h PRO 658 Ca -0.05 0.02 0.24 0.00 0.11 0.00 0.00 66.00 66.32 2jbk h PRO 658 Cb 1.07 0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 2jbk h PRO 658 CO 1.20 -0.17 0.21 0.82 -0.21 0.00 0.00 178.00 179.85 2jbk h ILE 659 N -0.39 0.26 -0.12 4.15 1.08 -1.98 0.42 117.51 120.93 2jbk h ILE 659 Ca -0.03 -0.06 -0.15 0.00 -0.39 0.00 0.00 64.86 64.23 2jbk h ILE 659 Cb 0.30 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2jbk h ILE 659 CO 0.06 0.03 -0.55 0.58 -0.69 0.00 0.00 178.15 177.57 2jbk h VAL 660 N 0.17 1.35 0.30 1.67 2.07 -1.74 -1.81 116.25 118.24 2jbk h VAL 660 Ca 0.56 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2jbk h VAL 660 Cb 1.15 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2jbk h VAL 660 CO -0.70 0.55 -0.20 0.25 0.02 0.00 0.00 177.57 177.49 2jbk h LEU 661 N 0.28 -0.52 -1.30 2.57 5.85 0.20 -2.70 115.31 119.69 2jbk h LEU 661 Ca 0.00 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.07 2jbk h LEU 661 Cb 1.06 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 2jbk h LEU 661 CO 0.09 -0.30 0.69 -0.09 -0.34 0.00 0.00 178.44 178.49 2jbk h ARG 662 N -0.48 0.32 -0.09 1.25 9.65 -0.29 0.33 114.38 125.07 2jbk h ARG 662 Ca -0.04 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 2jbk h ARG 662 Cb 0.39 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2jbk h ARG 662 CO 0.03 0.21 -0.23 1.98 2.80 0.00 0.00 179.97 184.76 2jbk h MET 663 N 0.33 0.15 0.03 0.20 4.05 -1.06 -2.15 114.93 116.49 2jbk h MET 663 Ca 0.67 -0.04 -0.28 0.00 -0.28 0.00 0.00 59.70 59.77 2jbk h MET 663 Cb 1.74 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.49 2jbk h MET 663 CO -0.38 0.39 -1.51 0.52 0.23 0.00 0.00 176.91 176.16 2jbk h MET 664 N 0.14 0.06 0.00 0.39 2.86 -0.06 -2.58 114.93 115.75 2jbk h MET 664 Ca 0.02 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2jbk h MET 664 Cb 0.50 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2jbk h MET 664 CO 0.03 0.79 -0.60 -0.91 1.06 0.00 0.00 176.91 177.28 2jbk h ASN 665 N 0.02 0.00 0.13 1.22 2.35 -1.38 0.17 115.58 118.09 2jbk h ASN 665 Ca -0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 2jbk h ASN 665 Cb 1.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.32 2jbk h ASN 665 CO 0.11 0.60 -0.06 0.44 -1.65 0.00 0.00 177.43 176.86 2jbk h ASP 666 N 0.00 -0.15 -0.91 5.81 5.19 -1.39 1.13 116.42 126.10 2jbk h ASP 666 Ca -0.01 -0.28 0.16 0.00 -0.62 0.00 0.00 57.03 56.28 2jbk h ASP 666 Cb 1.23 0.04 -0.10 0.00 0.18 0.00 0.00 39.33 40.68 2jbk h ASP 666 CO 0.08 0.21 0.51 1.56 -3.12 0.00 0.00 179.24 178.48 2jbk h GLN 667 N -0.53 0.67 0.21 3.56 4.20 -0.98 0.14 115.11 122.38 2jbk h GLN 667 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2jbk h GLN 667 Cb 0.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2jbk h GLN 667 CO 0.03 0.44 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.46 2jbk h LEU 668 N 0.69 -0.24 0.18 1.46 -0.00 -0.45 -3.02 115.31 113.92 2jbk h LEU 668 Ca 0.51 -0.26 0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2jbk h LEU 668 Cb 0.74 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 2jbk h LEU 668 CO -0.37 0.17 -0.25 -0.03 -0.00 0.00 0.00 178.44 177.97 2jbk h MET 669 N -0.70 -0.47 0.00 1.13 4.05 0.24 -2.33 114.93 116.85 2jbk h MET 669 Ca -0.03 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jbk