#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jki n HIS -4 N 0.00 0.00 -1.59 1.57 -0.00 -1.26 -4.98 115.22 108.97 2jki n HIS -4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jki n HIS -4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jki n HIS -4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jki n HIS -3 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -5.03 115.22 113.35 2jki n HIS -3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jki n HIS -3 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2jki n HIS -3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jki n HIS -2 N 13.65 0.00 -3.03 4.41 -0.00 -1.26 -5.19 115.22 123.81 2jki n HIS -2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jki n HIS -2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jki n HIS -2 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jki n HIS -1 N -1.08 -0.02 -1.14 1.57 -0.00 -1.26 -5.19 115.22 108.10 2jki n HIS -1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jki n HIS -1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jki n HIS -1 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jki n HIS 0 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -5.21 115.22 110.32 2jki n HIS 0 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jki n HIS 0 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jki n HIS 0 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2jki n MET 1 N -0.37 0.00 -0.30 -1.40 1.56 -1.26 -4.88 117.12 110.46 2jki n MET 1 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.24 2jki n MET 1 Cb 0.00 0.00 0.19 0.00 2.15 0.00 0.00 33.22 35.56 2jki n MET 1 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jki n ALA 2 N 2.03 -3.35 -3.48 -5.12 0.00 -1.26 -4.94 120.51 104.39 2jki n ALA 2 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 53.44 52.29 2jki n ALA 2 Cb 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 2jki n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jki s THR 3 N -1.87 -0.34 -0.43 0.00 -4.23 -1.26 -4.86 115.64 102.64 2jki s THR 3 Ca 0.42 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2jki s THR 3 Cb -0.07 -0.69 0.57 0.00 1.34 0.00 0.00 72.50 73.64 2jki s THR 3 CO 0.36 -0.20 1.85 1.21 -0.54 0.00 0.00 174.62 177.30 2jki n GLU 4 N 5.32 2.18 -3.05 3.99 2.13 -1.26 -5.00 120.64 124.95 2jki n GLU 4 Ca -0.05 -2.72 -0.28 0.00 0.66 0.00 0.00 57.16 54.76 2jki n GLU 4 Cb 0.50 -2.07 -0.02 0.00 0.27 0.00 0.00 31.44 30.11 2jki n GLU 4 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2jki s THR 5 N -3.16 4.94 0.10 6.31 -4.23 -1.26 -1.80 115.64 116.54 2jki s THR 5 Ca 0.52 0.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2jki s THR 5 Cb 0.43 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 2jki s THR 5 CO 0.08 -0.52 -0.13 -0.70 -0.54 0.00 0.00 174.62 172.81 2jki s GLU 6 N -3.97 0.92 -0.08 3.99 2.12 -0.07 -5.00 118.70 116.61 2jki s GLU 6 Ca 0.46 -1.15 0.04 0.00 0.36 0.00 0.00 54.97 54.68 2jki s GLU 6 Cb -0.10 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.51 2jki s GLU 6 CO 0.34 0.15 -0.20 0.99 -0.54 0.00 0.00 175.26 176.00 2jki s THR 7 N -2.01 1.71 0.12 -1.70 2.01 -1.26 -1.58 115.64 112.93 2jki s THR 7 Ca 0.05 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.32 2jki s THR 7 Cb -0.06 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2jki s THR 7 CO 0.02 0.48 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.85 2jki s PHE 8 N 0.38 1.96 -0.15 4.92 0.40 -0.42 -4.99 117.98 120.08 2jki s PHE 8 Ca -0.15 -0.41 -0.08 0.00 -0.60 0.00 0.00 56.93 55.69 2jki s PHE 8 Cb -0.16 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 2jki s PHE 8 CO 0.06 0.28 0.12 0.00 0.70 0.00 0.00 175.22 176.38 2jki s ALA 9 N -1.30 3.72 0.40 5.36 0.00 -1.26 -0.37 121.76 128.31 2jki s ALA 9 Ca 0.11 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 2jki s ALA 9 Cb -0.09 -1.99 -0.11 0.00 0.00 0.00 0.00 23.12 20.94 2jki s ALA 9 CO 0.05 0.43 1.33 1.19 0.00 0.00 0.00 175.76 178.76 2jki n PHE 10 N 2.63 2.38 -1.62 0.00 3.72 -0.67 -4.80 117.46 119.10 2jki n PHE 10 Ca -0.18 0.50 -0.37 0.00 -0.05 0.00 0.00 57.45 57.35 2jki n PHE 10 Cb 0.54 -2.42 0.08 0.00 -0.94 0.00 0.00 39.48 36.73 2jki n PHE 10 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2jki n GLN 11 N 0.22 0.95 -0.11 -1.08 -0.06 -0.52 -4.67 117.38 112.10 2jki n GLN 11 Ca 0.05 0.38 -0.04 0.00 -2.00 0.00 0.00 57.00 55.39 2jki n GLN 11 Cb 0.39 -2.46 -0.03 0.00 -4.06 0.00 0.00 30.24 24.07 2jki n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jki h ALA 12 N 0.31 -0.22 -0.83 1.69 0.00 -1.92 -0.69 119.26 117.61 2jki h ALA 12 Ca -0.50 0.03 0.20 0.00 0.00 0.00 0.00 54.91 54.64 2jki h ALA 12 Cb 1.34 1.07 -0.15 0.00 0.00 0.00 0.00 17.79 20.05 2jki h ALA 12 CO 0.52 -0.34 0.02 0.93 0.00 0.00 0.00 179.25 180.38 2jki h GLU 13 N -0.02 0.09 -0.19 0.00 3.07 -1.99 -0.01 114.58 115.52 2jki h GLU 13 Ca 0.04 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2jki h GLU 13 Cb 0.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2jki h GLU 13 CO -0.27 0.06 -0.34 0.82 -1.40 0.00 0.00 179.01 177.88 2jki h ILE 14 N 0.09 1.28 -0.63 3.13 2.04 -1.53 -1.00 117.51 120.89 2jki h ILE 14 Ca 0.47 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.94 2jki h ILE 14 Cb 0.87 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2jki h ILE 14 CO -0.73 0.43 0.42 0.78 0.00 0.00 0.00 178.15 179.05 2jki h ASN 15 N 0.33 0.72 -0.28 1.72 2.35 0.24 0.84 115.58 121.50 2jki h ASN 15 Ca 0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2jki h ASN 15 Cb 0.75 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2jki h ASN 15 CO 0.06 0.52 0.16 1.56 -1.65 0.00 0.00 177.43 178.08 2jki h GLN 16 N 0.85 0.39 0.00 0.81 4.20 -0.81 -0.46 115.11 120.08 2jki h GLN 16 Ca 0.24 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 2jki h GLN 16 Cb -0.08 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jki h GLN 16 CO -0.06 0.32 -0.00 1.25 -0.67 0.00 0.00 178.83 179.67 2jki h LEU 17 N 0.35 -0.00 -1.77 1.46 5.85 -0.97 -1.42 115.31 118.81 2jki h LEU 17 Ca 0.10 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.91 2jki h LEU 17 Cb 0.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jki h LEU 17 CO -0.02 0.03 0.38 -0.07 -0.34 0.00 0.00 178.44 178.42 2jki h LEU 18 N -0.03 0.23 0.47 2.25 3.38 -0.55 0.01 115.31 121.07 2jki h LEU 18 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jki h LEU 18 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jki h LEU 18 CO 0.00 0.13 -0.23 -1.28 0.09 0.00 0.00 178.44 177.16 2jki h SER 19 N 0.25 -0.53 -0.94 -0.43 0.87 -0.21 -2.24 113.55 110.32 2jki h SER 19 Ca 0.26 -0.06 0.25 0.00 -1.23 0.00 0.00 61.79 61.01 2jki h SER 19 Cb 0.70 0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 62.62 2jki h SER 19 CO -0.05 -0.13 0.02 -0.07 -0.53 0.00 0.00 176.83 176.07 2jki h LEU 20 N -1.06 -0.46 0.14 2.23 3.38 -0.66 0.10 115.31 118.98 2jki h LEU 20 Ca -0.06 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2jki h LEU 20 Cb 0.57 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2jki h LEU 20 CO 0.11 -0.31 -0.07 0.40 0.09 0.00 0.00 178.44 178.66 2jki h ILE 21 N 0.04 0.90 -0.01 1.22 1.08 -0.98 -2.66 117.51 117.10 2jki h ILE 21 Ca 0.55 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.87 2jki h ILE 21 Cb 1.10 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2jki h ILE 21 CO -0.87 0.04 -0.33 0.00 -0.69 0.00 0.00 178.15 176.30 2jki n ILE 22 N -5.14 0.00 -0.00 -0.67 3.06 -0.69 -4.18 119.36 111.73 2jki n ILE 22 Ca -0.08 -0.15 0.02 0.00 -2.50 0.00 0.00 62.75 60.03 2jki n ILE 22 Cb 0.12 0.58 -0.03 0.00 0.54 0.00 0.00 39.64 40.86 2jki n ILE 22 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2jki n ASN 23 N -0.57 4.11 -4.87 9.51 3.02 0.28 -4.99 115.26 121.74 2jki n ASN 23 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 2jki n ASN 23 Cb 