#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jki n THR 5 N 0.00 0.00 -4.21 6.31 -2.24 -1.26 -2.64 114.28 110.24 2jki n THR 5 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2jki n THR 5 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 2jki n THR 5 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jki s GLU 6 N -2.00 0.92 -0.08 -0.78 2.12 -0.27 -4.99 118.70 113.62 2jki s GLU 6 Ca 0.00 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.30 2jki s GLU 6 Cb 0.00 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.47 2jki s GLU 6 CO 0.00 0.20 -0.22 0.99 -0.54 0.00 0.00 175.26 175.69 2jki s THR 7 N -1.54 1.88 0.14 -1.70 2.01 -1.26 -1.59 115.64 113.59 2jki s THR 7 Ca 0.03 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.18 2jki s THR 7 Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 2jki s THR 7 CO 0.03 0.52 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.91 2jki s PHE 8 N 0.25 1.95 -0.12 4.92 0.40 -0.18 -4.99 117.98 120.20 2jki s PHE 8 Ca -0.14 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 2jki s PHE 8 Cb -0.16 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 2jki s PHE 8 CO 0.07 0.31 0.08 0.00 0.70 0.00 0.00 175.22 176.38 2jki s ALA 9 N -1.54 3.60 0.32 5.36 0.00 -1.26 -0.67 121.76 127.56 2jki s ALA 9 Ca 0.13 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2jki s ALA 9 Cb -0.08 -1.82 -0.13 0.00 0.00 0.00 0.00 23.12 21.10 2jki s ALA 9 CO 0.06 0.51 1.28 1.19 0.00 0.00 0.00 175.76 178.80 2jki n PHE 10 N 2.39 2.16 -1.58 0.00 3.72 -0.81 -4.82 117.46 118.53 2jki n PHE 10 Ca -0.19 0.55 -0.36 0.00 -0.05 0.00 0.00 57.45 57.40 2jki n PHE 10 Cb 0.54 -2.41 0.08 0.00 -0.94 0.00 0.00 39.48 36.75 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 0.82 0.88 -0.03 -1.08 -0.06 -0.65 -4.67 117.38 112.58 2jki n GLN 11 Ca 0.06 0.36 -0.01 0.00 -2.00 0.00 0.00 57.00 55.42 2jki n GLN 11 Cb 0.35 -2.48 -0.01 0.00 -4.06 0.00 0.00 30.24 24.04 2jki n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jki n ALA 12 N -2.22 -0.05 -0.30 1.69 0.00 -1.26 -1.36 120.51 117.01 2jki n ALA 12 Ca 0.15 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.77 2jki n ALA 12 Cb 0.49 0.45 0.26 0.00 0.00 0.00 0.00 19.45 20.64 2jki n ALA 12 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jki h GLU 13 N 0.00 0.12 -0.06 0.00 3.07 -1.99 0.11 114.58 115.82 2jki h GLU 13 Ca 0.01 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2jki h GLU 13 Cb 0.03 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2jki h GLU 13 CO -0.07 0.08 -0.51 0.82 -1.40 0.00 0.00 179.01 177.93 2jki h ILE 14 N 0.12 1.36 -0.62 3.13 2.04 -1.56 -1.45 117.51 120.53 2jki h ILE 14 Ca 0.53 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2jki h ILE 14 Cb 1.04 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 2jki h ILE 14 CO -0.73 0.52 0.40 0.78 0.00 0.00 0.00 178.15 179.12 2jki h ASN 15 N 0.13 0.72 -0.46 1.72 2.35 0.25 0.73 115.58 121.02 2jki h ASN 15 Ca 0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2jki h ASN 15 Cb 0.95 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 2jki h ASN 15 CO 0.07 0.54 0.21 1.56 -1.65 0.00 0.00 177.43 178.16 2jki h GLN 16 N 0.84 0.67 -0.11 0.81 4.20 -1.01 -0.68 115.11 119.84 2jki h GLN 16 Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2jki h GLN 16 Cb -0.08 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 2jki h GLN 16 CO -0.05 0.58 0.04 1.25 -0.67 0.00 0.00 178.83 179.98 2jki h LEU 17 N 0.60 0.15 -1.88 1.46 5.85 -0.99 -1.10 115.31 119.40 2jki h LEU 17 Ca 0.16 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.83 2jki h LEU 17 Cb 0.14 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2jki h LEU 17 CO -0.02 0.28 0.36 -0.07 -0.34 0.00 0.00 178.44 178.66 2jki h LEU 18 N 0.01 0.12 0.30 2.25 3.38 -0.61 0.18 115.31 120.93 2jki h LEU 18 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jki h LEU 18 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jki h LEU 18 CO -0.00 0.07 -0.14 -1.28 0.09 0.00 0.00 178.44 177.17 2jki h SER 19 N 0.13 -0.34 -0.93 -0.43 0.87 -0.27 -2.23 113.55 110.36 2jki h SER 19 Ca 0.25 -0.17 0.27 0.00 -1.23 0.00 0.00 61.79 60.90 2jki h SER 19 Cb 0.81 0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 62.70 2jki h SER 19 CO -0.03 0.13 0.23 -0.07 -0.53 0.00 0.00 176.83 176.57 2jki h LEU 20 N -0.96 -0.06 -0.05 2.23 3.38 -0.60 0.02 115.31 119.27 2jki h LEU 20 Ca -0.04 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jki h LEU 20 Cb 0.49 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2jki h LEU 20 CO 0.07 -0.24 0.01 0.40 0.09 0.00 0.00 178.44 178.77 2jki h ILE 21 N 0.14 1.20 -0.01 1.22 1.08 -0.94 -2.80 117.51 117.40 2jki h ILE 21 Ca 0.61 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2jki h ILE 21 Cb 1.30 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2jki h ILE 21 CO -0.73 0.16 -0.30 0.00 -0.69 0.00 0.00 178.15 176.59 2jki n ILE 22 N -4.92 0.00 -0.00 -0.67 3.06 -0.66 -4.24 119.36 111.93 2jki n ILE 22 Ca -0.07 -0.16 0.01 0.00 -2.50 0.00 0.00 62.75 60.02 2jki n ILE 22 Cb 0.15 0.61 -0.01 0.00 0.54 0.00 0.00 39.64 40.93 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 -0.47 4.62 -4.87 9.51 3.02 -0.10 -4.99 115.26 121.98 2jki n ASN 23 Ca 0.12 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 2jki n ASN 23 Cb 0.38 1.01 -0.05 0.00 -0.61 0.00 0.00 39.78 40.51 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 -2.11 5.08 -0.41 3.41 2.01 -1.06 -5.05 115.64 117.52 2jki s THR 24 Ca -0.01 0.38 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 2jki s THR 24 Cb 0.01 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.89 2jki s THR 24 CO 0.07 0.19 0.72 0.12 -0.69 0.00 0.00 174.62 175.04 2jki s PHE 25 N -1.50 3.07 0.19 4.92 2.19 -1.26 -4.90 117.98 120.68 2jki s PHE 25 Ca 0.36 0.24 0.05 0.00 0.33 0.00 0.00 56.93 57.91 2jki s PHE 25 Cb -0.13 -3.43 -0.04 0.00 -1.31 0.00 0.00 43.02 38.11 2jki s PHE 25 CO 0.20 -0.83 0.22 0.71 1.83 0.00 0.00 175.22 177.35 2jki s TYR 26 N 3.03 3.28 -0.17 10.12 1.51 -1.26 -5.06 117.35 128.80 2jki s TYR 26 Ca 0.28 0.00 -0.26 0.00 -1.01 0.00 0.00 57.07 56.08 2jki s TYR 26 Cb -0.13 -1.54 -0.23 0.00 -0.11 0.00 0.00 41.96 39.94 2jki s TYR 26 CO 0.19 0.51 0.54 0.77 -1.11 0.00 0.00 175.55 176.44 2jki h SER 27 N 1.99 0.01 -0.69 2.29 0.02 -2.04 -3.41 113.55 111.72 2jki h SER 27 Ca -0.49 -0.79 -0.64 0.00 -0.84 0.00 0.00 61.79 59.03 2jki h SER 27 Cb 1.21 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 2jki h SER 27 CO 0.64 1.21 2.38 0.59 -1.14 0.00 0.00 176.83 180.51 2jki n ASN 28 N -4.53 7.85 0.23 3.07 3.02 -1.26 -4.63 115.26 119.02 2jki n ASN 28 Ca -0.19 -2.92 0.12 0.00 -0.03 0.00 0.00 54.58 51.55 2jki n ASN 28 Cb 0.57 -1.41 0.47 0.00 -0.61 0.00 0.00 39.78 38.80 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 4.39 0.00 0.00 3.52 1.57 -1.97 -3.26 116.57 120.82 2jki h LYS 29 Ca 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 2jki h LYS 29 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jki h LYS 29 CO 1.39 0.16 0.00 1.05 -0.57 0.00 0.00 179.45 181.49 2jki h GLU 30 N 0.00 0.00 0.00 3.15 -0.00 -1.99 -2.42 114.58 113.33 2jki h GLU 30 