h MET 669 Cb 0.49 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 2jbk h MET 669 CO 0.05 -0.31 0.00 1.19 0.23 0.00 0.00 176.91 178.06 2jbk n PHE 670 N -5.37 0.00 -0.05 1.39 3.72 0.40 -3.89 117.46 113.67 2jbk n PHE 670 Ca -0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 2jbk n PHE 670 Cb 0.28 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 2jbk n PHE 670 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2jbk h LEU 671 N 0.00 0.38 -1.17 4.37 5.85 -1.27 -2.48 115.31 120.98 2jbk h LEU 671 Ca 0.00 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.22 2jbk h LEU 671 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2jbk h LEU 671 CO 0.00 0.85 0.57 -0.08 -0.34 0.00 0.00 178.44 179.44 2jbk h GLU 672 N -0.08 1.04 0.00 1.25 4.57 -1.76 -0.86 114.58 118.74 2jbk h GLU 672 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2jbk h GLU 672 Cb 0.77 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2jbk h GLU 672 CO 0.05 0.69 0.02 -0.09 -1.18 0.00 0.00 179.01 178.49 2jbk h ARG 673 N 1.07 0.00 0.00 1.92 9.65 -1.03 -1.72 114.38 124.27 2jbk h ARG 673 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 2jbk h ARG 673 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2jbk h ARG 673 CO -0.10 0.00 -0.14 0.00 2.80 0.00 0.00 179.97 182.52 2jbk h ALA 674 N 1.96 0.92 -0.20 2.80 0.00 -0.93 -2.89 119.26 120.92 2jbk h ALA 674 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jbk h ALA 674 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jbk h ALA 674 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2jbk n PHE 675 N -2.70 0.27 -3.38 0.00 3.72 -0.65 -4.60 117.46 110.12 2jbk n PHE 675 Ca 0.04 -0.13 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 2jbk n PHE 675 Cb 0.49 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.97 2jbk n PHE 675 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2jbk s ILE 676 N -1.73 5.12 -0.25 4.37 -1.09 -1.09 -1.51 121.20 125.02 2jbk s ILE 676 Ca 0.13 0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 59.36 2jbk s ILE 676 Cb 0.07 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2jbk s ILE 676 CO 0.09 0.42 0.15 -0.62 -1.23 0.00 0.00 174.94 173.75 2jbk s ASP 677 N 0.02 5.99 0.40 3.58 -1.08 -0.27 -4.99 116.67 120.32 2jbk s ASP 677 Ca 0.25 0.06 0.07 0.00 -0.52 0.00 0.00 52.55 52.41 2jbk s ASP 677 Cb -0.16 -2.09 0.84 0.00 -1.46 0.00 0.00 42.92 40.06 2jbk s ASP 677 CO 0.11 0.04 2.03 -0.65 0.52 0.00 0.00 175.17 177.22 2jbk h PRO 678 N 7.71 0.49 0.00 4.34 0.11 -1.98 -1.19 132.00 141.48 2jbk h PRO 678 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2jbk h PRO 678 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jbk h PRO 678 CO 0.63 0.37 0.00 1.28 -0.21 0.00 0.00 178.00 180.06 2jbk n LEU 679 N -4.44 0.15 -1.38 2.35 4.77 -1.26 -5.03 117.00 112.16 2jbk n LEU 679 Ca 0.02 0.55 0.18 0.00 -0.03 0.00 0.00 56.01 56.73 2jbk n LEU 679 Cb 0.10 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2jbk n LEU 679 CO 0.36 -0.44 -0.40 0.61 -1.33 0.00 0.00 177.39 176.18 2jbk n GLY 680 N -0.59 -2.48 3.82 -0.72 0.00 -0.45 -4.80 105.19 99.96 2jbk n GLY 680 Ca 0.02 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2jbk n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jbk s LEU 681 N -7.11 3.21 0.14 0.99 1.43 -0.52 -4.92 118.68 111.90 2jbk s LEU 681 Ca 0.00 1.65 -0.31 0.00 -1.03 0.00 0.00 54.13 54.44 2jbk s LEU 681 Cb 0.00 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 2jbk s LEU 681 CO 0.00 -1.37 1.81 -2.84 0.23 0.00 0.00 176.35 174.18 2jbk s PRO 682 N -4.83 4.13 0.00 1.29 0.02 -1.26 -1.93 135.00 132.42 2jbk s PRO 682 Ca 0.59 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.21 2jbk s PRO 682 Cb -0.14 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.88 2jbk s PRO 682 CO 0.51 -0.82 0.00 -0.25 -0.33 0.00 0.00 177.00 176.11 2jbk n ASP 683 N 5.35 0.00 -3.80 2.53 8.00 -1.26 -4.87 116.55 122.50 2jbk n ASP 683 Ca 0.17 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 2jbk n ASP 683 Cb 0.38 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 2jbk n ASP 683 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jbk s ARG 684 N 0.00 2.04 0.62 -1.24 0.52 -0.81 -4.95 118.95 115.12 2jbk s ARG 684 Ca 0.00 -2.94 0.29 0.00 -0.52 0.00 0.00 55.73 52.56 2jbk s ARG 684 Cb 0.00 -2.96 1.55 0.00 0.52 0.00 0.00 34.95 34.06 2jbk s ARG 684 CO 0.00 -1.28 1.93 -1.00 0.02 0.00 0.00 175.30 174.97 2jbk h PRO 685 N 5.67 0.00 -0.53 3.54 0.13 -1.87 -2.20 132.00 136.74 2jbk h PRO 685 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2jbk h PRO 685 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2jbk h PRO 685 CO 0.63 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.59 2jbk n PHE 686 N -3.44 1.30 -3.99 1.56 3.72 -1.26 -4.53 117.46 110.82 2jbk n PHE 686 Ca 0.04 -0.66 -0.32 0.00 -0.05 0.00 0.00 57.45 56.46 2jbk n PHE 686 Cb 0.53 -0.25 -0.14 0.00 -0.94 0.00 0.00 39.48 38.67 2jbk n PHE 686 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2jbk s TYR 687 N -2.00 3.60 -0.01 1.38 2.02 -0.83 -4.04 117.35 117.46 2jbk s TYR 687 Ca 0.46 -2.69 0.00 0.00 -0.37 0.00 0.00 57.07 54.47 2jbk s TYR 687 Cb 0.31 -2.68 -0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2jbk s TYR 687 CO 0.20 -0.93 0.06 0.54 -1.57 0.00 0.00 175.55 173.85 2jbk n ARG 688 N 4.36 6.12 -1.95 -0.62 1.74 0.06 -1.44 116.66 124.93 2jbk n ARG 688 Ca -0.02 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 2jbk n ARG 688 Cb 0.42 -0.56 -0.03 0.00 -1.02 0.00 0.00 32.46 31.27 2jbk n ARG 688 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jbk s HIS 689 N -0.92 2.80 -0.80 -1.55 2.46 -1.07 -1.12 115.29 115.09 2jbk s HIS 689 Ca 0.00 0.52 0.25 0.00 0.47 0.00 0.00 55.06 56.30 2jbk s HIS 689 Cb 0.00 -3.92 0.51 0.00 -0.13 0.00 0.00 32.58 29.04 2jbk s HIS 689 CO 0.01 -3.52 1.44 0.28 -2.47 0.00 0.00 174.74 170.48 2jbk n VAL 690 N 4.30 0.22 -0.08 0.89 0.31 -0.57 -3.93 118.33 119.48 2jbk n VAL 690 Ca 0.15 -0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 64.11 2jbk n VAL 690 Cb 0.40 -0.07 -0.13 0.00 -0.91 0.00 0.00 33.84 33.14 2jbk n VAL 690 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2jbk n ILE 691 N -1.86 1.61 -4.43 2.52 2.08 -1.26 -4.24 119.36 113.78 2jbk n ILE 691 Ca 0.04 -0.55 -0.20 0.00 0.56 0.00 0.00 62.75 62.60 2jbk n ILE 691 Cb 0.39 -1.62 -0.14 0.00 -0.75 0.00 0.00 39.64 37.53 2jbk n ILE 691 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2jbk s TYR 692 N -2.52 1.14 0.22 1.39 2.02 -1.25 -0.66 117.35 117.67 2jbk s TYR 692 Ca -0.30 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.04 2jbk s TYR 692 Cb 0.08 