0.37 1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 40.60 2jki n ASN 23 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jki s THR 24 N -2.25 5.14 -0.38 3.41 2.01 -1.01 -5.04 115.64 117.52 2jki s THR 24 Ca -0.01 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.18 2jki s THR 24 Cb 0.02 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2jki s THR 24 CO 0.16 0.33 0.75 0.12 -0.69 0.00 0.00 174.62 175.30 2jki s PHE 25 N -1.34 3.09 0.22 4.92 2.19 -1.26 -4.89 117.98 120.91 2jki s PHE 25 Ca 0.31 0.43 0.06 0.00 0.33 0.00 0.00 56.93 58.05 2jki s PHE 25 Cb -0.14 -3.40 -0.04 0.00 -1.31 0.00 0.00 43.02 38.13 2jki s PHE 25 CO 0.17 -0.77 0.22 0.71 1.83 0.00 0.00 175.22 177.38 2jki s TYR 26 N 3.06 3.21 -0.16 10.12 1.51 -1.26 -5.06 117.35 128.77 2jki s TYR 26 Ca 0.30 -0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 56.09 2jki s TYR 26 Cb -0.13 -1.48 -0.23 0.00 -0.11 0.00 0.00 41.96 40.01 2jki s TYR 26 CO 0.18 0.51 0.45 0.77 -1.11 0.00 0.00 175.55 176.34 2jki h SER 27 N 1.69 0.13 -0.68 2.29 0.02 -2.04 -3.41 113.55 111.55 2jki h SER 27 Ca -0.49 -0.74 -0.62 0.00 -0.84 0.00 0.00 61.79 59.10 2jki h SER 27 Cb 1.23 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 2jki h SER 27 CO 0.62 1.43 2.21 0.59 -1.14 0.00 0.00 176.83 180.55 2jki n ASN 28 N -4.29 7.71 0.21 3.07 3.02 -1.26 -4.63 115.26 119.09 2jki n ASN 28 Ca -0.25 -2.91 0.08 0.00 -0.03 0.00 0.00 54.58 51.47 2jki n ASN 28 Cb 0.72 -1.41 0.42 0.00 -0.61 0.00 0.00 39.78 38.90 2jki n ASN 28 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2jki h LYS 29 N 4.29 0.00 0.00 3.52 1.57 -1.97 -3.22 116.57 120.76 2jki h LYS 29 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2jki h LYS 29 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2jki h LYS 29 CO 1.34 0.28 0.00 -0.85 -0.57 0.00 0.00 179.45 179.64 2jki n GLU 30 N -3.45 0.14 0.00 3.15 -0.00 -1.26 -1.90 120.64 117.32 2jki n GLU 30 Ca -0.00 0.59 0.10 0.00 -0.00 0.00 0.00 57.16 57.85 2jki n GLU 30 Cb 0.46 -1.92 0.62 0.00 -0.00 0.00 0.00 31.44 30.59 2jki n GLU 30 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2jki n ILE 31 N -2.22 0.00 -0.26 3.84 -6.64 -1.22 -2.92 119.36 109.95 2jki n ILE 31 Ca -0.01 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.91 2jki n ILE 31 Cb 0.07 -0.56 0.05 0.00 -1.44 0.00 0.00 39.64 37.76 2jki n ILE 31 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 2jki h PHE 32 N 0.00 1.03 -0.23 4.28 -0.00 -1.67 -1.71 116.94 118.64 2jki h PHE 32 Ca 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.97 57.85 2jki h PHE 32 Cb 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.95 35.62 2jki h PHE 32 CO 0.00 0.77 -0.13 1.25 -0.00 0.00 0.00 178.31 180.19 2jki h LEU 33 N 0.99 0.37 -0.05 2.10 5.85 -1.81 -1.12 115.31 121.64 2jki h LEU 33 Ca 0.24 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jki h LEU 33 Cb 0.13 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jki h LEU 33 CO -0.03 0.54 0.03 -0.09 -0.34 0.00 0.00 178.44 178.55 2jki h ARG 34 N 0.36 0.08 -0.27 1.25 2.43 -1.61 -0.67 114.38 115.95 2jki h ARG 34 Ca 0.07 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2jki h ARG 34 Cb 0.46 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2jki h ARG 34 CO 0.03 0.17 0.04 0.93 -1.51 0.00 0.00 179.97 179.62 2jki h GLU 35 N -0.04 0.39 0.05 0.20 4.39 -0.74 0.13 114.58 118.97 2jki h GLU 35 Ca 0.02 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2jki h GLU 35 Cb 0.12 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2jki h GLU 35 CO -0.00 0.39 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.86 2jki h LEU 36 N 0.38 0.16 -1.12 1.33 3.38 -1.09 -0.93 115.31 117.42 2jki h LEU 36 Ca 0.09 -0.97 0.09 0.00 0.09 0.00 0.00 57.88 57.17 2jki h LEU 36 Cb 0.20 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2jki h LEU 36 CO 0.00 1.15 0.60 0.40 0.09 0.00 0.00 178.44 180.68 2jki h ILE 37 N -0.79 1.00 0.69 1.22 2.04 -0.97 -0.26 117.51 120.45 2jki h ILE 37 Ca -0.06 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2jki h ILE 37 Cb 1.23 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2jki h ILE 37 CO 0.05 0.18 -0.33 -1.28 0.00 0.00 0.00 178.15 176.77 2jki h SER 38 N 0.99 -0.78 -0.49 1.72 0.87 -0.71 -0.01 113.55 115.13 2jki h SER 38 Ca 0.42 0.03 0.14 0.00 -1.23 0.00 0.00 61.79 61.15 2jki h SER 38 Cb 0.33 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2jki h SER 38 CO -0.18 -0.45 0.58 0.78 -0.53 0.00 0.00 176.83 177.03 2jki h ASN 39 N -1.14 0.00 0.51 6.23 2.35 -0.64 1.09 115.58 123.98 2jki h ASN 39 Ca -0.09 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.36 2jki h ASN 39 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2jki h ASN 39 CO 0.16 0.00 -1.39 -1.28 -1.65 0.00 0.00 177.43 173.26 2jki h SER 40 N 0.00 0.47 0.70 5.81 0.87 -0.77 -2.86 113.55 117.77 2jki h SER 40 Ca 0.23 -0.56 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 2jki h SER 40 Cb 1.40 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2jki h SER 40 CO -0.00 1.45 -0.34 -1.28 -0.53 0.00 0.00 176.83 176.13 2jki h SER 41 N 0.08 -0.79 -1.10 6.23 0.87 0.31 -2.68 113.55 116.47 2jki h SER 41 Ca -0.20 0.01 0.39 0.00 -1.23 0.00 0.00 61.79 60.77 2jki h SER 41 Cb 2.02 0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 64.03 2jki h SER 41 CO 0.20 -0.53 0.65 0.44 -0.53 0.00 0.00 176.83 177.06 2jki h ASP 42 N -0.99 0.36 -0.20 6.23 3.45 -1.13 0.54 116.42 124.68 2jki h ASP 42 Ca -0.10 0.20 -0.18 0.00 0.43 0.00 0.00 57.03 57.38 2jki h ASP 42 Cb 0.73 0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.68 2jki h ASP 42 CO 0.16 -0.26 -0.54 0.00 -1.57 0.00 0.00 179.24 177.03 2jki h ALA 43 N 1.82 0.54 -0.38 3.45 0.00 -1.30 -2.87 119.26 120.53 2jki h ALA 43 Ca 0.80 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2jki h ALA 43 Cb 2.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 2jki h ALA 43 CO -0.60 0.68 0.06 -0.07 0.00 0.00 0.00 179.25 179.32 2jki h LEU 44 N 0.61 0.60 -0.75 0.00 3.38 0.34 -1.94 115.31 117.55 2jki h LEU 44 Ca 0.02 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 57.90 2jki h LEU 44 Cb 1.12 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 2jki h LEU 44 CO 0.11 0.71 0.12 0.44 0.09 0.00 0.00 178.44 179.91 2jki h ASP 45 N 0.47 -0.12 -0.05 -0.43 3.45 -1.01 -1.18 116.42 117.55 2jki h ASP 45 Ca 0.11 0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.74 2jki h ASP 45 Cb 0.36 0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 2jki h ASP 45 CO 0.01 -0.10 0.02 0.11 -1.57 0.00 0.00 179.24 177.70 2jki h LYS 46 N 0.20 0.07 0.00 3.56 1.57 -1.21 -0.46 116.57 120.29 2jki h LYS 46 Ca 0.43 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 2jki h LYS 46 Cb 0.76 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2jki h LYS 46 CO -0.58 0.21 -0.07 0.97 -0.57 0.00 0.00 179.45 179.41 2jki h ILE 47 N -0.09 0.28 0.09 1.86 6.09 -1.27 -1.09 117.51 123.38 2jki h ILE 47 Ca 0.02 -0.50 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2jki h ILE 47 Cb 0.17 1.38 0.00 0.00 0.47 0.00 0.00 36.82 38.84 2jki h ILE 47 CO -0.00 0.07 -0.04 -0.09 -3.07 0.00 0.00 178.15 175.02 2jki h ARG 48 N 0.00 -0.11 -0.71 2.19 2.43 -0.25 -2.95 114.38 114.98 2jki h ARG 48 Ca -0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2jki h ARG 48 Cb 0.38 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2jki h ARG 48 CO 0.01 0.42 0.43 0.35 -1.51 0.00 0.00 179.97 179.67 2jki h PHE 49 N -0.77 0.81 0.00 2.20 3.04 -0.88 0.16 116.94 121.50 2jki h PHE 49 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2jki h PHE 49 Cb 0.58 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.83 2jki h PHE 49 CO 0.12 0.43 0.00 0.93 -2.02 0.00 0.00 178.31 177.77 2jki h GLU 50 N 0.83 0.00 0.00 1.11 5.08 -1.27 -2.47 114.58 117.86 2jki h GLU 50 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jki h GLU 50 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jki