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2jki h GLU 30 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.49 2jki h GLU 30 CO 0.02 0.00 0.00 0.44 -0.00 0.00 0.00 179.01 179.47 2jki n ILE 31 N -2.54 0.00 -0.23 -1.06 -6.64 -1.23 -2.88 119.36 104.78 2jki n ILE 31 Ca -0.01 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 60.90 2jki n ILE 31 Cb 0.10 -0.64 0.03 0.00 -1.44 0.00 0.00 39.64 37.69 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 1.00 -0.17 4.28 -0.00 -1.73 -2.03 116.94 118.29 2jki h PHE 32 Ca 0.00 -0.09 -0.06 0.00 -0.00 0.00 0.00 57.97 57.82 2jki h PHE 32 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 35.95 35.65 2jki h PHE 32 CO 0.00 0.81 -0.15 1.25 -0.00 0.00 0.00 178.31 180.22 2jki h LEU 33 N 0.90 0.27 -0.20 2.10 5.85 -1.81 -1.36 115.31 121.07 2jki h LEU 33 Ca 0.21 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2jki h LEU 33 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jki h LEU 33 CO -0.01 0.45 0.10 -0.09 -0.34 0.00 0.00 178.44 178.55 2jki h ARG 34 N 0.27 0.28 0.00 1.25 2.43 -1.61 -0.97 114.38 116.02 2jki h ARG 34 Ca 0.05 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2jki h ARG 34 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2jki h ARG 34 CO 0.03 0.28 -0.36 0.93 -1.51 0.00 0.00 179.97 179.34 2jki h GLU 35 N 0.20 0.00 0.03 0.20 4.39 -0.65 0.14 114.58 118.88 2jki h GLU 35 Ca 0.07 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2jki h GLU 35 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2jki h GLU 35 CO -0.01 0.36 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.80 2jki h LEU 36 N 0.00 0.08 -1.07 1.33 3.38 -1.17 -1.25 115.31 116.62 2jki h LEU 36 Ca -0.00 -0.93 0.08 0.00 0.09 0.00 0.00 57.88 57.12 2jki h LEU 36 Cb 0.64 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 2jki h LEU 36 CO 0.05 1.14 0.62 0.40 0.09 0.00 0.00 178.44 180.74 2jki h ILE 37 N -0.88 1.04 0.60 1.22 2.04 -1.07 -0.41 117.51 120.04 2jki h ILE 37 Ca -0.07 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2jki h ILE 37 Cb 1.16 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2jki h ILE 37 CO -0.00 0.20 -0.29 -1.28 0.00 0.00 0.00 178.15 176.78 2jki h SER 38 N 1.08 -0.68 -0.54 1.72 0.87 -0.77 -0.25 113.55 114.98 2jki h SER 38 Ca 0.43 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 61.17 2jki h SER 38 Cb 0.26 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2jki h SER 38 CO -0.18 -0.44 0.61 0.78 -0.53 0.00 0.00 176.83 177.07 2jki h ASN 39 N -0.89 0.00 0.52 6.23 2.35 -0.87 1.10 115.58 124.03 2jki h ASN 39 Ca -0.08 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.37 2jki h ASN 39 Cb 0.61 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.99 2jki h ASN 39 CO 0.13 0.00 -1.35 -1.28 -1.65 0.00 0.00 177.43 173.28 2jki h SER 40 N 0.00 0.50 0.94 5.81 0.87 -0.90 -2.75 113.55 118.02 2jki h SER 40 Ca 0.26 -0.56 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 2jki h SER 40 Cb 1.47 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2jki h SER 40 CO -0.00 1.45 -0.47 -1.28 -0.53 0.00 0.00 176.83 175.99 2jki h SER 41 N 0.09 -1.13 -1.26 6.23 0.87 0.31 -2.71 113.55 115.94 2jki h SER 41 Ca -0.18 0.04 0.45 0.00 -1.23 0.00 0.00 61.79 60.87 2jki h SER 41 Cb 2.02 0.30 -0.15 0.00 -0.44 0.00 0.00 62.40 64.13 2jki h SER 41 CO 0.21 -0.79 0.78 0.44 -0.53 0.00 0.00 176.83 176.94 2jki h ASP 42 N -1.29 0.25 0.04 6.23 3.45 -1.21 0.56 116.42 124.46 2jki h ASP 42 Ca -0.13 0.18 -0.18 0.00 0.43 0.00 0.00 57.03 57.34 2jki h ASP 42 Cb 1.00 0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2jki h ASP 42 CO 0.20 -0.28 -0.62 0.00 -1.57 0.00 0.00 179.24 176.96 2jki h ALA 43 N 1.72 0.61 -0.26 3.45 0.00 -1.31 -3.00 119.26 120.48 2jki h ALA 43 Ca 0.86 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2jki h ALA 43 Cb 2.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.29 2jki h ALA 43 CO -0.54 0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 179.32 2jki h LEU 44 N 0.42 0.46 -0.76 0.00 3.38 0.39 -1.34 115.31 117.85 2jki h LEU 44 Ca -0.01 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 57.81 2jki h LEU 44 Cb 1.19 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 2jki h LEU 44 CO 0.12 0.68 0.04 0.44 0.09 0.00 0.00 178.44 179.80 2jki h ASP 45 N 0.23 -0.29 0.23 -0.43 3.45 -1.22 -1.24 116.42 117.14 2jki h ASP 45 Ca 0.07 0.19 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 2jki h ASP 45 Cb 0.45 0.33 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 2jki h ASP 45 CO 0.02 -0.17 -0.11 0.11 -1.57 0.00 0.00 179.24 177.52 2jki h LYS 46 N 0.12 -0.29 0.00 3.56 1.57 -1.35 0.21 116.57 120.38 2jki h LYS 46 Ca 0.43 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2jki h LYS 46 Cb 0.76 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2jki h LYS 46 CO -0.65 -0.15 -0.05 0.97 -0.57 0.00 0.00 179.45 179.00 2jki h ILE 47 N -0.37 0.25 0.05 1.86 6.09 -1.35 -0.83 117.51 123.22 2jki h ILE 47 Ca -0.03 -0.35 -0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2jki h ILE 47 Cb 0.28 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.85 2jki h ILE 47 CO 0.05 0.05 -0.02 -0.09 -3.07 0.00 0.00 178.15 175.07 2jki h ARG 48 N 0.00 -0.07 -0.62 2.19 2.43 -0.20 -2.97 114.38 115.14 2jki h ARG 48 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2jki h ARG 48 Cb 0.27 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 2jki h ARG 48 CO 0.01 0.56 0.33 0.35 -1.51 0.00 0.00 179.97 179.70 2jki h PHE 49 N -0.82 0.60 0.00 2.20 3.04 -0.66 0.18 116.94 121.48 2jki h PHE 49 Ca -0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jki h PHE 49 Cb 0.65 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.99 2jki h PHE 49 CO 0.15 0.28 0.03 0.93 -2.02 0.00 0.00 178.31 177.68 2jki h GLU 50 N 0.61 0.00 -0.00 1.11 5.08 -1.22 -2.47 114.58 117.69 2jki h GLU 50 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jki h GLU 50 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jki h GLU 50 CO -0.19 0.00 -0.89 -1.13 -1.00 0.00 0.00 179.01 175.80 2jki n SER 51 N -2.40 1.02 -0.12 1.42 3.41 0.61 -4.08 113.62 113.48 2jki n SER 51 Ca -0.02 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2jki n SER 51 Cb 0.07 0.96 0.27 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.19 0.72 -4.78 1.04 3.38 -1.11 -3.13 115.31 111.63 2jki h LEU 52 Ca 0.00 -0.06 -0.62 0.00 0.09 0.00 0.00 57.88 57.29 2jki h LEU 52 Cb 0.49 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 40.65 2jki h LEU 52 CO 0.00 0.60 -0.47 0.35 0.09 0.00 0.00 178.44 179.01 2jki n THR 53 N -4.37 2.76 0.00 0.22 -2.24 -1.26 -4.76 114.28 104.63 2jki n THR 53 Ca 0.05 -5.04 0.00 0.00 -2.27 0.00 0.00 64.05 56.79 2jki n THR 53 Cb 0.12 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 -0.43 0.00 0.31 3.42 -0.08 -1.18 -5.03 116.55 113.56 2jki n ASP 54 Ca 0.39 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.80 2jki n ASP 54 Cb 0.55 0.00 0.65 0.00 2.34 0.00 0.00 41.12 44.66 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 -0.18 116.57 115.96 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 -2.89 0.00 0.04 7.07 3.41 -1.26 -3.63 113.62 116.36 2jki n SER 56 Ca -0.00 -1.48 -0.12 