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 2jbk s TYR 692 CO 0.65 0.01 0.29 0.00 -1.57 0.00 0.00 175.55 174.93 2jbk s ALA 693 N -0.60 0.48 0.35 3.71 0.00 -0.91 -4.34 121.76 120.45 2jbk s ALA 693 Ca 0.03 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 2jbk s ALA 693 Cb -0.06 1.21 -0.12 0.00 0.00 0.00 0.00 23.12 24.14 2jbk s ALA 693 CO 0.00 -0.71 1.20 -2.30 0.00 0.00 0.00 175.76 173.96 2jbk n PRO 694 N -0.31 1.88 -1.73 0.00 -0.02 -1.26 -1.09 135.00 132.46 2jbk n PRO 694 Ca -0.00 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2jbk n PRO 694 Cb 0.64 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 2jbk n PRO 694 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jbk n SER 695 N 0.78 3.88 0.08 2.55 2.88 0.12 -4.73 113.62 119.20 2jbk n SER 695 Ca 0.06 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.81 2jbk n SER 695 Cb 0.36 -1.58 0.40 0.00 -0.75 0.00 0.00 64.21 62.64 2jbk n SER 695 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jbk n SER 696 N 2.77 0.39 -0.35 -3.46 7.64 -1.26 -2.39 113.62 116.96 2jbk n SER 696 Ca 0.11 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.69 2jbk n SER 696 Cb 0.36 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.86 2jbk n SER 696 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jbk n HIS 697 N -1.94 0.00 -3.07 1.43 8.25 -1.26 -4.89 115.22 113.74 2jbk n HIS 697 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 2jbk n HIS 697 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2jbk n HIS 697 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2jbk s ASN 698 N -2.14 -0.40 0.60 0.41 2.47 -1.01 -4.79 114.94 110.08 2jbk s ASN 698 Ca 0.14 -0.01 0.38 0.00 0.42 0.00 0.00 52.86 53.79 2jbk s ASN 698 Cb 0.14 1.07 1.82 0.00 -1.45 0.00 0.00 41.25 42.84 2jbk s ASN 698 CO 0.49 -0.07 2.15 0.50 -3.72 0.00 0.00 177.10 176.46 2jbk h LYS 699 N 6.84 0.00 0.00 0.43 3.64 -1.88 -0.87 116.57 124.72 2jbk h LYS 699 Ca -0.08 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 2jbk h LYS 699 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2jbk h LYS 699 CO -0.09 0.01 -0.33 1.88 -2.27 0.00 0.00 179.45 178.65 2jbk h TYR 700 N 0.00 0.00 -3.50 1.91 0.05 -1.89 -0.22 116.97 113.32 2jbk h TYR 700 Ca -0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 2jbk h TYR 700 Cb 0.29 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.90 2jbk h TYR 700 CO 0.00 0.33 -0.46 0.00 -1.05 0.00 0.00 178.16 176.98 2jbk s ALA 701 N -3.77 3.62 0.35 3.88 0.00 -0.33 -4.40 121.76 121.10 2jbk s ALA 701 Ca -0.01 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2jbk s ALA 701 Cb 0.12 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 2jbk s ALA 701 CO 0.67 -0.13 0.95 0.20 0.00 0.00 0.00 175.76 177.45 2jbk s GLY 702 N 0.91 2.71 0.09 0.00 0.00 -1.26 0.16 107.32 109.93 2jbk s GLY 702 Ca 0.09 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.38 2jbk s GLY 702 CO 0.04 0.92 -0.15 1.85 0.00 0.00 0.00 173.10 175.75 2jbk s GLU 703 N -2.30 0.91 0.13 2.90 2.56 -0.25 -4.78 118.70 117.87 2jbk s GLU 703 Ca 0.53 -1.05 0.04 0.00 0.00 0.00 0.00 54.97 54.50 2jbk s GLU 703 Cb -0.17 -0.94 -0.04 0.00 2.00 0.00 0.00 34.13 34.98 2jbk s GLU 703 CO 0.22 0.20 0.09 -1.54 -0.56 0.00 0.00 175.26 173.67 2jbk s SER 704 N -1.91 5.39 -1.21 -1.70 1.04 -1.26 -2.13 