h GLU 50 CO -0.14 0.00 -0.94 -1.13 -1.00 0.00 0.00 179.01 175.80 2jki n SER 51 N -2.69 0.93 -0.14 1.42 3.41 0.54 -4.01 113.62 113.09 2jki n SER 51 Ca -0.02 -0.90 -0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2jki n SER 51 Cb 0.06 0.91 0.26 0.00 -0.26 0.00 0.00 64.21 65.18 2jki n SER 51 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jki h LEU 52 N 0.00 0.75 -4.63 1.04 3.38 -1.09 -3.08 115.31 111.68 2jki h LEU 52 Ca 0.00 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.30 2jki h LEU 52 Cb 0.50 -0.19 -0.41 0.00 0.09 0.00 0.00 40.66 40.66 2jki h LEU 52 CO 0.00 0.62 -0.55 0.35 0.09 0.00 0.00 178.44 178.95 2jki n THR 53 N -4.37 2.55 0.00 0.22 -2.24 -1.26 -4.76 114.28 104.42 2jki n THR 53 Ca 0.06 -4.94 0.00 0.00 -2.27 0.00 0.00 64.05 56.90 2jki n THR 53 Cb 0.11 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2jki n THR 53 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jki n ASP 54 N -0.47 0.00 0.14 3.42 -0.08 -1.17 -5.03 116.55 113.36 2jki n ASP 54 Ca 0.40 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.86 2jki n ASP 54 Cb 0.60 0.00 0.63 0.00 2.34 0.00 0.00 41.12 44.70 2jki n ASP 54 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2jki h LYS 55 N 0.00 0.00 0.00 -0.67 2.10 -1.86 -0.25 116.57 115.89 2jki h LYS 55 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jki h LYS 55 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jki h LYS 55 CO 0.00 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.32 2jki n SER 56 N -3.26 0.00 0.04 7.07 3.41 -1.26 -3.50 113.62 116.11 2jki n SER 56 Ca 0.07 -1.26 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 2jki n SER 56 Cb 0.75 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.72 2jki n SER 56 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jki h LYS 57 N 0.00 0.47 -0.64 4.33 1.79 -1.38 -3.07 116.57 118.07 2jki h LYS 57 Ca 0.00 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2jki h LYS 57 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2jki h LYS 57 CO 0.00 0.99 0.00 1.28 -1.08 0.00 0.00 179.45 180.64 2jki n LEU 58 N -3.87 3.66 -0.34 2.94 4.32 -1.23 -4.35 117.00 118.14 2jki n LEU 58 Ca -0.04 -1.84 0.09 0.00 -0.02 0.00 0.00 56.01 54.20 2jki n LEU 58 Cb 0.69 -0.46 0.26 0.00 -1.62 0.00 0.00 43.42 42.29 2jki n LEU 58 CO 0.48 0.82 1.18 0.44 -1.22 0.00 0.00 177.39 179.10 2jki h ASP 59 N 3.71 0.77 -0.15 -1.43 5.19 -1.73 -0.85 116.42 121.93 2jki h ASP 59 Ca 0.00 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.53 2jki h ASP 59 Cb 0.98 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 2jki h ASP 59 CO 0.06 0.35 0.28 0.00 -3.12 0.00 0.00 179.24 176.80 2jki h ALA 60 N 1.57 1.62 0.00 3.45 0.00 -1.83 -3.39 119.26 120.68 2jki h ALA 60 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2jki h ALA 60 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jki h ALA 60 CO -0.33 -0.36 0.00 0.94 0.00 0.00 0.00 179.25 179.51 2jki n GLN 61 N -3.38 0.00 0.15 0.00 0.00 -0.38 -4.50 117.38 109.27 2jki n GLN 61 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.14 2jki n GLN 61 Cb 0.38 0.00 0.36 0.00 0.00 0.00 0.00 30.24 30.98 2jki n GLN 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2jki h PRO 62 N 0.00 0.00 -5.64 3.69 0.11 -1.61 -3.45 132.00 125.10 2jki h PRO 62 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2jki h PRO 62 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2jki h PRO 62 CO 0.00 0.00 -0.03 -1.21 -0.21 0.00 0.00 178.00 176.55 2jki s GLU 63 N -3.19 4.25 -0.43 1.05 2.02 -1.26 -5.02 118.70 116.11 2jki s GLU 63 Ca 0.08 0.48 -0.25 0.00 0.02 0.00 0.00 54.97 55.31 2jki s GLU 63 Cb 0.10 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.82 2jki s GLU 63 CO 0.60 -0.07 0.90 -0.51 0.02 0.00 0.00 175.26 176.20 2jki s LEU 64 N 1.37 4.03 0.23 1.80 1.43 -1.26 -4.70 118.68 121.58 2jki s LEU 64 Ca 0.26 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 2jki s LEU 64 Cb -0.16 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2jki s LEU 64 CO 0.10 -0.97 0.44 0.72 0.23 0.00 0.00 176.35 176.87 2jki s PHE 65 N 3.61 0.40 -0.06 0.29 -0.12 -1.26 -4.51 117.98 116.33 2jki s PHE 65 Ca 0.36 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.49 2jki s PHE 65 Cb -0.11 0.12 0.03 0.00 -0.63 0.00 0.00 43.02 42.43 2jki s PHE 65 CO 0.24 -0.94 -0.02 0.42 -0.05 0.00 0.00 175.22 174.86 2jki s ILE 66 N -4.02 0.48 -0.07 -4.49 1.01 -0.82 -2.52 121.20 110.76 2jki s ILE 66 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.92 2jki s ILE 66 Cb 0.00 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 2jki s ILE 66 CO 0.08 0.25 -0.19 -1.00 0.00 0.00 0.00 174.94 174.08 2jki s HIS 67 N 1.55 2.60 -0.17 3.97 3.76 0.46 -1.31 115.29 126.15 2jki s HIS 67 Ca -0.01 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2jki s HIS 67 Cb -0.13 -1.66 -0.00 0.00 1.11 0.00 0.00 32.58 31.90 2jki s HIS 67 CO -0.03 -0.09 -0.12 0.42 -0.85 0.00 0.00 174.74 174.06 2jki s ILE 68 N -0.23 2.84 -0.33 0.60 1.01 0.13 -1.41 121.20 123.81 2jki s ILE 68 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2jki s ILE 68 Cb -0.13 -2.23 0.11 0.00 0.01 0.00 0.00 42.46 40.22 2jki s ILE 68 CO 0.03 0.49 0.12 -0.63 0.00 0.00 0.00 174.94 174.95 2jki s ILE 69 N 1.00 1.03 -0.39 2.92 1.01 0.17 -1.22 121.20 125.73 2jki s ILE 69 Ca -0.01 -1.66 -0.21 0.00 0.00 0.00 0.00 60.65 58.76 2jki s ILE 69 Cb -0.15 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.56 2jki s ILE 69 CO -0.02 -0.72 0.69 -2.16 0.00 0.00 0.00 174.94 172.74 2jki s PRO 70 N 1.35 3.59 -0.46 2.79 0.05 -1.26 -2.30 135.00 138.76 2jki s PRO 70 Ca 0.11 0.02 -0.16 0.00 0.05 0.00 0.00 61.00 61.02 2jki s PRO 70 Cb -0.19 -3.85 0.05 0.00 0.05 0.00 0.00 34.50 30.56 2jki s PRO 70 CO -0.19 -0.87 0.44 0.34 0.05 0.00 0.00 177.00 176.77 2jki s ASP 71 N 1.89 6.17 0.26 6.66 2.15 0.74 -4.80 116.67 129.74 2jki s ASP 71 Ca 0.27 -1.05 -0.03 0.00 0.43 0.00 0.00 52.55 52.17 2jki s ASP 71 Cb -0.14 -2.21 0.40 0.00 -0.30 0.00 0.00 42.92 40.67 2jki s ASP 71 CO 0.17 -0.65 1.87 0.11 -0.17 0.00 0.00 175.17 176.50 2jki h LYS 72 N 8.78 1.07 0.31 4.34 1.79 -1.91 -0.74 116.57 130.22 2jki h LYS 72 Ca -0.28 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.12 2jki h LYS 72 Cb 1.11 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2jki h LYS 72 CO 0.86 0.71 -0.27 0.00 -1.08 0.00 0.00 179.45 179.67 2jki h ALA 73 N 1.45 -1.01 -0.00 3.86 0.00 -1.96 -3.03 119.26 118.58 2jki h ALA 73 Ca 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jki h ALA 73 Cb 0.20 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jki h ALA 73 CO -0.18 -1.01 -0.06 0.25 0.00 0.00 0.00 179.25 178.25 2jki n THR 74 N -4.00 0.00 -3.05 0.00 -2.24 -1.22 -4.93 114.28 98.83 2jki n THR 74 Ca -0.07 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 2jki n THR 74 Cb 0.25 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.18 2jki n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jki n SER 75 N -1.33 -2.36 -3.97 3.42 7.64 -0.34 -4.87 113.62 111.82 2jki n SER 75 Ca 0.11 -0.47 -0.24 0.00 1.01 0.00 0.00 58.87 59.28 2jki n SER 75 Cb 0.29 -4.00 -0.17 0.00 -1.01 0.00 0.00 64.21 59.32 2jki n SER 75 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jki s THR 76 N -3.27 0.96 -0.08 0.44 -4.23 -0.88 -1.76 115.64 106.81 2jki s THR 76 Ca 0.03 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 2jki s THR 76 Cb -0.00 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 2jki s THR 76 CO 0.55 0.33 0.43 -0.22 -0.54 0.00 0.00 174.62 175.17 2jki s LEU 77 N 0.95 4.34 -0.02 4.79 2.96 -0.79 -0.19 118.68 130.72 2jki s LEU 77 Ca -0.10 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2jki s LEU 77 Cb -0.15 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.93 2jki s LEU 77 CO 0.00 0.12 -0.03 0.28 -1.32 0.00 0.00 176.35 175.40 2jki s THR 78 N 0.06 0.30 -0.08 3.68 -1.32 -0.97 0.21 115.64 117.52 2jki s