0.00 -0.26 0.00 0.00 58.87 57.01 2jki n SER 56 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.59 4.33 1.79 -1.36 -3.09 116.57 118.12 2jki h LYS 57 Ca 0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2jki h LYS 57 Cb 0.00 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2jki h LYS 57 CO 0.00 1.05 0.00 1.28 -1.08 0.00 0.00 179.45 180.70 2jki n LEU 58 N -3.83 3.25 -0.32 2.94 4.32 -1.24 -4.33 117.00 117.79 2jki n LEU 58 Ca -0.05 -1.63 0.06 0.00 -0.02 0.00 0.00 56.01 54.37 2jki n LEU 58 Cb 0.74 -0.41 0.22 0.00 -1.62 0.00 0.00 43.42 42.35 2jki n LEU 58 CO 0.50 0.74 1.17 0.44 -1.22 0.00 0.00 177.39 179.02 2jki h ASP 59 N 3.33 0.73 -0.16 -1.43 5.19 -1.74 -1.07 116.42 121.29 2jki h ASP 59 Ca 0.00 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.52 2jki h ASP 59 Cb 0.87 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2jki h ASP 59 CO 0.04 0.37 0.28 0.00 -3.12 0.00 0.00 179.24 176.82 2jki h ALA 60 N 1.52 1.64 0.00 3.45 0.00 -1.83 -3.39 119.26 120.65 2jki h ALA 60 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2jki h ALA 60 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jki h ALA 60 CO -0.29 -0.36 0.00 0.94 0.00 0.00 0.00 179.25 179.53 2jki n GLN 61 N -3.40 0.00 0.08 0.00 0.00 -0.45 -4.52 117.38 109.10 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 0.39 0.00 0.43 0.00 0.00 0.00 0.00 30.24 31.05 2jki n GLN 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2jki n PRO 62 N 0.00 0.21 -3.43 3.69 -0.02 -0.94 -4.78 135.00 129.73 2jki n PRO 62 Ca 0.00 0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 2jki n PRO 62 Cb 0.00 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 2jki n PRO 62 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jki s GLU 63 N -3.08 4.24 -0.42 -0.52 2.02 -1.26 -5.03 118.70 114.65 2jki s GLU 63 Ca 0.11 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 55.07 2jki s GLU 63 Cb 0.14 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.91 2jki s GLU 63 CO 0.59 0.11 0.80 -0.51 0.02 0.00 0.00 175.26 176.28 2jki s LEU 64 N 0.85 4.17 0.21 1.80 1.43 -1.26 -4.72 118.68 121.16 2jki s LEU 64 Ca 0.19 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 2jki s LEU 64 Cb -0.14 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 2jki s LEU 64 CO 0.07 -0.86 0.39 0.72 0.23 0.00 0.00 176.35 176.90 2jki s PHE 65 N 3.28 0.41 -0.08 0.29 -0.12 -1.26 -4.53 117.98 115.97 2jki s PHE 65 Ca 0.31 -0.75 -0.00 0.00 -0.05 0.00 0.00 56.93 56.44 2jki s PHE 65 Cb -0.12 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.36 2jki s PHE 65 CO 0.21 -0.87 -0.05 0.42 -0.05 0.00 0.00 175.22 174.88 2jki s ILE 66 N -4.00 0.70 -0.07 -4.49 1.01 -0.74 -2.55 121.20 111.05 2jki s ILE 66 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2jki s ILE 66 Cb 0.01 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 2jki s ILE 66 CO 0.06 0.29 -0.17 -1.00 0.00 0.00 0.00 174.94 174.12 2jki s HIS 67 N 1.46 2.65 -0.17 3.97 3.76 0.21 -1.26 115.29 125.91 2jki s HIS 67 Ca -0.02 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2jki s HIS 67 Cb -0.13 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.88 2jki s HIS 67 CO -0.04 -0.04 -0.15 0.42 -0.85 0.00 0.00 174.74 174.08 2jki s ILE 68 N -0.27 2.57 -0.34 0.60 1.01 0.05 -1.50 121.20 123.32 2jki s ILE 68 Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.88 2jki s ILE 68 Cb -0.13 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.36 2jki s ILE 68 CO 0.03 0.51 0.12 -0.63 0.00 0.00 0.00 174.94 174.97 2jki s ILE 69 N 1.04 1.23 -0.35 2.92 1.01 0.57 -1.20 121.20 126.42 2jki s ILE 69 Ca -0.01 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 58.61 2jki s ILE 69 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2jki s ILE 69 CO -0.04 -0.71 0.67 -2.16 0.00 0.00 0.00 174.94 172.70 2jki s PRO 70 N 1.21 3.73 -0.46 2.79 0.05 -1.26 -2.06 135.00 139.00 2jki s PRO 70 Ca 0.12 0.16 -0.15 0.00 0.05 0.00 0.00 61.00 61.17 2jki s PRO 70 Cb -0.19 -3.80 0.06 0.00 0.05 0.00 0.00 34.50 30.63 2jki s PRO 70 CO -0.17 -0.74 0.38 0.34 0.05 0.00 0.00 177.00 176.86 2jki s ASP 71 N 1.78 6.14 0.28 6.66 2.15 0.47 -4.79 116.67 129.36 2jki s ASP 71 Ca 0.26 -1.26 -0.01 0.00 0.43 0.00 0.00 52.55 51.98 2jki s ASP 71 Cb -0.14 -2.18 0.48 0.00 -0.30 0.00 0.00 42.92 40.78 2jki s ASP 71 CO 0.15 -0.61 1.87 0.11 -0.17 0.00 0.00 175.17 176.51 2jki h LYS 72 N 8.73 1.06 0.60 4.34 1.79 -1.91 -0.79 116.57 130.40 2jki h LYS 72 Ca -0.28 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2jki h LYS 72 Cb 1.11 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2jki h LYS 72 CO 0.85 0.70 -0.39 0.00 -1.08 0.00 0.00 179.45 179.54 2jki h ALA 73 N 1.49 -1.18 -0.00 3.86 0.00 -1.96 -2.98 119.26 118.49 2jki h ALA 73 Ca 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jki h ALA 73 Cb 0.30 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jki h ALA 73 CO -0.21 -1.15 -0.11 0.25 0.00 0.00 0.00 179.25 178.03 2jki n THR 74 N -4.83 0.00 -3.09 0.00 -2.24 -1.21 -4.93 114.28 97.98 2jki n THR 74 Ca -0.11 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2jki n THR 74 Cb 0.39 -0.24 0.07 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.22 -2.27 -3.97 3.42 7.64 -0.35 -4.86 113.62 112.01 2jki n SER 75 Ca 0.12 -0.48 -0.24 0.00 1.01 0.00 0.00 58.87 59.27 2jki n SER 75 Cb 0.29 -4.09 -0.17 0.00 -1.01 0.00 0.00 64.21 59.24 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 -3.28 0.98 -0.11 0.44 -4.23 -0.93 -1.77 115.64 106.75 2jki s THR 76 Ca 0.02 -0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 2jki s THR 76 Cb -0.00 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 2jki s THR 76 CO 0.57 0.33 0.42 -0.22 -0.54 0.00 0.00 174.62 175.17 2jki s LEU 77 N 0.89 4.30 -0.03 4.79 2.96 -0.87 -0.39 118.68 130.34 2jki s LEU 77 Ca -0.11 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2jki s LEU 77 Cb -0.15 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 43.96 2jki s LEU 77 CO 0.01 0.08 -0.05 0.28 -1.32 0.00 0.00 176.35 175.35 2jki s THR 78 N 0.28 0.52 -0.09 3.68 -1.32 -0.87 -0.08 115.64 117.75 2jki s THR 78 Ca 0.23 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.56 2jki s THR 78 Cb -0.15 -0.50 -0.00 0.00 -1.51 0.00 0.00 72.50 70.34 2jki s THR 78 CO 0.09 0.19 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.82 2jki s ILE 79 N 0.44 2.11 -0.02 5.08 1.01 0.28 -0.31 121.20 129.80 2jki s ILE 79 Ca -0.06 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.61 2jki s ILE 79 Cb -0.09 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2jki s ILE 79 CO -0.00 0.56 -0.09 0.54 0.00 0.00 0.00 174.94 175.95 2jki s VAL 80 N 0.25 0.77 0.18 2.92 0.11 -0.56 -0.01 120.40 124.06 2jki s VAL 80 Ca -0.16 -0.38 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2jki s VAL 80 Cb -0.17 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2jki s VAL 80 CO 0.08 0.23 -0.04 1.51 -3.33 0.00 0.00 175.10 173.54 2jki s ASP 81 N -0.02 1.69 -0.53 3.54 1.47 -0.16 -0.62 116.67 122.04 2jki s ASP 81 Ca 0.00 -1.12 0.01 0.00 1.18 0.00 0.00 52.55 52.63 2jki s ASP 81 Cb -0.06 0.02 0.48 0.00 -0.34 0.00 0.00 42.92 43.03 2jki s ASP 81 CO 0.00 -0.45 1.80 -1.54 0.68 0.00 0.00 