113.70 111.92 2jbk s SER 704 Ca 0.02 -0.12 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 2jbk s SER 704 Cb -0.09 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.68 2jbk s SER 704 CO 0.03 0.12 0.47 0.49 0.98 0.00 0.00 173.24 175.33 2jbk n PHE 705 N 0.08 -1.24 -0.15 5.02 3.72 0.16 -4.71 117.46 120.34 2jbk n PHE 705 Ca -0.09 0.17 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 2jbk n PHE 705 Cb 0.53 -2.57 0.34 0.00 -0.94 0.00 0.00 39.48 36.85 2jbk n PHE 705 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jbk h PRO 706 N -2.11 0.76 -0.95 -1.08 0.13 -1.76 -0.55 132.00 126.45 2jbk h PRO 706 Ca -0.65 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2jbk h PRO 706 Cb 1.31 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2jbk h PRO 706 CO 0.53 0.50 0.60 0.78 -0.23 0.00 0.00 178.00 180.18 2jbk h GLY 707 N 0.78 1.46 0.56 1.56 0.00 -1.89 -0.63 103.07 104.92 2jbk h GLY 707 Ca 0.26 -0.43 -0.27 0.00 0.00 0.00 0.00 47.33 46.89 2jbk h GLY 707 CO -0.07 0.27 -1.39 -2.22 0.00 0.00 0.00 176.54 173.13 2jbk h ILE 708 N 1.06 1.05 0.06 2.60 2.04 -1.60 -3.21 117.51 119.50 2jbk h ILE 708 Ca 0.43 -2.40 0.02 0.00 1.00 0.00 0.00 64.86 63.90 2jbk h ILE 708 Cb 0.24 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.02 2jbk h ILE 708 CO -0.20 0.70 -0.20 0.22 0.00 0.00 0.00 178.15 178.68 2jbk h TYR 709 N -0.31 -0.52 -0.00 1.37 3.20 -1.10 0.20 116.97 119.82 2jbk h TYR 709 Ca -0.30 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2jbk h TYR 709 Cb 1.75 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 40.25 2jbk h TYR 709 CO 0.13 -0.29 0.08 -0.44 -1.64 0.00 0.00 178.16 176.00 2jbk h ASP 710 N -0.35 0.00 0.19 -2.11 3.32 -1.25 0.74 116.42 116.97 2jbk h ASP 710 Ca 0.04 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.74 2jbk h ASP 710 Cb 0.40 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2jbk h ASP 710 CO -0.14 0.00 -2.01 0.00 -1.72 0.00 0.00 179.24 175.37 2jbk n ALA 711 N -2.04 1.14 -0.13 3.45 0.00 -0.67 -3.85 120.51 118.42 2jbk n ALA 711 Ca -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.57 2jbk n ALA 711 Cb 0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2jbk n ALA 711 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jbk h LEU 712 N 0.04 0.60 -7.69 0.00 3.38 0.62 -3.43 115.31 108.82 2jbk h LEU 712 Ca -0.42 -0.27 -0.61 0.00 0.09 0.00 0.00 57.88 56.67 2jbk h LEU 712 Cb 2.03 -0.16 0.08 0.00 0.09 0.00 0.00 40.66 42.69 2jbk h LEU 712 CO 0.06 0.72 -0.28 0.33 0.09 0.00 0.00 178.44 179.36 2jbk n PHE 713 N -4.54 -0.09 -3.85 1.13 7.35 0.25 -2.29 117.46 115.42 2jbk n PHE 713 Ca -0.01 0.86 -0.29 0.00 -0.76 0.00 0.00 57.45 57.25 2jbk n PHE 713 Cb 0.24 -1.71 -0.05 0.00 0.35 0.00 0.00 39.48 38.31 2jbk n PHE 713 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2jbk n ASP 714 N 1.56 -1.86 0.02 -2.13 2.03 -1.26 -4.82 116.55 110.09 2jbk n ASP 714 Ca 0.16 -0.67 -0.09 0.00 0.52 0.00 0.00 54.79 54.71 2jbk n ASP 714 Cb 0.16 -1.64 0.05 0.00 -0.72 0.00 0.00 41.12 38.98 2jbk n ASP 714 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2jbk h ILE 715 N -0.67 1.34 -0.82 5.18 2.10 -1.73 -2.72 117.51 120.18 2jbk h ILE 715 Ca -0.42 -1.89 0.20 0.00 1.08 0.00 0.00 64.86 63.84 2jbk h ILE 715 Cb 1.27 1.87 -0.13 0.00 -1.09 0.00 0.00 36.82 38.74 2jbk h ILE 715 CO 0.61 