THR 78 Ca 0.24 -0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.69 2jki s THR 78 Cb -0.15 -0.31 -0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2jki s THR 78 CO 0.10 0.13 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.79 2jki s ILE 79 N 0.43 1.92 -0.01 5.08 1.01 0.28 -0.65 121.20 129.25 2jki s ILE 79 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2jki s ILE 79 Cb -0.08 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 2jki s ILE 79 CO -0.01 0.53 -0.09 0.54 0.00 0.00 0.00 174.94 175.91 2jki s VAL 80 N 0.26 0.75 0.17 2.92 0.11 -0.50 -0.06 120.40 124.05 2jki s VAL 80 Ca -0.15 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2jki s VAL 80 Cb -0.17 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 2jki s VAL 80 CO 0.07 0.21 -0.05 1.51 -3.33 0.00 0.00 175.10 173.51 2jki s ASP 81 N -0.18 1.65 -0.53 3.54 1.47 -0.35 -0.40 116.67 121.86 2jki s ASP 81 Ca 0.03 -1.09 0.02 0.00 1.18 0.00 0.00 52.55 52.68 2jki s ASP 81 Cb -0.04 0.03 0.50 0.00 -0.34 0.00 0.00 42.92 43.06 2jki s ASP 81 CO -0.00 -0.43 1.82 -1.54 0.68 0.00 0.00 175.17 175.69 2jki n SER 82 N -0.25 6.02 -2.79 2.11 3.41 -1.05 -2.45 113.62 118.62 2jki n SER 82 Ca -0.08 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2jki n SER 82 Cb 0.62 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2jki n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jki n GLY 83 N -0.95 -2.16 0.24 5.00 0.00 -1.26 -4.71 105.19 101.35 2jki n GLY 83 Ca 0.56 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 45.25 2jki n GLY 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jki h ILE 84 N -1.09 0.29 0.00 -0.61 2.10 -1.67 -3.22 117.51 113.31 2jki h ILE 84 Ca 0.00 -0.90 0.00 0.00 1.08 0.00 0.00 64.86 65.04 2jki h ILE 84 Cb 0.00 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2jki h ILE 84 CO 0.00 0.12 0.00 0.61 -1.08 0.00 0.00 178.15 177.80 2jki n GLY 85 N 0.22 -1.39 3.23 8.18 0.00 -1.26 -4.39 105.19 109.78 2jki n GLY 85 Ca 0.01 -1.54 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 2jki n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jki s MET 86 N -1.21 1.57 0.85 1.61 1.00 -1.26 -4.81 119.30 117.05 2jki s MET 86 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 55.69 54.76 2jki s MET 86 Cb 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 34.83 33.36 2jki s MET 86 CO 0.00 0.42 1.18 0.95 0.00 0.00 0.00 175.02 177.57 2jki s THR 87 N -0.59 1.99 0.14 2.05 -4.23 -1.26 -3.45 115.64 110.30 2jki s THR 87 Ca 0.08 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.43 2jki s THR 87 Cb -0.08 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2jki s THR 87 CO 0.00 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.33 2jki h LYS 88 N -1.24 0.55 -1.00 3.99 3.64 -1.96 -1.36 116.57 119.19 2jki h LYS 88 Ca -0.47 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 58.96 2jki h LYS 88 Cb 1.32 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 2jki h LYS 88 CO 0.62 0.45 0.63 1.03 -2.27 0.00 0.00 179.45 179.90 2jki h SER 89 N 0.51 0.93 -0.56 4.20 0.87 -1.99 -0.16 113.55 117.34 2jki h SER 89 Ca 0.14 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2jki h SER 89 Cb 0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2jki h SER 89 CO -0.02 0.50 0.25 0.44 -0.53 0.00 0.00 176.83 177.47 2jki h ASP 90 N 1.00 0.75 0.16 6.23 3.32 -1.68 -1.55 116.42 124.65 2jki h ASP 90 Ca 0.49 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2jki h ASP 90 Cb 0.45 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2jki h ASP 90 CO -0.26 0.69 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.72 2jki h LEU 91 N 0.76 -0.43 -1.74 1.55 3.38 -0.02 0.68 115.31 119.49 2jki h LEU 91 Ca 0.19 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2jki h LEU 91 Cb 0.16 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2jki h LEU 91 CO -0.02 -0.24 -0.04 0.58 0.09 0.00 0.00 178.44 178.80 2jki h VAL 92 N -0.35 1.08 0.13 1.22 2.07 -1.13 -2.11 116.25 117.17 2jki h VAL 92 Ca 0.00 -0.34 -0.34 0.00 0.82 0.00 0.00 66.70 66.84 2jki h VAL 92 Cb 0.33 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2jki h VAL 92 CO -0.05 0.11 -1.74 0.78 0.02 0.00 0.00 177.57 176.70 2jki h ASN 93 N 0.11 0.44 0.07 0.57 2.35 -0.71 -2.99 115.58 115.43 2jki h ASN 93 Ca 0.03 -0.73 -0.37 0.00 -0.55 0.00 0.00 56.30 54.68 2jki h ASN 93 Cb 0.15 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2jki h ASN 93 CO 0.01 1.63 -2.11 0.59 -1.65 0.00 0.00 177.43 175.90 2jki n ASN 94 N -3.47 2.05 -2.14 5.81 5.03 0.18 -3.11 115.26 119.61 2jki n ASN 94 Ca -0.23 0.13 -0.22 0.00 0.87 0.00 0.00 54.58 55.13 2jki n ASN 94 Cb 1.06 -0.74 0.01 0.00 -1.02 0.00 0.00 39.78 39.09 2jki n ASN 94 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2jki n LEU 95 N -3.55 6.60 0.00 3.41 4.77 -0.80 -4.70 117.00 122.74 2jki n LEU 95 Ca -0.37 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 2jki n LEU 95 Cb 0.99 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2jki n LEU 95 CO 0.34 1.42 0.00 0.61 -1.33 0.00 0.00 177.39 178.43 2jki n GLY 96 N 0.39 0.62 0.12 -0.72 0.00 -1.26 -4.93 105.19 99.42 2jki n GLY 96 Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 2jki n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jki n THR 97 N 0.00 1.56 -3.82 2.61 -1.04 -1.13 -1.44 114.28 111.02 2jki n THR 97 Ca 0.00 -0.67 -0.37 0.00 -2.04 0.00 0.00 64.05 60.98 2jki n THR 97 Cb 0.00 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 2jki n THR 97 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jki s ILE 98 N -2.53 5.46 -0.43 12.58 -1.09 -1.18 -4.53 121.20 129.48 2jki s ILE 98 Ca -0.24 0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.35 2jki s ILE 98 Cb 0.08 -3.44 0.09 0.00 -1.58 0.00 0.00 42.46 37.61 2jki s ILE 98 CO 0.71 0.58 0.27 0.00 -1.23 0.00 0.00 174.94 175.27 2jki s ALA 99 N -0.76 3.29 0.99 9.38 0.00 -1.26 -4.88 121.76 128.52 2jki s ALA 99 Ca 0.14 -2.28 -0.11 0.00 0.00 0.00 0.00 51.96 49.72 2jki s ALA 99 Cb -0.12 -2.65 0.19 0.00 0.00 0.00 0.00 23.12 20.54 2jki s ALA 99 CO 0.03 -1.72 1.11 1.03 0.00 0.00 0.00 175.76 176.22 2jki s ARG 100 N 1.37 0.45 0.27 0.00 0.52 -1.26 -4.88 118.95 115.41 2jki s ARG 100 Ca 0.04 1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 56.57 2jki s ARG 100 Cb -0.24 -1.68 0.34 0.00 0.52 0.00 0.00 34.95 33.90 2jki s ARG 100 CO 0.01 -2.96 1.86 0.66 0.02 0.00 0.00 175.30 174.89 2jki h SER 101 N -2.10 0.94 -0.00 0.23 4.64 -1.96 -2.05 113.55 113.25 2jki h SER 101 Ca -0.48 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2jki h SER 101 Cb 1.29 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2jki h SER 101 CO 0.44 0.80 0.10 1.23 -0.87 0.00 0.00 176.83 178.53 2jki h GLY 102 N 1.09 0.00 0.97 -0.77 0.00 -1.91 -2.90 103.07 99.55 2jki h GLY 102 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2jki h GLY 102 CO -0.03 0.00 -0.30 -0.84 0.00 0.00 0.00 176.54 175.37 2jki h THR 103 N 0.00 0.38 0.08 4.70 2.02 -1.51 0.40 112.91 118.98 2jki h THR 103 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2jki h THR 103 Cb 0.19 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2jki h THR 103 CO -0.00 0.01 -0.04 0.50 0.37 0.00 0.00 175.52 176.36 2jki h LYS 104 N -0.87 -0.10 -0.68 6.66 3.64 -1.71 -2.63 116.57 120.89 2jki h LYS 104 Ca -0.08 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 2jki h LYS 104 Cb 0.65 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.38 2jki h LYS 104 CO 0.14 0.13 -0.42 0.93 -2.27 0.00 0.00 179.45 177.96 2jki h GLU 105 N -0.32 -0.16 -0.21 1.90 5.08 -1.42 -1.68 114.58 117.78 2jki h GLU 105 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2jki h GLU 105 Cb 0.27 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2jki h GLU 105 CO 0.02 -0.10 -0.40 0.35 -1.00 0.00 0.00 179.01 177.87 2jki h PHE 106 N -0.16 -1.15 -0.69 4.33 3.57 -0.10 -1.00 116.94 121.75 2jki h PHE 106 Ca 0.22 