175.17 175.66 2jki n SER 82 N -0.29 6.23 -2.41 2.11 3.41 -1.06 -2.48 113.62 119.13 2jki n SER 82 Ca -0.08 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2jki n SER 82 Cb 0.62 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -0.92 -2.10 0.26 5.00 0.00 -1.26 -4.73 105.19 101.44 2jki n GLY 83 Ca 0.56 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.34 0.24 -0.08 -0.61 2.10 -1.55 -3.19 117.51 113.09 2jki h ILE 84 Ca 0.00 -0.71 0.01 0.00 1.08 0.00 0.00 64.86 65.24 2jki h ILE 84 Cb 0.00 1.57 -0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2jki h ILE 84 CO 0.00 0.09 -0.01 0.61 -1.08 0.00 0.00 178.15 177.75 2jki n GLY 85 N -0.02 -1.45 3.23 8.18 0.00 -1.26 -4.41 105.19 109.45 2jki n GLY 85 Ca 0.00 -1.52 -0.28 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 -1.28 1.78 0.85 1.61 1.00 -1.26 -4.82 119.30 117.18 2jki s MET 86 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 55.69 54.81 2jki s MET 86 Cb 0.00 -1.69 0.11 0.00 0.00 0.00 0.00 34.83 33.24 2jki s MET 86 CO 0.00 0.44 1.15 0.95 0.00 0.00 0.00 175.02 177.56 2jki s THR 87 N -0.45 2.15 0.19 2.05 -4.23 -1.26 -3.46 115.64 110.64 2jki s THR 87 Ca 0.07 0.05 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 2jki s THR 87 Cb -0.09 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 70.97 2jki s THR 87 CO -0.00 -0.06 1.83 0.50 -0.54 0.00 0.00 174.62 176.34 2jki h LYS 88 N -1.26 0.92 -0.90 3.99 3.64 -1.96 -1.22 116.57 119.77 2jki h LYS 88 Ca -0.48 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 58.88 2jki h LYS 88 Cb 1.32 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 2jki h LYS 88 CO 0.63 0.66 0.57 1.03 -2.27 0.00 0.00 179.45 180.07 2jki h SER 89 N 0.92 0.89 -0.56 4.20 0.87 -1.99 -0.59 113.55 117.27 2jki h SER 89 Ca 0.24 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2jki h SER 89 Cb -0.02 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 2jki h SER 89 CO -0.04 0.56 0.25 0.44 -0.53 0.00 0.00 176.83 177.51 2jki h ASP 90 N 1.02 0.75 0.15 6.23 3.32 -1.70 -1.34 116.42 124.86 2jki h ASP 90 Ca 0.40 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2jki h ASP 90 Cb 0.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2jki h ASP 90 CO -0.18 0.69 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.75 2jki h LEU 91 N 0.77 -0.57 -1.91 1.55 3.38 -0.00 0.46 115.31 118.98 2jki h LEU 91 Ca 0.19 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2jki h LEU 91 Cb 0.15 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jki h LEU 91 CO -0.02 -0.30 -0.09 0.58 0.09 0.00 0.00 178.44 178.70 2jki h VAL 92 N -0.42 0.92 0.07 1.22 2.07 -1.10 -2.08 116.25 116.94 2jki h VAL 92 Ca 0.02 -0.33 -0.32 0.00 0.82 0.00 0.00 66.70 66.88 2jki h VAL 92 Cb 0.42 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2jki h VAL 92 CO -0.09 0.09 -1.79 0.78 0.02 0.00 0.00 177.57 176.58 2jki h ASN 93 N 0.00 0.24 0.04 0.57 2.35 -0.59 -2.92 115.58 115.26 2jki h ASN 93 Ca -0.00 -0.48 -0.38 0.00 -0.55 0.00 0.00 56.30 54.88 2jki h ASN 93 Cb 0.18 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2jki h ASN 93 CO 0.01 1.43 -2.29 0.59 -1.65 0.00 0.00 177.43 175.52 2jki n ASN 94 N -3.29 2.02 -2.20 5.81 5.03 0.09 -3.19 115.26 119.53 2jki n ASN 94 Ca -0.23 0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.03 2jki n ASN 94 Cb 1.05 -0.60 -0.02 0.00 -1.02 0.00 0.00 39.78 39.19 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 -3.44 6.45 0.00 3.41 4.77 -0.79 -4.71 117.00 122.70 2jki n LEU 95 Ca -0.42 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.88 2jki n LEU 95 Cb 0.99 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2jki n LEU 95 CO 0.30 1.49 0.00 0.61 -1.33 0.00 0.00 177.39 178.46 2jki n GLY 96 N 0.66 0.84 0.12 -0.72 0.00 -1.26 -4.91 105.19 99.91 2jki n GLY 96 Ca 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 1.60 -3.83 2.61 -1.04 -1.10 -1.64 114.28 110.88 2jki n THR 97 Ca 0.00 -0.70 -0.36 0.00 -2.04 0.00 0.00 64.05 60.94 2jki n THR 97 Cb 0.00 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.17 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 -2.55 5.47 -0.47 12.58 -1.09 -1.19 -4.54 121.20 129.41 2jki s ILE 98 Ca -0.19 0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.33 2jki s ILE 98 Cb 0.07 -3.42 0.12 0.00 -1.58 0.00 0.00 42.46 37.65 2jki s ILE 98 CO 0.75 0.56 0.36 0.00 -1.23 0.00 0.00 174.94 175.37 2jki s ALA 99 N -0.54 3.42 1.01 9.38 0.00 -1.26 -4.87 121.76 128.89 2jki s ALA 99 Ca 0.13 -2.49 -0.12 0.00 0.00 0.00 0.00 51.96 49.48 2jki s ALA 99 Cb -0.12 -2.87 0.17 0.00 0.00 0.00 0.00 23.12 20.31 2jki s ALA 99 CO 0.02 -1.89 0.94 0.54 0.00 0.00 0.00 175.76 175.37 2jki n ARG 100 N 4.96 -1.08 -0.30 0.00 1.74 -1.26 -4.86 116.66 115.85 2jki n ARG 100 Ca -0.09 -0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 56.71 2jki n ARG 100 Cb 0.41 -2.21 0.17 0.00 -1.02 0.00 0.00 32.46 29.81 2jki n ARG 100 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jki h SER 101 N -2.10 1.03 0.00 0.55 4.64 -1.96 -2.44 113.55 113.27 2jki h SER 101 Ca -0.49 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2jki h SER 101 Cb 1.29 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2jki h SER 101 CO 0.42 0.75 0.00 1.23 -0.87 0.00 0.00 176.83 178.37 2jki h GLY 102 N 1.21 0.00 1.01 -0.77 0.00 -1.90 -3.03 103.07 99.59 2jki h GLY 102 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 2jki h GLY 102 CO -0.07 0.00 -0.44 -0.84 0.00 0.00 0.00 176.54 175.19 2jki h THR 103 N 0.00 0.09 0.40 4.70 2.02 -1.59 0.39 112.91 118.92 2jki h THR 103 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2jki h THR 103 Cb 0.00 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2jki h THR 103 CO 0.00 0.00 -0.19 0.50 0.37 0.00 0.00 175.52 176.20 2jki h LYS 104 N -1.25 -0.52 -0.76 6.66 3.64 -1.73 -2.70 116.57 119.91 2jki h LYS 104 Ca -0.13 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.43 2jki h LYS 104 Cb 0.95 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 32.75 2jki h LYS 104 CO 0.21 -0.34 -0.30 0.93 -2.27 0.00 0.00 179.45 177.69 2jki h GLU 105 N -0.57 -0.06 -0.11 1.90 5.08 -1.46 -1.74 114.58 117.62 2jki h GLU 105 Ca -0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2jki h GLU 105 Cb 0.43 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2jki h GLU 105 CO 0.09 -0.04 -0.25 0.35 -1.00 0.00 0.00 179.01 178.15 2jki h PHE 106 N -0.06 -0.68 -0.68 4.33 3.57 -0.10 -1.05 116.94 122.27 2jki h PHE 106 Ca 0.32 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.88 2jki h PHE 106 Cb 0.58 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 2jki h PHE 106 CO -0.69 -0.34 0.42 0.52 -2.23 0.00 0.00 178.31 175.99 2jki h MET 107 N -0.33 0.80 0.12 1.11 2.86 -1.01 0.42 114.93 118.89 2jki h MET 107 Ca 0.09 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2jki h MET 107 Cb 0.47 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2jki h MET 107 CO -0.30 0.53 -0.29 0.93 1.06 0.00 0.00 176.91 178.84 2jki h GLU 108 N 0.82 -0.49 -0.87 1.72 5.08 -0.95 -1.54 114.58 118.36 2jki h GLU 108 Ca 0.27 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.80 2jki h GLU 108 Cb 0.03 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 