0.58 0.18 -0.33 -1.08 0.00 0.00 178.15 178.11 2jbk h GLU 716 N 0.37 0.21 0.00 2.19 3.07 -1.87 -0.56 114.58 117.99 2jbk h GLU 716 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jbk h GLU 716 Cb 1.15 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2jbk h GLU 716 CO 0.11 0.14 0.00 0.43 -1.40 0.00 0.00 179.01 178.28 2jbk n SER 717 N -5.23 0.00 -4.75 1.42 7.64 -1.03 -4.77 113.62 106.91 2jbk n SER 717 Ca 0.18 -0.08 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 2jbk n SER 717 Cb 0.59 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2jbk n SER 717 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jbk s LYS 718 N -2.13 4.38 0.21 1.43 1.02 -0.22 -4.97 119.74 119.46 2jbk s LYS 718 Ca 0.07 0.81 -0.12 0.00 0.02 0.00 0.00 55.97 56.75 2jbk s LYS 718 Cb 0.03 -3.37 0.26 0.00 -0.52 0.00 0.00 37.83 34.23 2jbk s LYS 718 CO 0.06 0.29 1.66 0.28 -0.92 0.00 0.00 175.35 176.72 2jbk h VAL 719 N 4.27 0.50 -3.44 3.17 2.07 -1.89 -3.37 116.25 117.56 2jbk h VAL 719 Ca -0.44 -0.03 -0.67 0.00 0.82 0.00 0.00 66.70 66.38 2jbk h VAL 719 Cb 1.20 0.40 -0.38 0.00 -1.52 0.00 0.00 31.29 30.99 2jbk h VAL 719 CO 0.71 0.02 -0.48 -0.62 0.02 0.00 0.00 177.57 177.21 2jbk s ASP 720 N -5.24 4.81 0.45 0.57 -1.08 -1.26 -4.89 116.67 110.04 2jbk s ASP 720 Ca -0.14 -3.04 0.22 0.00 -0.52 0.00 0.00 52.55 49.07 2jbk s ASP 720 Cb 0.18 -1.75 1.07 0.00 -1.46 0.00 0.00 42.92 40.97 2jbk s ASP 720 CO 0.73 -0.28 1.92 -0.65 0.52 0.00 0.00 175.17 177.42 2jbk h PRO 721 N 6.62 0.00 -0.26 4.34 0.11 -1.95 -1.24 132.00 139.61 2jbk h PRO 721 Ca -0.03 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.93 2jbk h PRO 721 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2jbk h PRO 721 CO 0.71 0.23 -0.46 1.03 -0.21 0.00 0.00 178.00 179.30 2jbk h SER 722 N 0.00 0.74 -0.21 -2.05 0.87 -1.96 -0.34 113.55 110.60 2jbk h SER 722 Ca -0.00 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 2jbk h SER 722 Cb 0.57 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2jbk h SER 722 CO 0.03 1.09 -0.22 0.50 -0.53 0.00 0.00 176.83 177.70 2jbk h LYS 723 N 0.55 0.53 0.17 2.24 1.63 -1.69 -1.32 116.57 118.67 2jbk h LYS 723 Ca 0.03 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2jbk h LYS 723 Cb 1.01 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 2jbk h LYS 723 CO 0.09 0.86 -0.17 0.00 -3.45 0.00 0.00 179.45 176.78 2jbk h ALA 724 N 0.66 -0.34 -0.62 5.00 0.00 -1.21 -1.98 119.26 120.76 2jbk h ALA 724 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2jbk h ALA 724 Cb 0.77 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2jbk h ALA 724 CO 0.05 -0.72 0.20 -1.49 0.00 0.00 0.00 179.25 177.30 2jbk h TRP 725 N -0.38 0.96 -0.85 0.00 4.06 -1.10 -1.19 115.95 117.45 2jbk h TRP 725 Ca 0.00 -0.08 0.15 0.00 2.06 0.00 0.00 58.89 61.03 2jbk h TRP 725 Cb 0.36 -0.29 -0.10 0.00 -1.00 0.00 0.00 29.16 28.14 2jbk h TRP 725 CO -0.14 0.76 0.43 0.78 -3.56 0.00 0.00 178.44 176.71 2jbk h GLY 726 N 1.02 1.39 1.30 1.49 0.00 -1.08 -1.57 103.07 105.62 2jbk h GLY 726 Ca 0.21 -0.24 -0.25 0.00 0.00 0.00 0.00 47.33 47.05 2jbk h GLY 726 CO -0.01 -0.06 -0.96 -2.09 0.00 0.00 0.00 176.54 173.42 2jbk h GLU 727 N 0.60 0.64 -0.87 4.80 4.57 -0.47 -1.00 114.58 122.84 2jbk h GLU 727 Ca 0.47 -0.65 0.19 0.00 -1.18 0.00 0.00 59.36 58.20 2jbk h GLU 727 Cb 0.69 