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.85 2jki h PHE 106 Cb 0.56 0.53 -0.06 0.00 2.79 0.00 0.00 35.95 39.76 2jki h PHE 106 CO -0.74 -0.45 0.36 0.52 -2.23 0.00 0.00 178.31 175.76 2jki h MET 107 N -0.43 0.61 0.05 1.11 2.86 -1.01 0.40 114.93 118.52 2jki h MET 107 Ca 0.10 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2jki h MET 107 Cb 0.60 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2jki h MET 107 CO -0.44 0.40 -0.26 0.93 1.06 0.00 0.00 176.91 178.60 2jki h GLU 108 N 0.63 -0.42 -0.82 1.72 5.08 -0.85 -1.76 114.58 118.16 2jki h GLU 108 Ca 0.33 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.83 2jki h GLU 108 Cb 0.30 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 2jki h GLU 108 CO -0.24 -0.28 0.44 0.00 -1.00 0.00 0.00 179.01 177.94 2jki h ALA 109 N 0.34 1.19 -0.19 3.43 0.00 -0.28 -0.19 119.26 123.55 2jki h ALA 109 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jki h ALA 109 Cb 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2jki h ALA 109 CO -0.20 -0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 178.91 2jki h LEU 110 N 0.69 -0.24 -0.79 0.00 3.38 0.32 -0.64 115.31 118.03 2jki h LEU 110 Ca 0.42 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.34 2jki h LEU 110 Cb 0.49 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2jki h LEU 110 CO -0.30 -0.09 -0.33 0.00 0.09 0.00 0.00 178.44 177.81 2jki h ALA 111 N 1.15 0.97 0.00 1.53 0.00 -0.55 -0.18 119.26 122.18 2jki h ALA 111 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jki h ALA 111 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jki h ALA 111 CO -0.22 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2jki n ALA 112 N -2.49 1.91 -1.95 0.00 0.00 -0.16 -4.79 120.51 113.03 2jki n ALA 112 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jki n ALA 112 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2jki n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jki n GLY 113 N -0.07 0.73 3.92 0.00 0.00 -0.09 -5.03 105.19 104.65 2jki n GLY 113 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2jki n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jki s ALA 114 N -2.36 3.07 -0.10 4.61 0.00 -0.29 -5.00 121.76 121.68 2jki s ALA 114 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2jki s ALA 114 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2jki s ALA 114 CO 0.00 -1.35 0.13 0.34 0.00 0.00 0.00 175.76 174.88 2jki s ASP 115 N -4.52 6.23 0.64 0.00 2.15 -1.26 -4.72 116.67 115.18 2jki s ASP 115 Ca 0.60 0.40 0.35 0.00 0.43 0.00 0.00 52.55 54.34 2jki s ASP 115 Cb -0.11 -1.98 1.94 0.00 -0.30 0.00 0.00 42.92 42.48 2jki s ASP 115 CO 0.46 0.38 2.16 1.62 -0.17 0.00 0.00 175.17 179.62 2jki h VAL 116 N 3.82 0.18 0.00 1.11 3.04 -1.96 0.18 116.25 122.61 2jki h VAL 116 Ca -0.54 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2jki h VAL 116 Cb 1.22 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2jki h VAL 116 CO 0.59 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.61 2jki n SER 117 N -3.30 0.44 -0.00 3.17 3.41 -1.26 -1.02 113.62 115.06 2jki n SER 117 Ca -0.01 0.68 0.16 0.00 -0.26 0.00 0.00 58.87 59.43 2jki n SER 117 Cb 0.24 -0.74 0.90 0.00 -0.26 0.00 0.00 64.21 64.34 2jki n SER 117 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2jki n MET 118 N -2.06 0.86 0.09 4.33 2.81 0.05 -3.92 117.12 119.28 2jki n MET 118 Ca -0.00 -0.00 0.20 0.00 -1.81 0.00 0.00 57.70 56.08 2jki n MET 118 Cb 0.07 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 31.84 2jki n MET 118 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2jki h ILE 119 N 0.01 0.50 0.11 2.02 2.10 -1.28 -0.32 117.51 120.64 2jki h ILE 119 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 2jki h ILE 119 Cb 0.07 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 2jki h ILE 119 CO 0.00 0.00 -0.05 1.23 -1.08 0.00 0.00 178.15 178.25 2jki h GLY 120 N 0.00 -0.15 1.88 8.18 0.00 -1.83 -3.08 103.07 108.07 2jki h GLY 120 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2jki h GLY 120 CO -0.00 -0.05 0.05 1.46 0.00 0.00 0.00 176.54 177.99 2jki h GLN 121 N -0.74 0.00 -0.68 4.80 4.20 -1.33 -1.03 115.11 120.33 2jki h GLN 121 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2jki h GLN 121 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2jki h GLN 121 CO 0.02 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 2jki n PHE 122 N -2.57 0.90 -1.44 2.96 3.72 -1.10 -4.96 117.46 114.97 2jki n PHE 122 Ca -0.02 -0.45 -0.02 0.00 -0.05 0.00 0.00 57.45 56.91 2jki n PHE 122 Cb 0.10 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2jki n PHE 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jki n GLY 123 N 1.65 0.43 1.98 1.37 0.00 -0.39 -3.93 105.19 106.29 2jki n GLY 123 Ca 0.24 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 2jki n GLY 123 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jki n VAL 124 N -3.36 1.42 -0.25 1.61 0.24 -1.17 -4.90 118.33 111.91 2jki n VAL 124 Ca -0.02 -2.83 0.15 0.00 -2.04 0.00 0.00 64.34 59.60 2jki n VAL 124 Cb 0.24 0.41 0.43 0.00 -1.47 0.00 0.00 33.84 33.45 2jki n VAL 124 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2jki h GLY 125 N 1.88 1.08 0.39 7.63 0.00 -1.77 -2.92 103.07 109.36 2jki h GLY 125 Ca -0.02 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.17 2jki h GLY 125 CO 0.27 0.04 0.41 -2.75 0.00 0.00 0.00 176.54 174.51 2jki h PHE 126 N 0.57 0.72 0.00 5.60 3.57 -1.91 -1.49 116.94 124.01 2jki h PHE 126 Ca 0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.99 2jki h PHE 126 Cb 0.90 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2jki h PHE 126 CO -0.00 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.97 2jki n TYR 127 N -4.84 0.00 0.26 0.41 4.01 -1.10 -2.17 117.16 113.73 2jki n TYR 127 Ca 0.14 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.06 2jki n TYR 127 Cb 0.33 -0.48 0.91 0.00 -0.31 0.00 0.00 39.34 39.79 2jki n TYR 127 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jki h SER 128 N 0.00 0.00 -0.79 7.72 4.64 -1.43 -0.14 113.55 123.56 2jki h SER 128 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2jki h SER 128 Cb 0.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 2jki h SER 128 CO 0.00 0.00 0.52 0.00 -0.87 0.00 0.00 176.83 176.48 2jki h ALA 129 N 1.71 1.93 0.00 5.18 0.00 -1.64 -0.13 119.26 126.32 2jki h ALA 129 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jki h ALA 129 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jki h ALA 129 CO -0.00 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 179.78 2jki n TYR 130 N -4.51 0.00 -0.12 0.00 4.02 -0.06 -0.82 117.16 115.67 2jki n TYR 130 Ca 0.15 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2jki n TYR 130 Cb 0.44 -0.02 0.26 0.00 -0.02 0.00 0.00 39.34 40.01 2jki n TYR 130 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2jki h LEU 131 N 0.00 0.71 0.00 7.72 3.38 -1.16 -3.35 115.31 122.61 2jki h LEU 131 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jki h LEU 131 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jki h LEU 131 CO 0.00 0.62 -0.20 1.33 0.09 0.00 0.00 178.44 180.28 2jki n VAL 132 N -4.36 0.00 -4.17 1.22 0.24 -0.76 -5.00 118.33 105.50 2jki n VAL 132 Ca 0.05 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 2jki n VAL 132 Cb 0.14 0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 33.28 2jki n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jki s ALA 133 N -1.02 3.19 -0.12 2.33 0.00 -0.00 -1.01 121.76 125.12 2jki s ALA 133 Ca 0.00 -1.15 0.19 0.00 0.00 0.00 0.00 51.96 51.00 2jki s ALA 133 Cb 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 23.12 21.73 2jki s ALA 133 CO 0.00 0.68 0.25 -0.85 0.00 0.00 0.00 175.76 175.84 2jki n GLU 134 N 0.65 0.72 -3.79 0.00 0.28 -0.10 -4.49 120.64 113.91 2jki n GLU 134 Ca -0.12 -0.09 -0.13 0.00 -0.16 0.00 0.00 57.16 56.66 2jki n GLU 134 Cb 0.52 