2jki h GLU 108 CO -0.11 -0.32 0.48 0.00 -1.00 0.00 0.00 179.01 178.05 2jki h ALA 109 N 0.20 1.30 -0.24 3.43 0.00 -0.54 -0.34 119.26 123.08 2jki h ALA 109 Ca 0.03 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jki h ALA 109 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2jki h ALA 109 CO -0.17 -0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 178.97 2jki h LEU 110 N 0.71 -0.15 -0.73 0.00 3.38 0.53 -0.52 115.31 118.52 2jki h LEU 110 Ca 0.46 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.35 2jki h LEU 110 Cb 0.59 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2jki h LEU 110 CO -0.33 -0.05 -0.60 0.00 0.09 0.00 0.00 178.44 177.56 2jki h ALA 111 N 1.22 0.93 0.00 1.53 0.00 -0.44 -0.65 119.26 121.85 2jki h ALA 111 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jki h ALA 111 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jki h ALA 111 CO -0.21 0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2jki n ALA 112 N -2.45 2.14 -1.51 0.00 0.00 -0.22 -4.81 120.51 113.67 2jki n ALA 112 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jki n ALA 112 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.17 0.89 3.93 0.00 0.00 -0.26 -5.02 105.19 104.90 2jki n GLY 113 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.22 3.10 -0.08 4.61 0.00 -0.26 -5.00 121.76 121.91 2jki s ALA 114 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2jki s ALA 114 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2jki s ALA 114 CO 0.00 -1.32 0.14 0.34 0.00 0.00 0.00 175.76 174.92 2jki s ASP 115 N -4.51 6.29 0.63 0.00 2.15 -1.26 -4.71 116.67 115.26 2jki s ASP 115 Ca 0.60 0.40 0.39 0.00 0.43 0.00 0.00 52.55 54.37 2jki s ASP 115 Cb -0.11 -2.00 2.16 0.00 -0.30 0.00 0.00 42.92 42.68 2jki s ASP 115 CO 0.45 0.35 2.31 1.62 -0.17 0.00 0.00 175.17 179.74 2jki h VAL 116 N 3.58 0.19 0.00 1.11 3.04 -1.96 -0.24 116.25 121.97 2jki h VAL 116 Ca -0.53 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2jki h VAL 116 Cb 1.21 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2jki h VAL 116 CO 0.62 0.01 0.00 -1.54 -1.01 0.00 0.00 177.57 175.64 2jki n SER 117 N -3.34 0.44 -0.07 3.17 3.41 -1.26 -1.15 113.62 114.82 2jki n SER 117 Ca -0.03 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.43 2jki n SER 117 Cb 0.09 -0.75 0.86 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.08 1.09 0.15 4.33 2.81 -0.10 -3.94 117.12 119.37 2jki n MET 118 Ca -0.01 -0.13 0.18 0.00 -1.81 0.00 0.00 57.70 55.93 2jki n MET 118 Cb 0.05 -1.48 0.77 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.31 0.53 0.07 2.02 2.10 -1.34 -0.72 117.51 120.49 2jki h ILE 119 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jki h ILE 119 Cb 0.07 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 2jki h ILE 119 CO 0.00 0.00 -0.04 1.23 -1.08 0.00 0.00 178.15 178.26 2jki h GLY 120 N 0.00 -0.10 2.00 8.18 0.00 -1.83 -3.10 103.07 108.22 2jki h GLY 120 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2jki h GLY 120 CO -0.00 -0.04 0.00 1.46 0.00 0.00 0.00 176.54 177.96 2jki h GLN 121 N -0.72 0.00 -0.43 4.80 4.20 -1.41 -0.99 115.11 120.56 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 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 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 -2.40 0.55 -0.83 2.96 3.72 -1.08 -4.97 117.46 115.41 2jki n PHE 122 Ca -0.02 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2jki n PHE 122 Cb 0.04 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.52 0.52 1.53 1.37 0.00 -0.38 -3.97 105.19 105.78 2jki n GLY 123 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.82 1.22 -0.30 1.61 0.24 -1.18 -4.91 118.33 112.19 2jki n VAL 124 Ca 0.00 -2.43 0.16 0.00 -2.04 0.00 0.00 64.34 60.03 2jki n VAL 124 Cb 0.02 0.40 0.42 0.00 -1.47 0.00 0.00 33.84 33.21 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 1.43 1.31 0.18 7.63 0.00 -1.77 -2.72 103.07 109.13 2jki h GLY 125 Ca -0.07 -0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.17 2jki h GLY 125 CO 0.17 -0.03 0.58 -2.75 0.00 0.00 0.00 176.54 174.51 2jki h PHE 126 N 0.58 1.02 0.00 5.60 3.57 -1.90 -0.62 116.94 125.18 2jki h PHE 126 Ca 0.52 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.06 2jki h PHE 126 Cb 1.05 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2jki h PHE 126 CO -0.00 0.25 0.00 0.66 -2.23 0.00 0.00 178.31 176.99 2jki n TYR 127 N -4.77 0.00 0.31 0.41 4.01 -1.02 -2.33 117.16 113.76 2jki n TYR 127 Ca 0.22 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.14 2jki n TYR 127 Cb 0.52 -0.47 0.93 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.49 7.72 4.64 -1.26 -0.24 113.55 123.92 2jki h SER 128 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2jki h SER 128 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2jki h SER 128 CO 0.00 0.00 0.33 0.00 -0.87 0.00 0.00 176.83 176.29 2jki h ALA 129 N 1.59 1.88 0.00 5.18 0.00 -1.66 -0.59 119.26 125.66 2jki h ALA 129 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jki h ALA 129 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jki h ALA 129 CO -0.00 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.95 2jki n TYR 130 N -4.48 0.00 -0.23 0.00 4.02 -0.10 -1.10 117.16 115.28 2jki n TYR 130 Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.97 2jki n TYR 130 Cb 0.22 -0.17 0.26 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.85 0.00 7.72 3.38 -1.25 -3.35 115.31 122.66 2jki h LEU 131 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jki h LEU 131 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jki h LEU 131 CO 0.00 0.59 -0.32 1.33 0.09 0.00 0.00 178.44 180.13 2jki n VAL 132 N -4.44 0.00 -4.18 1.22 0.24 -0.86 -5.00 118.33 105.31 2jki n VAL 132 Ca 0.10 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 2jki n VAL 132 Cb 0.09 0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.21 3.16 -0.08 2.33 0.00 -0.26 -0.73 121.76 124.97 2jki s ALA 133 Ca 0.00 -1.22 0.16 0.00 0.00 0.00 0.00 51.96 50.90 2jki s ALA 133 Cb 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 23.12 21.84 2jki s ALA 133 CO 0.00 0.63 0.24 -0.85 0.00 0.00 0.00 175.76 175.78 2jki n GLU 134 N 0.44 0.91 -3.77 0.00 0.28 -0.19 -4.50 120.64 113.82 2jki n GLU 134 Ca -0.11 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 56.66 2jki n GLU 134 Cb 0.53 -1.40 -0.14 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.83 0.07 -0.05 3.44 3.52 -1.22 -4.59 118.95 117.28 2jki s ARG 135 Ca -0.07 0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.88 2jki s ARG 135 Cb 0.08 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 2jki s ARG 135 CO 0.67 -0.14 -0.22 0.08 -0.81 0.00 0.00 175.30 174.88 2jki s VAL 136 N 0.96 2.32 -0.33 7.11 1.01 -0.85 -1.38 120.40 129.25 2jki s VAL 136 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2jki s VAL 136 Cb -0.10 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.53 2jki s VAL 136 CO -0.04 0.58 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 2jki s VAL 137 N -0.41 1.23 -0.13 2.92 1.01 -0.47 -2.15 120.40 122.38 2jki s VAL 137 Ca 0.04 -1.