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.34 2jbk h GLU 727 CO -0.38 1.25 0.39 0.28 -1.18 0.00 0.00 179.01 179.37 2jbk h VAL 728 N 0.38 0.55 0.14 0.32 2.07 -0.93 0.14 116.25 118.93 2jbk h VAL 728 Ca -0.10 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jbk h VAL 728 Cb 1.60 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2jbk h VAL 728 CO 0.18 0.08 -0.07 0.11 0.02 0.00 0.00 177.57 177.90 2jbk h LYS 729 N 0.46 -0.18 -0.44 1.57 1.57 -0.88 -1.48 116.57 117.18 2jbk h LYS 729 Ca 0.52 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.38 2jbk h LYS 729 Cb 0.92 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.18 2jbk h LYS 729 CO -0.48 0.14 -0.47 -0.09 -0.57 0.00 0.00 179.45 177.98 2jbk h ARG 730 N -0.53 -0.32 -0.97 3.15 2.43 -0.73 -0.33 114.38 117.09 2jbk h ARG 730 Ca -0.02 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.45 2jbk h ARG 730 Cb 0.41 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.89 2jbk h ARG 730 CO 0.03 -0.21 0.49 1.96 -1.51 0.00 0.00 179.97 180.73 2jbk h GLN 731 N -0.33 0.34 -0.47 0.20 1.08 -0.80 -0.42 115.11 114.71 2jbk h GLN 731 Ca 0.13 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2jbk h GLN 731 Cb 0.59 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2jbk h GLN 731 CO -0.61 0.23 0.03 0.82 -0.95 0.00 0.00 178.83 178.35 2jbk h ILE 732 N 0.35 1.23 0.00 2.54 2.04 -0.00 -2.15 117.51 121.52 2jbk h ILE 732 Ca 0.66 -0.92 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 2jbk h ILE 732 Cb 1.42 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2jbk h ILE 732 CO -0.59 0.33 -0.80 0.22 0.00 0.00 0.00 178.15 177.32 2jbk h TYR 733 N 0.72 0.00 -0.24 1.37 3.20 -0.15 -0.83 116.97 121.04 2jbk h TYR 733 Ca 0.15 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.84 2jbk h TYR 733 Cb 0.39 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2jbk h TYR 733 CO 0.02 0.67 -0.58 0.28 -1.64 0.00 0.00 178.16 176.91 2jbk h VAL 734 N 0.00 1.29 0.12 1.81 2.07 -1.31 -2.70 116.25 117.53 2jbk h VAL 734 Ca -0.03 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 2jbk h VAL 734 Cb 1.54 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2jbk h VAL 734 CO 0.08 0.57 -0.06 0.00 0.02 0.00 0.00 177.57 178.19 2jbk h ALA 735 N 0.78 -0.16 -0.23 1.67 0.00 -1.10 -2.37 119.26 117.84 2jbk h ALA 735 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jbk h ALA 735 Cb 1.17 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2jbk h ALA 735 CO 0.12 -0.50 -0.35 0.00 0.00 0.00 0.00 179.25 178.52 2jbk h ALA 736 N 0.52 -0.38 -0.35 0.00 0.00 -1.21 -0.52 119.26 117.32 2jbk h ALA 736 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jbk h ALA 736 Cb 0.28 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2jbk h ALA 736 CO 0.03 -0.81 -0.02 0.35 0.00 0.00 0.00 179.25 178.79 2jbk h PHE 737 N -0.37 0.58 -0.06 0.00 3.57 -1.46 -2.12 116.94 117.08 2jbk h PHE 737 Ca 0.12 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 2jbk h PHE 737 Cb 0.57 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2jbk h PHE 737 CO -0.48 0.58 -0.60 1.15 -2.23 0.00 0.00 178.31 176.73 2jbk h THR 738 N 0.53 1.39 -0.13 4.41 2.02 -0.68 0.10 112.91 120.54 2jbk h THR 738 Ca 0.11 -1.98 -0.16 0.00 0.77 0.00 0.00 66.41 65.15 2jbk h THR 738 Cb 0.37 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2jbk