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 2jki n GLU 134 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2jki s ARG 135 N -2.93 0.07 -0.04 3.44 3.52 -1.23 -4.61 118.95 117.17 2jki s ARG 135 Ca -0.09 0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.81 2jki s ARG 135 Cb 0.09 -0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2jki s ARG 135 CO 0.84 -0.11 -0.22 0.08 -0.81 0.00 0.00 175.30 175.08 2jki s VAL 136 N 0.73 2.33 -0.31 7.11 1.01 -0.88 -1.34 120.40 129.04 2jki s VAL 136 Ca -0.06 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 2jki s VAL 136 Cb -0.08 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.55 2jki s VAL 136 CO -0.03 0.58 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 2jki s VAL 137 N -0.48 1.12 -0.13 2.92 1.01 -0.50 -2.24 120.40 122.09 2jki s VAL 137 Ca 0.06 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 2jki s VAL 137 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2jki s VAL 137 CO 0.01 -0.64 0.52 -0.69 0.00 0.00 0.00 175.10 174.30 2jki s VAL 138 N 1.50 5.14 -0.08 2.92 1.01 0.71 -1.98 120.40 129.62 2jki s VAL 138 Ca 0.09 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.12 2jki s VAL 138 Cb -0.18 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jki s VAL 138 CO -0.22 0.27 -0.12 0.28 0.00 0.00 0.00 175.10 175.32 2jki s THR 139 N 0.92 1.20 0.01 3.92 -1.32 -0.59 0.52 115.64 120.30 2jki s THR 139 Ca 0.27 -0.48 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 2jki s THR 139 Cb -0.16 -1.11 -0.00 0.00 -1.51 0.00 0.00 72.50 69.72 2jki s THR 139 CO 0.11 0.38 0.09 0.28 -2.21 0.00 0.00 174.62 173.27 2jki s THR 140 N 0.91 0.09 -0.07 5.08 -1.32 -0.09 -0.56 115.64 119.68 2jki s THR 140 Ca -0.09 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 59.63 2jki s THR 140 Cb -0.15 -0.38 0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2jki s THR 140 CO 0.01 -0.41 -0.00 -0.75 -2.21 0.00 0.00 174.62 171.26 2jki s LYS 141 N -1.38 0.67 -0.04 7.08 2.47 0.02 -0.94 119.74 127.63 2jki s LYS 141 Ca -0.15 0.08 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 2jki s LYS 141 Cb -0.08 -1.01 -0.03 0.00 -1.46 0.00 0.00 37.83 35.24 2jki s LYS 141 CO 0.01 -0.30 -0.07 -1.58 0.16 0.00 0.00 175.35 173.57 2jki s HIS 142 N 1.95 2.92 0.35 4.03 5.65 -1.22 -1.30 115.29 127.67 2jki s HIS 142 Ca 0.05 0.00 0.14 0.00 0.25 0.00 0.00 55.06 55.50 2jki s HIS 142 Cb -0.12 -1.67 1.14 0.00 -1.18 0.00 0.00 32.58 30.75 2jki s HIS 142 CO -0.05 0.35 1.58 -0.91 -0.65 0.00 0.00 174.74 175.06 2jki h ASN 143 N 4.93 0.04 1.55 9.88 2.35 -1.91 -0.58 115.58 131.84 2jki h ASN 143 Ca -0.49 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2jki h ASN 143 Cb 1.17 0.35 0.00 0.00 0.05 0.00 0.00 38.32 39.89 2jki h ASN 143 CO 0.53 -0.41 -0.09 0.44 -1.65 0.00 0.00 177.43 176.25 2jki h ASP 144 N 0.00 0.00 -4.02 5.81 3.45 -1.95 -3.46 116.42 116.25 2jki h ASP 144 Ca 0.76 -0.02 -0.36 0.00 0.43 0.00 0.00 57.03 57.85 2jki h ASP 144 Cb 1.90 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 40.59 2jki h ASP 144 CO -0.83 0.01 -0.30 -0.67 -1.57 0.00 0.00 179.24 175.88 2jki n ASP 145 N -2.49 0.90 -4.89 6.45 -0.08 -0.22 -5.12 116.55 111.10 2jki n ASP 145 Ca 0.05 -2.42 -0.21 0.00 -1.51 0.00 0.00 54.79 50.70 2jki n ASP 145 Cb 0.46 0.73 0.08 0.00 2.34 0.00 0.00 41.12 44.74 2jki n ASP 145 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jki s GLU 146 N -3.00 2.04 0.05 -0.67 2.02 -1.26 -4.30 118.70 113.58 2jki s GLU 146 Ca 0.15 -1.45 -0.31 0.00 0.02 0.00 0.00 54.97 53.39 2jki s GLU 146 Cb 0.01 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 2jki s GLU 146 CO 0.11 -1.11 1.18 -1.14 0.02 0.00 0.00 175.26 174.32 2jki s GLN 147 N -4.86 4.44 0.27 1.61 0.74 -1.26 -4.41 119.66 116.20 2jki s GLN 147 Ca 0.64 1.73 0.04 0.00 0.05 0.00 0.00 55.36 57.83 2jki s GLN 147 Cb -0.05 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 2jki s GLN 147 CO 0.41 -0.24 -0.00 0.71 -0.55 0.00 0.00 175.29 175.62 2jki s TYR 148 N 1.09 1.80 -0.09 1.67 2.02 -0.11 -1.10 117.35 122.63 2jki s TYR 148 Ca 0.58 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 2jki s TYR 148 Cb -0.29 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2jki s TYR 148 CO 0.29 0.07 -0.03 0.08 -1.57 0.00 0.00 175.55 174.39 2jki s VAL 149 N -3.26 0.64 -0.12 0.71 1.01 0.81 -0.92 120.40 119.27 2jki s VAL 149 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2jki s VAL 149 Cb 0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2jki s VAL 149 CO 0.12 0.29 0.27 0.86 0.00 0.00 0.00 175.10 176.64 2jki s TRP 150 N 1.86 3.54 -0.08 5.22 -0.00 0.19 -1.20 118.94 128.46 2jki s TRP 150 Ca 0.05 0.64 -0.07 0.00 -0.00 0.00 0.00 56.10 56.71 2jki s TRP 150 Cb -0.12 -2.24 0.02 0.00 -0.00 0.00 0.00 33.47 31.13 2jki s TRP 150 CO -0.06 0.42 0.21 -2.00 -0.00 0.00 0.00 176.95 175.51 2jki s GLU 151 N -0.14 0.24 0.05 5.86 2.12 -0.69 -0.20 118.70 125.94 2jki s GLU 151 Ca 0.17 0.29 -0.25 0.00 0.36 0.00 0.00 54.97 55.54 2jki s GLU 151 Cb -0.13 0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.43 2jki s GLU 151 CO 0.05 -0.03 0.58 0.45 -0.54 0.00 0.00 175.26 175.77 2jki s SER 152 N 0.14 -0.52 -0.06 -1.70 0.15 -0.95 -1.69 113.70 109.07 2jki s SER 152 Ca -0.00 0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.02 2jki s SER 152 Cb -0.02 0.53 0.23 0.00 -1.71 0.00 0.00 66.02 65.05 2jki s SER 152 CO 0.00 -0.75 1.17 0.00 1.20 0.00 0.00 173.24 174.86 2jki n GLN 153 N 0.35 2.50 -1.05 5.44 6.02 -1.26 -2.08 117.38 127.31 2jki n GLN 153 Ca -0.18 -2.13 -0.02 0.00 -0.01 0.00 0.00 57.00 54.66 2jki n GLN 153 Cb 0.61 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.52 2jki n GLN 153 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jki n ALA 154 N -0.54 -0.03 -0.12 -1.58 0.00 -1.26 -4.88 120.51 112.10 2jki n ALA 154 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jki n ALA 154 Cb 0.50 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2jki n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jki n GLY 155 N -1.65 2.34 2.44 0.00 0.00 -1.26 -4.75 105.19 102.31 2jki n GLY 155 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jki n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jki n GLY 156 N 1.26 1.72 3.59 -0.02 0.00 -1.26 -4.99 105.19 105.49 2jki n GLY 156 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jki n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jki s SER 157 N -3.33 0.17 0.21 1.61 1.04 -1.26 -1.67 113.70 110.46 2jki s SER 157 Ca 0.00 -1.09 -0.09 0.00 0.48 0.00 0.00 55.95 55.25 2jki s SER 157 Cb 0.00 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2jki s SER 157 CO 0.00 -1.24 0.33 0.72 0.98 0.00 0.00 173.24 174.03 2jki s PHE 158 N -3.59 0.54 0.04 5.02 -0.12 0.50 -4.52 117.98 115.84 2jki s PHE 158 Ca 0.24 -0.87 0.08 0.00 -0.05 0.00 0.00 56.93 56.32 2jki s PHE 158 Cb -0.01 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 2jki s PHE 158 CO 0.12 -0.82 -0.22 0.95 -0.05 0.00 0.00 175.22 175.21 2jki s THR 159 N -4.03 1.75 -0.08 -4.49 -4.23 -0.68 -1.30 115.64 102.58 2jki s THR 159 Ca 0.24 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2jki s THR 159 Cb 0.02 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 2jki s THR 159 CO 0.06 0.25 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.49 2jki s VAL 160 N -0.78 2.33 -0.02 2.29 1.01 -0.61 -1.70 120.40 122.93 2jki s VAL 160 Ca 0.08 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2jki s VAL 160 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2jki s VAL 160 CO 0.02 0.56 0.05 -0.89 0.00 0.00 0.00 175.10 174.84 2jki s THR 161 N -0.00 0.01 0.27 3.92 2.01 -0.34 -0.89 115.64 120.62 2jki s THR 161 Ca -0.07 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 2jki s THR 161 Cb -0.15 -0.12 -0.09 0.00 0.01 0.00 0.00 72.50 72.15 2jki s THR 161 CO 0.05 -0.05 1.11 -0.60 -0.69 0.00 0.00 174.62 174.44 2jki s ARG 162 N -0.14 4.62 -0.20 4.92 3.52 -0.74 -0.14 118.95 130.79 2jki s ARG 162 Ca -0.02 1.82 -0.22 0.00 -0.13 0.00 0.00 55.73 57.18 2jki s ARG 162 Cb -0.01 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2jki s ARG 162 CO 0.00 0.18 0.68 0.34 -0.81 0.00 0.00 175.30 175.69 2jki s ASP 163 N -0.79 6.73 0.06 -2.12 3.68 -0.26 -4.72 116.67 119.25 2jki s ASP 163 Ca 0.45 0.90 0.00 0.00 2.13 0.00 0.00 52.55 56.03 2jki s ASP 163 Cb -0.32 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 2jki s ASP 163 CO 0.41 -0.32 0.00 0.35 0.13 0.00 0.00 175.17 175.74 2jki n THR 164 N 4.78 0.53 0.65 1.71 -2.24 -1.26 -4.79 114.28 113.66 2jki n THR 164 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2jki n THR 164 Cb 0.49 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 2jki n THR 164 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jki n SER 165 N -3.00 0.28 -4.80 3.42 3.41 -1.26 -4.78 113.62 106.89 2jki n SER 165 Ca 0.00 -0.93 -0.22 0.00 -0.26 0.00 0.00 58.87 57.46 2jki n SER 165 Cb 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 2jki n SER 165 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jki s GLY 166 N -0.93 1.46 -0.03 5.00 0.00 -1.26 -5.09 107.32 106.47 2jki s GLY 166 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 2jki s GLY 166 CO 0.00 -1.51 1.06 1.85 0.00 0.00 0.00 173.10 174.50 2jki s GLU 167 N -3.82 4.47 -0.09 2.90 2.12 -1.26 -5.00 118.70 118.01 2jki s GLU 167 Ca 0.33 1.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2jki s GLU 167 Cb -0.08 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 2jki s GLU 167 CO 0.24 -0.22 0.99 -0.65 -0.54 0.00 0.00 175.26 175.08 2jki s GLN 168 N 1.47 4.44 0.39 4.30 -1.52 -1.26 -5.04 119.66 122.43 2jki s GLN 168 Ca 0.53 1.37 -0.14 0.00 -1.95 0.00 0.00 55.36 55.16 2jki s GLN 168 Cb -0.22 -3.53 -0.08 0.00 -0.22 0.00 0.00 33.01 28.96 2jki s GLN 168 CO 0.25 -0.27 0.80 -0.51 -0.25 0.00 0.00 175.29 175.31 2jki s LEU 169 N 1.84 3.91 0.02 2.90 1.43 -1.26 -4.97 118.68 122.55 2jki s LEU 169 Ca 0.48 1.31 -0.23 0.00 -1.03 0.00 0.00 54.13 54.66 2jki s LEU 169 Cb -0.19 -4.16 -0.16 0.00 0.03 0.00 0.00 46.19 41.71 2jki s LEU 169 CO 0.19 -0.34 1.39 1.23 0.23 0.00 0.00 176.35 179.05 2jki h GLY 170 N 1.69 0.16 -4.62 -3.19 0.00 -1.95 -3.47 103.07 91.69 2jki h GLY 170 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2jki h GLY 170 CO 0.64 0.12 0.31 -1.60 0.00 0.00 0.00 176.54 176.01 2jki s ARG 171 N -4.64 0.79 0.00 4.80 3.52 -1.26 -4.76 118.95 117.39 2jki s ARG 171 Ca -0.15 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 2jki s ARG 171 Cb 0.04 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2jki s ARG 171 CO 0.70 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 2jki n GLY 172 N 1.55 0.14 3.24 8.12 0.00 -0.42 -4.28 105.19 113.55 2jki n GLY 172 Ca -0.14 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2jki n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jki s THR 173 N 0.00 0.00 -0.30 2.61 2.01 -1.03 -0.80 115.64 118.13 2jki s THR 173 Ca 0.00 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2jki s THR 173 Cb 0.00 -0.49 0.09 0.00 0.01 0.00 0.00 72.50 72.11 2jki s THR 173 CO 0.00 -0.01 0.06 -0.75 -0.69 0.00 0.00 174.62 173.24 2jki s LYS 174 N 0.14 1.03 -0.15 4.92 2.20 0.28 -1.21 119.74 126.95 2jki s LYS 174 Ca -0.00 -1.26 -0.19 0.00 -0.36 0.00 0.00 55.97 54.16 2jki s LYS 174 Cb -0.03 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2jki s LYS 174 CO 0.01 -0.91 0.54 -1.64 -0.36 0.00 0.00 175.35 172.98 2jki s MET 175 N 1.40 4.29 -0.18 4.03 -1.94 0.91 -1.54 119.30 126.27 2jki s MET 175 Ca 0.08 0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 54.55 2jki s MET 175 Cb -0.18 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.16 2jki s MET 175 CO -0.18 -0.00 -0.09 0.08 -0.01 0.00 0.00 175.02 174.82 2jki s VAL 176 N 1.14 3.08 -0.38 -6.03 1.01 -0.84 -0.56 120.40 117.82 2jki s VAL 176 Ca 0.27 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 2jki s VAL 176 Cb -0.16 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2jki s VAL 176 CO 0.11 0.47 0.22 -0.76 0.00 0.00 0.00 175.10 175.14 2jki s LEU 177 N 1.07 4.80 -0.63 3.92 1.02 0.13 -1.41 118.68 127.58 2jki s LEU 177 Ca 0.00 -1.04 -0.28 0.00 0.02 0.00 0.00 54.13 52.83 2jki s LEU 177 Cb -0.15 -2.03 0.03 0.00 0.02 0.00 0.00 46.19 44.06 2jki s LEU 177 CO -0.02 -0.41 1.21 -0.31 0.02 0.00 0.00 176.35 176.85 2jki s TYR 178 N 1.55 2.51 0.28 0.29 1.51 -0.45 -1.88 117.35 121.16 2jki s TYR 178 Ca 0.02 0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.05 2jki s TYR 178 Cb -0.20 -4.54 -0.09 0.00 -0.11 0.00 0.00 41.96 37.02 2jki s TYR 178 CO 0.07 -1.73 1.05 -0.51 -1.11 0.00 0.00 175.55 173.31 2jki s LEU 179 N 5.16 4.54 0.91 -1.29 1.43 -0.72 -0.93 118.68 127.79 2jki s LEU 179 Ca 0.40 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 2jki s LEU 179 Cb -0.08 -3.68 0.14 0.00 0.03 0.00 0.00 46.19 42.61 2jki s LEU 179 CO 0.22 -0.08 1.10 -0.54 0.23 0.00 0.00 176.35 177.28 2jki s LYS 180 N -1.47 1.11 0.05 1.70 1.02 -0.18 -4.73 119.74 117.24 2jki s LYS 180 Ca 0.45 1.10 -0.24 0.00 0.02 0.00 0.00 55.97 57.30 2jki s LYS 180 Cb -0.29 -1.77 -0.12 0.00 -0.52 0.00 0.00 37.83 35.13 2jki s LYS 180 CO 0.37 -2.42 1.37 -0.44 -0.92 0.00 0.00 175.35 173.31 2jki h ASP 181 N -1.69 -0.89 -0.66 2.83 5.19 -1.95 -2.57 116.42 116.68 2jki h ASP 181 Ca -0.48 0.07 0.19 0.00 -0.62 0.00 0.00 57.03 56.19 2jki h ASP 181 Cb 1.27 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 41.04 2jki h ASP 181 CO 0.50 -0.46 0.50 -2.24 -3.12 0.00 0.00 179.24 174.42 2jki h ASP 182 N -0.71 0.00 -0.22 6.45 2.03 -1.97 -2.85 116.42 119.15 2jki h ASP 182 Ca -0.05 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.16 2jki h ASP 182 Cb 0.60 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.05 2jki h ASP 182 CO -0.01 0.00 0.11 0.00 -1.03 0.00 0.00 179.24 178.31 2jki n GLN 183 N -4.24 1.59 0.00 4.15 1.13 -0.97 -4.39 117.38 114.66 2jki n GLN 183 Ca 0.13 -0.81 0.08 0.00 -1.94 0.00 0.00 57.00 54.47 2jki n GLN 183 Cb 0.75 -1.46 0.43 0.00 0.11 0.00 0.00 30.24 30.07 2jki n GLN 183 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2jki n MET 184 N 0.10 0.25 0.20 -1.09 1.56 -1.08 -3.26 117.12 113.80 2jki n MET 184 Ca 0.13 0.12 0.14 0.00 -0.27 0.00 0.00 57.70 57.81 2jki n MET 184 Cb 0.70 -1.50 0.41 0.00 2.15 0.00 0.00 33.22 34.98 2jki n MET 184 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2jki h GLU 185 N 0.00 0.00 -0.82 2.12 4.11 -1.89 -3.06 114.58 115.03 2jki h GLU 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jki h GLU 185 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jki h GLU 185 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2jki n TYR 186 N -2.77 0.58 0.02 2.06 4.01 -1.20 -2.88 117.16 116.97 2jki n TYR 186 Ca 0.03 -0.20 0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2jki n TYR 186 Cb 0.40 -0.20 -0.13 0.00 -0.31 0.00 0.00 39.34 39.10 2jki n TYR 186 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jki n LEU 187 N 0.18 0.03 -4.75 7.72 4.77 -1.16 -4.85 117.00 118.94 2jki n LEU 187 Ca 0.08 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2jki n LEU 187 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2jki n LEU 187 CO 0.09 0.01 0.80 -1.61 -1.33 0.00 0.00 177.39 175.34 2jki s GLU 188 N -3.17 4.62 0.24 3.23 0.41 -1.14 -4.84 118.70 118.05 2jki s GLU 188 Ca -0.06 1.78 -0.06 0.00 -0.41 0.00 0.00 54.97 56.23 2jki s GLU 188 Cb 0.11 -3.22 0.24 0.00 -1.78 0.00 0.00 34.13 29.49 2jki s GLU 188 CO 0.71 0.16 1.81 1.49 -0.49 0.00 0.00 175.26 178.95 2jki h GLU 189 N 4.25 1.12 -0.27 1.61 4.81 -1.93 -2.38 114.58 121.79 2jki h GLU 189 Ca -0.46 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.57 2jki h GLU 189 Cb 1.