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.10 2jki s VAL 137 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2jki s VAL 137 CO 0.01 -0.68 0.64 -0.69 0.00 0.00 0.00 175.10 174.39 2jki s VAL 138 N 1.35 5.05 -0.08 2.92 1.01 0.55 -2.05 120.40 129.16 2jki s VAL 138 Ca 0.11 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.37 2jki s VAL 138 Cb -0.18 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2jki s VAL 138 CO -0.19 0.19 -0.12 0.28 0.00 0.00 0.00 175.10 175.26 2jki s THR 139 N 1.31 1.19 0.01 3.92 -1.32 -0.58 0.26 115.64 120.44 2jki s THR 139 Ca 0.32 -0.48 -0.03 0.00 -1.21 0.00 0.00 61.69 60.30 2jki s THR 139 Cb -0.16 -1.11 -0.01 0.00 -1.51 0.00 0.00 72.50 69.70 2jki s THR 139 CO 0.13 0.38 0.03 0.28 -2.21 0.00 0.00 174.62 173.23 2jki s THR 140 N 0.95 0.09 -0.07 5.08 -1.32 -0.47 -0.41 115.64 119.49 2jki s THR 140 Ca -0.09 -0.77 -0.01 0.00 -1.21 0.00 0.00 61.69 59.61 2jki s THR 140 Cb -0.15 -0.31 0.03 0.00 -1.51 0.00 0.00 72.50 70.56 2jki s THR 140 CO 0.00 -0.42 -0.00 -0.75 -2.21 0.00 0.00 174.62 171.23 2jki s LYS 141 N -1.33 0.67 -0.07 7.08 2.47 0.20 -1.12 119.74 127.63 2jki s LYS 141 Ca -0.14 0.08 -0.00 0.00 -1.56 0.00 0.00 55.97 54.34 2jki s LYS 141 Cb -0.09 -1.00 -0.03 0.00 -1.46 0.00 0.00 37.83 35.25 2jki s LYS 141 CO -0.00 -0.29 -0.03 -1.58 0.16 0.00 0.00 175.35 173.60 2jki s HIS 142 N 1.91 3.04 0.32 4.03 5.65 -1.22 -1.22 115.29 127.80 2jki s HIS 142 Ca 0.04 0.10 0.14 0.00 0.25 0.00 0.00 55.06 55.59 2jki s HIS 142 Cb -0.12 -1.74 1.05 0.00 -1.18 0.00 0.00 32.58 30.59 2jki s HIS 142 CO -0.05 0.40 1.43 0.09 -0.65 0.00 0.00 174.74 175.96 2jki n ASN 143 N 2.13 0.18 0.09 9.88 3.02 -1.26 -1.14 115.26 128.16 2jki n ASN 143 Ca -0.18 1.51 0.13 0.00 -0.03 0.00 0.00 54.58 56.01 2jki n ASN 143 Cb 0.53 -0.68 0.36 0.00 -0.61 0.00 0.00 39.78 39.38 2jki n ASN 143 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2jki n ASP 144 N -5.13 0.75 -2.91 6.41 10.43 -1.26 -4.88 116.55 119.95 2jki n ASP 144 Ca 0.30 0.45 -0.16 0.00 2.57 0.00 0.00 54.79 57.96 2jki n ASP 144 Cb 1.02 -0.54 -0.05 0.00 1.84 0.00 0.00 41.12 43.38 2jki n ASP 144 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2jki n ASP 145 N -2.18 0.68 -4.89 -2.24 -0.08 -0.30 -5.12 116.55 102.43 2jki n ASP 145 Ca 0.05 -2.46 -0.21 0.00 -1.51 0.00 0.00 54.79 50.66 2jki n ASP 145 Cb 0.43 0.81 0.08 0.00 2.34 0.00 0.00 41.12 44.77 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 2.10 0.15 -0.67 2.02 -1.26 -4.35 118.70 113.68 2jki s GLU 146 Ca 0.17 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 2jki s GLU 146 Cb 0.01 -2.53 -0.08 0.00 0.10 0.00 0.00 34.13 31.63 2jki s GLU 146 CO 0.12 -1.05 1.23 -1.14 0.02 0.00 0.00 175.26 174.45 2jki s GLN 147 N -4.83 4.45 0.24 1.61 0.74 -1.26 -4.44 119.66 116.16 2jki s GLN 147 Ca 0.63 1.90 0.03 0.00 0.05 0.00 0.00 55.36 57.97 2jki s GLN 147 Cb -0.06 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 2jki s GLN 147 CO 0.41 -0.18 0.01 0.71 -0.55 0.00 0.00 175.29 175.68 2jki s TYR 148 N 0.33 1.56 -0.10 1.67 2.02 -0.27 -1.11 117.35 121.46 2jki s TYR 148 Ca 0.56 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2jki s TYR 148 Cb -0.33 -0.91 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2jki s TYR 148 CO 0.34 -0.07 -0.04 0.08 -1.57 0.00 0.00 175.55 174.30 2jki s VAL 149 N -3.45 0.73 -0.11 0.71 1.01 0.15 -1.37 120.40 118.08 2jki s VAL 149 Ca 0.29 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2jki s VAL 149 Cb 0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 2jki s VAL 149 CO 0.09 0.31 0.35 0.86 0.00 0.00 0.00 175.10 176.71 2jki s TRP 150 N 1.83 3.55 -0.04 5.22 -0.00 0.14 -0.98 118.94 128.66 2jki s TRP 150 Ca 0.05 0.76 -0.03 0.00 -0.00 0.00 0.00 56.10 56.87 2jki s TRP 150 Cb -0.13 -2.35 0.02 0.00 -0.00 0.00 0.00 33.47 31.01 2jki s TRP 150 CO -0.07 0.36 0.11 -2.00 -0.00 0.00 0.00 176.95 175.35 2jki s GLU 151 N 0.01 0.10 0.03 5.86 2.12 -0.74 -0.33 118.70 125.76 2jki s GLU 151 Ca 0.20 0.20 -0.20 0.00 0.36 0.00 0.00 54.97 55.53 2jki s GLU 151 Cb -0.14 -0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.27 2jki s GLU 151 CO 0.08 -0.06 0.45 0.45 -0.54 0.00 0.00 175.26 175.64 2jki s SER 152 N 0.39 -0.35 -0.03 -1.70 0.15 -0.92 -1.92 113.70 109.33 2jki s SER 152 Ca -0.03 0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.80 2jki s SER 152 Cb -0.04 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.90 2jki s SER 152 CO -0.02 -0.66 1.14 0.00 1.20 0.00 0.00 173.24 174.91 2jki n GLN 153 N 0.57 2.74 -1.05 5.44 6.02 -1.26 -2.00 117.38 127.84 2jki n GLN 153 Ca -0.19 -1.94 -0.02 0.00 -0.01 0.00 0.00 57.00 54.85 2jki n GLN 153 Cb 0.59 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.29 -0.02 -0.28 -1.58 0.00 -1.26 -4.89 120.51 112.20 2jki n ALA 154 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 2jki n ALA 154 Cb 0.42 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.09 2.59 2.72 0.00 0.00 -1.26 -4.75 105.19 102.39 2jki n GLY 155 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.17 1.29 3.69 -0.02 0.00 -1.26 -4.98 105.19 105.08 2jki n GLY 156 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.15 -0.16 0.18 1.61 1.04 -1.26 -1.93 113.70 110.03 2jki s SER 157 Ca 0.00 -0.81 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 2jki s SER 157 Cb 0.00 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 2jki s SER 157 CO 0.00 -1.22 0.32 0.72 0.98 0.00 0.00 173.24 174.05 2jki s PHE 158 N -3.98 0.42 0.04 5.02 -0.12 0.15 -4.52 117.98 114.99 2jki s PHE 158 Ca 0.18 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.36 2jki s PHE 158 Cb -0.03 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 2jki s PHE 158 CO 0.08 -0.78 -0.21 0.95 -0.05 0.00 0.00 175.22 175.21 2jki s THR 159 N -3.99 1.69 -0.09 -4.49 -4.23 -0.81 -1.01 115.64 102.71 2jki s THR 159 Ca 0.19 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2jki s THR 159 Cb 0.03 -1.46 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 2jki s THR 159 CO 0.03 0.22 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.40 2jki s VAL 160 N -0.79 2.13 0.00 2.29 1.01 -0.62 -1.79 120.40 122.63 2jki s VAL 160 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2jki s VAL 160 Cb -0.09 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2jki s VAL 160 CO 0.02 0.56 -0.01 -0.89 0.00 0.00 0.00 175.10 174.78 2jki s THR 161 N 0.19 0.03 0.25 3.92 2.01 -0.15 -1.11 115.64 120.77 2jki s THR 161 Ca -0.14 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2jki s THR 161 Cb -0.17 -0.06 -0.09 0.00 0.01 0.00 0.00 72.50 72.19 2jki s THR 161 CO 0.07 -0.08 1.15 -0.60 -0.69 0.00 0.00 174.62 174.47 2jki s ARG 162 N -0.24 4.56 -0.17 4.92 3.52 -1.08 0.32 118.95 130.78 2jki s ARG 162 Ca -0.03 1.86 -0.23 0.00 -0.13 0.00 0.00 55.73 57.21 2jki s ARG 162 Cb -0.02 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 2jki s ARG 162 CO -0.00 0.07 0.70 0.34 -0.81 0.00 0.00 175.30 175.61 2jki s ASP 163 N -0.48 6.81 0.08 -2.12 3.68 -0.27 -4.75 116.67 119.62 2jki s ASP 163 Ca 0.48 0.99 0.00 0.00 2.13 0.00 0.00 52.55 56.15 2jki s ASP 163 Cb -0.33 -2.39 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 2jki s ASP 163 CO 0.40 -0.29 0.00 0.35 0.13 0.00 0.00 