h THR 738 CO 0.01 0.58 -0.59 0.58 0.37 0.00 0.00 175.52 176.47 2jbk h VAL 739 N 0.16 1.35 -0.07 3.16 2.07 -0.49 -1.57 116.25 120.85 2jbk h VAL 739 Ca -0.01 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 2jbk h VAL 739 Cb 1.10 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2jbk h VAL 739 CO 0.09 0.58 -0.16 -0.61 0.02 0.00 0.00 177.57 177.48 2jbk h GLN 740 N 0.33 0.23 -0.68 1.57 5.75 -1.33 -1.39 115.11 119.59 2jbk h GLN 740 Ca -0.00 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2jbk h GLN 740 Cb 1.13 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.65 2jbk h GLN 740 CO 0.10 0.76 0.41 0.00 -2.65 0.00 0.00 178.83 177.46 2jbk h ALA 741 N 0.47 0.90 0.32 3.38 0.00 -0.82 -1.00 119.26 122.51 2jbk h ALA 741 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jbk h ALA 741 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jbk h ALA 741 CO 0.04 0.14 -0.16 0.00 0.00 0.00 0.00 179.25 179.27 2jbk h ALA 742 N 1.32 -0.43 -0.74 0.00 0.00 -1.27 -2.98 119.26 115.15 2jbk h ALA 742 Ca 0.29 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2jbk h ALA 742 Cb 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 2jbk h ALA 742 CO -0.13 -0.75 -0.00 0.00 0.00 0.00 0.00 179.25 178.37 2jbk h ALA 743 N 0.25 0.75 0.00 0.00 0.00 -0.54 0.64 119.26 120.36 2jbk h ALA 743 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jbk h ALA 743 Cb 0.34 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jbk h ALA 743 CO 0.07 -0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.29 2jbk n GLU 744 N -5.34 0.70 0.15 0.00 1.02 -0.45 -0.01 120.64 116.71 2jbk n GLU 744 Ca 0.13 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 2jbk n GLU 744 Cb 0.46 -1.11 0.07 0.00 -0.02 0.00 0.00 31.44 30.83 2jbk n GLU 744 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2jbk h THR 745 N 0.00 0.07 0.00 2.62 1.35 0.28 -3.30 112.91 113.93 2jbk h THR 745 Ca 0.00 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 2jbk h THR 745 Cb 0.00 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2jbk h THR 745 CO 0.00 0.04 -0.96 -0.07 -0.25 0.00 0.00 175.52 174.28 2jbk h LEU 746 N 0.00 0.00 -9.88 3.87 3.38 -0.51 -3.46 115.31 108.71 2jbk h LEU 746 Ca -0.01 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2jbk h LEU 746 Cb 1.05 0.00 0.22 0.00 0.09 0.00 0.00 40.66 42.02 2jbk h LEU 746 CO 0.01 0.04 -0.55 -1.20 0.09 0.00 0.00 178.44 176.82 2jbk n SER 747 N -2.73 -1.86 -4.77 -0.43 7.64 -1.14 -4.75 113.62 105.59 2jbk n SER 747 Ca -0.00 0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.50 2jbk n SER 747 Cb 0.57 -1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 2jbk n SER 747 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jbk s GLU 748 N -3.86 4.21 0.00 1.43 2.02 -1.26 -4.88 118.70 116.35 2jbk s GLU 748 Ca 0.61 2.23 0.27 0.00 0.02 0.00 0.00 54.97 58.09 2jbk s GLU 748 Cb -0.19 -2.96 1.48 0.00 0.10 0.00 0.00 34.13 32.56 2jbk s GLU 748 CO 0.65 -0.32 1.93 1.33 0.02 0.00 0.00 175.26 178.88 2jbk n VAL 749 N 0.55 0.08 -1.13 2.63 0.24 -1.26 -5.11 118.33 114.33 2jbk n VAL 749 Ca 0.01 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2jbk n VAL 749 Cb 0.42 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2jbk n VAL 749 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69