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2jki h GLU 189 CO 0.69 0.89 0.10 -0.09 -0.73 0.00 0.00 179.01 179.88 2jki h ARG 190 N 1.10 0.40 -0.42 1.92 2.43 -1.96 -1.58 114.38 116.27 2jki h ARG 190 Ca 0.26 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2jki h ARG 190 Cb 0.18 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2jki h ARG 190 CO -0.02 0.44 0.26 -0.09 -1.51 0.00 0.00 179.97 179.05 2jki h ARG 191 N 0.28 0.51 -0.46 0.20 9.65 -1.83 -1.87 114.38 120.86 2jki h ARG 191 Ca 0.09 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2jki h ARG 191 Cb 0.19 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2jki h ARG 191 CO -0.01 0.34 0.08 0.82 2.80 0.00 0.00 179.97 184.00 2jki h ILE 192 N 0.53 1.25 -0.82 1.20 2.04 -1.27 -1.03 117.51 119.40 2jki h ILE 192 Ca 0.16 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 2jki h ILE 192 Cb -0.03 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2jki h ILE 192 CO -0.06 0.32 0.49 0.50 0.00 0.00 0.00 178.15 179.40 2jki h LYS 193 N 0.62 1.11 0.42 2.37 3.64 -1.04 -0.97 116.57 122.72 2jki h LYS 193 Ca 0.14 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jki h LYS 193 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2jki h LYS 193 CO 0.01 0.78 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.21 2jki h ASP 194 N 1.13 -0.82 -0.57 4.20 5.19 -0.93 -2.37 116.42 122.24 2jki h ASP 194 Ca 0.29 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.87 2jki h ASP 194 Cb -0.05 0.25 -0.09 0.00 0.18 0.00 0.00 39.33 39.63 2jki h ASP 194 CO -0.06 -0.45 0.07 -0.07 -3.12 0.00 0.00 179.24 175.62 2jki h LEU 195 N -0.71 -0.10 0.44 1.55 3.38 -0.79 0.15 115.31 119.23 2jki h LEU 195 Ca -0.06 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jki h LEU 195 Cb 0.58 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2jki h LEU 195 CO 0.02 -0.03 -0.46 0.58 0.09 0.00 0.00 178.44 178.64 2jki h VAL 196 N 0.20 0.08 -1.00 1.22 2.07 -1.22 -1.73 116.25 115.87 2jki h VAL 196 Ca 0.30 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.01 2jki h VAL 196 Cb 0.45 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.20 2jki h VAL 196 CO -0.42 0.00 0.61 0.50 0.02 0.00 0.00 177.57 178.28 2jki h LYS 197 N -0.92 0.75 0.00 1.57 1.63 -0.76 -1.71 116.57 117.13 2jki h LYS 197 Ca -0.05 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 2jki h LYS 197 Cb 0.81 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2jki h LYS 197 CO -0.08 0.49 -0.25 -0.09 -3.45 0.00 0.00 179.45 176.07 2jki h ARG 198 N 0.77 0.00 0.00 1.90 2.43 0.18 -3.32 114.38 116.34 2jki h ARG 198 Ca 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 2jki h ARG 198 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2jki h ARG 198 CO -0.38 0.25 -0.56 0.72 -1.51 0.00 0.00 179.97 178.50 2jki n HIS 199 N -3.53 0.00 -3.11 2.20 8.25 -1.04 -4.87 115.22 113.12 2jki n HIS 199 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2jki n HIS 199 Cb 0.41 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2jki n HIS 199 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jki n SER 200 N -1.01 5.35 -0.55 0.41 7.64 -0.66 -4.67 113.62 120.12 2jki n SER 200 Ca 0.00 -3.49 0.06 0.00 1.01 0.00 0.00 58.87 56.45 2jki n SER 200 Cb 0.00 -0.96 0.19 0.00 -1.01 0.00 0.00 64.21 62.43 2jki n SER 200 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jki n GLU 201 N 0.81 1.60 0.00 1.43 4.07 -1.26 -4.39 120.64 122.90 2jki n GLU 201 Ca 0.30 -3.08 0.00 0.00 -0.06 0.00 0.00 57.16 54.33 2jki n GLU 201 Cb 0.36 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 2jki n GLU 201 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2jki n PHE 202 N -1.18 0.00 -3.64 4.31 3.72 -1.26 -5.10 117.46 114.30 2jki n PHE 202 Ca 0.20 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.24 2jki n PHE 202 Cb 0.73 0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 39.19 2jki n PHE 202 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2jki s ILE 203 N 0.00 5.35 -0.61 4.37 2.07 -1.26 -5.01 121.20 126.11 2jki s ILE 203 Ca 0.00 0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.50 2jki s ILE 203 Cb 0.00 -3.52 0.42 0.00 0.13 0.00 0.00 42.46 39.49 2jki s ILE 203 CO 0.00 0.36 1.75 -1.54 -1.91 0.00 0.00 174.94 173.60 2jki n SER 204 N 4.09 6.73 -4.09 4.50 3.41 -1.26 -4.91 113.62 122.10 2jki n SER 204 Ca -0.14 -3.79 -0.10 0.00 -0.26 0.00 0.00 58.87 54.58 2jki n SER 204 Cb 0.52 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 2jki n SER 204 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2jki s TYR 205 N -3.81 0.64 -0.29 7.33 2.02 -1.26 -5.11 117.35 116.86 2jki s TYR 205 Ca 0.57 -0.76 -0.33 0.00 -0.37 0.00 0.00 57.07 56.18 2jki s TYR 205 Cb 0.46 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 41.53 2jki s TYR 205 CO -0.13 -0.19 2.20 -0.35 -1.57 0.00 0.00 175.55 175.51 2jki n PRO 206 N 0.71 1.43 -3.59 -1.71 -0.04 -1.26 -4.88 135.00 125.65 2jki n PRO 206 Ca -0.18 0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 63.30 2jki n PRO 206 Cb 0.58 -2.75 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2jki n PRO 206 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jki s ILE 207 N 7.62 5.32 0.16 0.52 1.01 -1.26 -1.94 121.20 132.62 2jki s ILE 207 Ca 1.06 0.27 0.10 0.00 0.00 0.00 0.00 60.65 62.08 2jki s ILE 207 Cb -0.66 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2jki s ILE 207 CO 0.44 0.30 -0.16 -0.44 0.00 0.00 0.00 174.94 175.08 2jki s SER 208 N 1.25 3.92 -0.35 3.58 0.01 -0.43 -1.89 113.70 119.80 2jki s SER 208 Ca 0.09 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.75 2jki s SER 208 Cb -0.14 -0.55 0.10 0.00 0.21 0.00 0.00 66.02 65.64 2jki s SER 208 CO 0.07 0.13 0.07 -0.22 0.41 0.00 0.00 173.24 173.70 2jki s LEU 209 N -2.54 4.58 -0.08 2.44 1.98 0.15 -0.69 118.68 124.52 2jki s LEU 209 Ca 0.21 -2.18 0.01 0.00 -2.89 0.00 0.00 54.13 49.28 2jki s LEU 209 Cb -0.09 -1.58 0.14 0.00 0.66 0.00 0.00 46.19 45.32 2jki s LEU 209 CO 0.12 -0.37 1.08 0.79 -1.89 0.00 0.00 176.35 176.08 2jki n TRP 210 N 4.21 0.57 -0.95 5.38 7.02 -0.36 -3.59 117.44 129.73 2jki n TRP 210 Ca 0.04 -0.62 -0.22 0.00 -1.02 0.00 0.00 57.50 55.67 2jki n TRP 210 Cb 0.41 -0.34 -0.07 0.00 -2.42 0.00 0.00 31.31 28.89 2jki n TRP 210 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2jki n THR 211 N 0.16 3.02 -1.32 -0.99 -1.04 -1.26 -4.49 114.28 108.36 2jki n THR 211 Ca 0.10 -1.71 0.00 0.00 -2.04 0.00 0.00 64.05 60.41 2jki n THR 211 Cb 0.66 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 2jki n THR 211 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jki n GLU 212 N 3.34 0.00 0.00 -2.82 4.71 -1.26 -4.95 120.64 119.66 2jki n GLU 212 Ca 0.51 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 58.10 2jki n GLU 212 Cb 0.41 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 29.96 2jki n GLU 212 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2jki n LYS 213 N 0.10 0.00 -2.24 3.49 4.81 -1.25 -4.91 118.16 118.15 2jki n LYS 213 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 2jki n LYS 213 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 2jki n LYS 213 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2jki s THR 214 N 0.00 2.18 0.20 3.15 -1.32 -1.24 -4.34 115.64 114.27 2jki s THR 214 Ca 0.00 -0.30 0.07 0.00 -1.21 0.00 0.00 61.69 60.25 2jki s THR 214 Cb 0.00 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 2jki s THR 214 CO 0.00 0.00 0.06 0.42 -2.21 0.00 0.00 174.62 172.89 2jki s THR 215 N -3.37 3.99 0.00 5.08 -4.23 -1.26 0.35 115.64 116.20 2jki s THR 215 Ca 0.65 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2jki s THR 215 Cb -0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2jki s THR 215 CO 0.46 -0.18 0.00 -1.84 -0.54 0.00 0.00 174.62 172.52 2jki n GLU 216 N -0.45 0.00 0.00 3.99 0.00 -0.79 -4.94 120.64 118.45 2jki n GLU 216 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.18 2jki n GLU 216 Cb 0.56 0.00 0.09 0.00 0.00 0.00 0.00 31.44 32.09 2jki n GLU 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30