175.17 175.76 2jki n THR 164 N 4.58 0.68 0.09 1.71 -2.24 -1.26 -4.80 114.28 113.04 2jki n THR 164 Ca 0.01 0.22 0.17 0.00 -2.27 0.00 0.00 64.05 62.18 2jki n THR 164 Cb 0.50 -1.22 0.71 0.00 -2.10 0.00 0.00 70.33 68.21 2jki n THR 164 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jki h SER 165 N 0.00 0.00 -4.30 3.42 4.64 -2.03 -3.45 113.55 111.84 2jki h SER 165 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2jki h SER 165 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 2jki h SER 165 CO 0.00 0.00 0.32 -0.83 -0.87 0.00 0.00 176.83 175.45 2jki s GLY 166 N -4.02 1.67 0.00 -0.77 0.00 -1.26 -4.99 107.32 97.95 2jki s GLY 166 Ca -0.05 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.54 2jki s GLY 166 CO 0.68 0.52 1.00 1.85 0.00 0.00 0.00 173.10 177.15 2jki s GLU 167 N -4.95 4.55 -0.07 2.90 2.12 -1.26 -4.99 118.70 116.99 2jki s GLU 167 Ca 0.61 1.45 -0.28 0.00 0.36 0.00 0.00 54.97 57.11 2jki s GLU 167 Cb -0.16 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 2jki s GLU 167 CO 0.56 -0.07 0.90 -0.65 -0.54 0.00 0.00 175.26 175.45 2jki s GLN 168 N 1.03 4.45 0.40 4.30 -1.52 -1.26 -5.04 119.66 122.02 2jki s GLN 168 Ca 0.53 1.22 -0.15 0.00 -1.95 0.00 0.00 55.36 55.00 2jki s GLN 168 Cb -0.22 -3.50 -0.09 0.00 -0.22 0.00 0.00 33.01 28.99 2jki s GLN 168 CO 0.28 -0.14 0.83 -0.51 -0.25 0.00 0.00 175.29 175.50 2jki s LEU 169 N 1.41 3.91 0.01 2.90 1.43 -1.26 -4.98 118.68 122.10 2jki s LEU 169 Ca 0.45 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.68 2jki s LEU 169 Cb -0.19 -4.23 -0.19 0.00 0.03 0.00 0.00 46.19 41.61 2jki s LEU 169 CO 0.20 -0.35 1.42 1.23 0.23 0.00 0.00 176.35 179.08 2jki h GLY 170 N 1.71 0.00 -4.37 -3.19 0.00 -1.95 -3.47 103.07 91.81 2jki h GLY 170 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2jki h GLY 170 CO 0.63 0.00 0.25 -1.60 0.00 0.00 0.00 176.54 175.82 2jki s ARG 171 N -4.86 0.91 0.00 4.80 3.52 -1.26 -4.76 118.95 117.29 2jki s ARG 171 Ca -0.15 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2jki s ARG 171 Cb 0.03 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.85 2jki s ARG 171 CO 0.67 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 2jki n GLY 172 N 1.34 0.14 3.15 8.12 0.00 -0.35 -4.31 105.19 113.29 2jki n GLY 172 Ca -0.16 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 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 0.01 -0.32 2.61 2.01 -1.03 -0.63 115.64 118.28 2jki s THR 173 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2jki s THR 173 Cb 0.00 -0.39 0.10 0.00 0.01 0.00 0.00 72.50 72.22 2jki s THR 173 CO 0.00 -0.03 0.08 -0.75 -0.69 0.00 0.00 174.62 173.23 2jki s LYS 174 N -0.01 1.00 -0.17 4.92 2.20 0.45 -0.99 119.74 127.14 2jki s LYS 174 Ca -0.01 -1.37 -0.20 0.00 -0.36 0.00 0.00 55.97 54.02 2jki s LYS 174 Cb -0.02 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 2jki s LYS 174 CO 0.01 -0.97 0.58 -1.64 -0.36 0.00 0.00 175.35 172.96 2jki s MET 175 N 1.35 4.25 -0.19 4.03 -1.94 0.98 -1.52 119.30 126.26 2jki s MET 175 Ca 0.10 0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 54.61 2jki s MET 175 Cb -0.18 -3.54 -0.01 0.00 2.01 0.00 0.00 34.83 33.11 2jki s MET 175 CO -0.19 -0.12 -0.07 0.08 -0.01 0.00 0.00 175.02 174.72 2jki s VAL 176 N 1.51 3.31 -0.37 -6.03 1.01 -0.87 -0.55 120.40 118.41 2jki s VAL 176 Ca 0.28 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2jki s VAL 176 Cb -0.16 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jki s VAL 176 CO 0.11 0.46 0.20 -0.76 0.00 0.00 0.00 175.10 175.10 2jki s LEU 177 N 1.08 4.67 -0.58 3.92 1.02 0.88 -1.37 118.68 128.31 2jki s LEU 177 Ca 0.01 -1.00 -0.28 0.00 0.02 0.00 0.00 54.13 52.88 2jki s LEU 177 Cb -0.15 -2.01 0.03 0.00 0.02 0.00 0.00 46.19 44.09 2jki s LEU 177 CO -0.01 -0.38 1.16 -0.31 0.02 0.00 0.00 176.35 176.83 2jki s TYR 178 N 1.54 2.63 0.31 0.29 1.51 -0.48 -2.04 117.35 121.11 2jki s TYR 178 Ca 0.02 0.36 -0.28 0.00 -1.01 0.00 0.00 57.07 56.16 2jki s TYR 178 Cb -0.19 -4.46 -0.09 0.00 -0.11 0.00 0.00 41.96 37.11 2jki s TYR 178 CO 0.06 -1.55 1.04 -0.51 -1.11 0.00 0.00 175.55 173.48 2jki s LEU 179 N 4.82 4.44 0.89 -1.29 1.43 -0.73 -1.03 118.68 127.22 2jki s LEU 179 Ca 0.41 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.50 2jki s LEU 179 Cb -0.08 -3.82 0.13 0.00 0.03 0.00 0.00 46.19 42.45 2jki s LEU 179 CO 0.25 -0.17 1.10 -0.54 0.23 0.00 0.00 176.35 177.21 2jki s LYS 180 N -1.74 1.26 0.05 1.70 1.02 0.09 -4.73 119.74 117.38 2jki s LYS 180 Ca 0.48 1.05 -0.23 0.00 0.02 0.00 0.00 55.97 57.29 2jki s LYS 180 Cb -0.27 -1.79 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 2jki s LYS 180 CO 0.34 -2.31 1.36 -0.44 -0.92 0.00 0.00 175.35 173.38 2jki h ASP 181 N -1.61 -0.89 -0.58 2.83 5.19 -1.96 -2.56 116.42 116.85 2jki h ASP 181 Ca -0.48 0.07 0.17 0.00 -0.62 0.00 0.00 57.03 56.17 2jki h ASP 181 Cb 1.27 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 2jki h ASP 181 CO 0.51 -0.44 0.49 -2.24 -3.12 0.00 0.00 179.24 174.44 2jki h ASP 182 N -0.66 0.00 -0.24 6.45 2.03 -1.97 -2.88 116.42 119.15 2jki h ASP 182 Ca -0.04 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.17 2jki h ASP 182 Cb 0.57 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.02 2jki h ASP 182 CO -0.03 0.00 0.11 0.00 -1.03 0.00 0.00 179.24 178.28 2jki n GLN 183 N -4.04 1.73 0.00 4.15 1.13 -0.96 -4.42 117.38 114.96 2jki n GLN 183 Ca 0.11 -0.91 0.09 0.00 -1.94 0.00 0.00 57.00 54.35 2jki n GLN 183 Cb 0.71 -1.52 0.48 0.00 0.11 0.00 0.00 30.24 30.02 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 0.09 0.38 0.18 -1.09 1.56 -1.09 -3.30 117.12 113.85 2jki n MET 184 Ca 0.13 0.07 0.13 0.00 -0.27 0.00 0.00 57.70 57.77 2jki n MET 184 Cb 0.70 -1.50 0.35 0.00 2.15 0.00 0.00 33.22 34.92 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 -0.84 2.12 4.11 -1.90 -3.16 114.58 114.92 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 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 -2.74 0.57 0.26 2.06 4.01 -1.21 -2.87 117.16 117.24 2jki n TYR 186 Ca 0.04 -0.20 0.08 0.00 -0.16 0.00 0.00 57.90 57.65 2jki n TYR 186 Cb 0.44 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.17 0.27 -4.76 7.72 4.77 -1.19 -4.84 117.00 119.14 2jki n LEU 187 Ca 0.08 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.47 2jki n LEU 187 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2jki n LEU 187 CO 0.09 0.07 0.72 -1.61 -1.33 0.00 0.00 177.39 175.33 2jki s GLU 188 N -2.84 4.73 0.20 3.23 0.41 -1.14 -4.85 118.70 118.44 2jki s GLU 188 Ca -0.01 1.64 -0.09 0.00 -0.41 0.00 0.00 54.97 56.09 2jki s GLU 188 Cb 0.11 -3.20 0.12 0.00 -1.78 0.00 0.00 34.13 29.38 2jki s GLU 188 CO 0.64 0.35 1.76 1.49 -0.49 0.00 0.00 175.26 179.01 2jki h GLU 189 N 3.92 1.07 -0.35 1.61 4.81 -1.94 -2.38 114.58 121.32 2jki h GLU 189 Ca -0.46 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 2jki h GLU 189 Cb 1.21 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2jki h GLU 189 CO 0.67 0.87 0.16 -0.09 -0.73 0.00 0.00 179.01 179.90 2jki h ARG 190 N 1.02 0.50 -0.24 1.92 2.43 -1.96 -1.74 114.38 116.31 2jki h ARG 190 Ca 0.24 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2jki h ARG 190 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2jki h ARG 190 CO -0.02 0.46 0.14 -0.09 -1.51 0.00 0.00 179.97 178.96 2jki h ARG 191 N 0.42 0.33 -0.48 0.20 9.65 -1.83 -1.88 114.38 120.79 2jki h ARG 191 Ca 0.12 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2jki h ARG 191 Cb 0.13 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 2jki h ARG 191 CO -0.01 0.28 0.21 0.82 2.80 0.00 0.00 179.97 184.07 2jki h ILE 192 N 0.29 1.20 -0.70 1.20 2.04 -1.29 -0.73 117.51 119.53 2jki h ILE 192 Ca 0.09 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2jki h ILE 192 Cb 0.04 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2jki h ILE 192 CO -0.02 0.23 0.44 0.50 0.00 0.00 0.00 178.15 179.30 2jki h LYS 193 N 0.64 0.92 0.73 2.37 3.64 -1.05 -1.00 116.57 122.82 2jki h LYS 193 Ca 0.16 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2jki h LYS 193 Cb 0.15 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2jki h LYS 193 CO -0.02 0.63 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.98 2jki h ASP 194 N 0.95 -0.90 -0.58 4.20 5.19 -0.70 -2.49 116.42 122.10 2jki h ASP 194 Ca 0.25 0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.79 2jki h ASP 194 Cb -0.08 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 39.59 2jki h ASP 194 CO -0.05 -0.62 0.17 -0.07 -3.12 0.00 0.00 179.24 175.55 2jki h LEU 195 N -1.01 0.12 0.38 1.55 3.38 -0.55 0.18 115.31 119.35 2jki h LEU 195 Ca -0.10 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jki h LEU 195 Cb 0.78 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2jki h LEU 195 CO 0.15 0.08 -0.48 0.58 0.09 0.00 0.00 178.44 178.86 2jki h VAL 196 N 0.33 0.06 -1.00 1.22 2.07 -1.23 -1.92 116.25 115.78 2jki h VAL 196 Ca 0.29 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.00 2jki h VAL 196 Cb 0.39 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 2jki h VAL 196 CO -0.33 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.37 2jki h LYS 197 N -0.89 0.76 0.00 1.57 1.63 -0.79 -1.41 116.57 117.44 2jki h LYS 197 Ca -0.04 -0.05 -0.06 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 32.26 2jki h LYS 197 CO -0.12 0.50 -0.28 -0.09 -3.45 0.00 0.00 179.45 176.01 2jki h ARG 198 N 0.78 0.00 0.00 1.90 2.43 0.11 -3.33 114.38 116.27 2jki h ARG 198 Ca 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 2jki h ARG 198 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2jki h ARG 198 CO -0.36 0.28 -0.43 0.72 -1.51 0.00 0.00 179.97 178.67 2jki n HIS 199 N -3.58 0.00 -3.20 2.20 8.25 -1.03 -4.86 115.22 113.00 2jki n HIS 199 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 2jki n HIS 199 Cb 0.42 0.00 -0.04 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 -0.92 5.01 -0.53 0.41 7.64 -0.56 -4.69 113.62 119.98 2jki n SER 200 Ca 0.00 -3.46 0.06 0.00 1.01 0.00 0.00 58.87 56.48 2jki n SER 200 Cb 0.00 -0.92 0.19 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.94 1.57 0.00 1.43 4.07 -1.26 -4.40 120.64 123.00 2jki n GLU 201 Ca 0.29 -3.11 0.00 0.00 -0.06 0.00 0.00 57.16 54.28 2jki n GLU 201 Cb 0.37 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 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 -3.61 4.31 3.72 -1.26 -5.10 117.46 114.33 2jki n PHE 202 Ca 0.20 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.23 2jki n PHE 202 Cb 0.72 0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.18 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 5.34 -0.63 4.37 2.07 -1.26 -5.01 121.20 126.08 2jki s ILE 203 Ca 0.00 0.34 0.00 0.00 -1.41 0.00 0.00 60.65 59.58 2jki s ILE 203 Cb 0.00 -3.55 0.42 0.00 0.13 0.00 0.00 42.46 39.46 2jki s ILE 203 CO 0.00 0.37 1.78 -1.54 -1.91 0.00 0.00 174.94 173.63 2jki n SER 204 N 3.96 6.82 -4.07 4.50 3.41 -1.26 -4.91 113.62 122.06 2jki n SER 204 Ca -0.14 -3.79 -0.09 0.00 -0.26 0.00 0.00 58.87 54.60 2jki n SER 204 Cb 0.52 -0.83 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 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 -3.83 0.52 -0.27 7.33 2.02 -1.26 -5.10 117.35 116.76 2jki s TYR 205 Ca 0.57 -0.82 -0.33 0.00 -0.37 0.00 0.00 57.07 56.12 2jki s TYR 205 Cb 0.46 -0.35 -0.09 0.00 -0.40 0.00 0.00 41.96 41.57 2jki s TYR 205 CO -0.14 -0.25 2.15 -0.35 -1.57 0.00 0.00 175.55 175.39 2jki n PRO 206 N 0.68 1.51 -3.61 -1.71 -0.04 -1.26 -4.88 135.00 125.69 2jki n PRO 206 Ca -0.18 0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 2jki n PRO 206 Cb 0.58 -2.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.22 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 7.16 5.33 0.16 0.52 1.01 -1.26 -1.80 121.20 132.32 2jki s ILE 207 Ca 1.04 0.22 0.10 0.00 0.00 0.00 0.00 60.65 62.01 2jki s ILE 207 Cb -0.67 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2jki s ILE 207 CO 0.45 0.30 -0.17 -0.44 0.00 0.00 0.00 174.94 175.08 2jki s SER 208 N 1.30 3.88 -0.34 3.58 0.01 -0.39 -1.87 113.70 119.87 2jki s SER 208 Ca 0.08 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.73 2jki s SER 208 Cb -0.14 -0.52 0.10 0.00 0.21 0.00 0.00 66.02 65.66 2jki s SER 208 CO 0.07 0.14 0.05 -0.22 0.41 0.00 0.00 173.24 173.69 2jki s LEU 209 N -2.50 4.75 -0.14 2.44 1.98 0.12 -0.77 118.68 124.57 2jki s LEU 209 Ca 0.21 -2.16 0.01 0.00 -2.89 0.00 0.00 54.13 49.30 2jki s LEU 209 Cb -0.09 -1.62 0.21 0.00 0.66 0.00 0.00 46.19 45.34 2jki s LEU 209 CO 0.12 -0.38 1.28 0.79 -1.89 0.00 0.00 176.35 176.26 2jki n TRP 210 N 4.25 0.94 -0.98 5.38 7.02 -0.34 -3.55 117.44 130.16 2jki n TRP 210 Ca 0.04 -0.91 -0.21 0.00 -1.02 0.00 0.00 57.50 55.40 2jki n TRP 210 Cb 0.42 -0.46 -0.09 0.00 -2.42 0.00 0.00 31.31 28.76 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 -0.01 3.11 -0.86 -0.99 -1.04 -1.26 -4.62 114.28 108.62 2jki n THR 211 Ca 0.18 -1.72 0.00 0.00 -2.04 0.00 0.00 64.05 60.47 2jki n THR 211 Cb 0.86 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 3.14 0.00 0.00 -2.82 4.71 -1.26 -4.95 120.64 119.46 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 0.51 -0.42 0.00 0.00 -1.01 0.00 0.00 31.44 30.52 2jki n GLU 212 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2jki n LYS 213 N 0.38 0.00 -3.27 3.49 5.02 -1.26 -4.91 118.16 117.61 2jki n LYS 213 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2jki n LYS 213 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2jki n LYS 213 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2jki s THR 214 N 0.00 2.38 0.21 -0.18 -1.32 -1.23 -4.62 115.64 110.89 2jki s THR 214 Ca 0.00 -1.15 0.08 0.00 -1.21 0.00 0.00 61.69 59.41 2jki s THR 214 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.42 2jki s THR 214 CO 0.00 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 172.88 2jki s THR 215 N -2.56 3.87 0.00 5.08 -4.23 -1.26 0.15 115.64 116.69 2jki s THR 215 Ca 0.53 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2jki s THR 215 Cb -0.06 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2jki s THR 215 CO 0.32 -0.22 0.00 -1.84 -0.54 0.00 0.00 174.62 172.34 2jki n GLU 216 N -0.54 0.00 0.00 3.99 0.00 -0.78 -4.94 120.64 118.37 2jki n GLU 216 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.18 2jki n GLU 216 Cb 0.57 0.00 0.08 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