#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkx n SER 2 N 0.00 0.00 -3.54 0.00 2.88 -1.26 -3.97 113.62 107.74 2jkx n SER 2 Ca 0.00 -0.29 -0.16 0.00 -1.33 0.00 0.00 58.87 57.09 2jkx n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2jkx n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jkx s ALA 3 N -1.69 -1.60 0.60 -1.46 0.00 -1.21 -4.70 121.76 111.69 2jkx s ALA 3 Ca 0.00 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 2jkx s ALA 3 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2jkx s ALA 3 CO 0.00 -0.42 1.04 -1.25 0.00 0.00 0.00 175.76 175.13 2jkx s PRO 4 N -1.66 3.38 0.13 0.00 0.04 -1.26 -4.97 135.00 130.66 2jkx s PRO 4 Ca -0.09 1.06 0.24 0.00 0.04 0.00 0.00 61.00 62.24 2jkx s PRO 4 Cb -0.01 -2.05 0.21 0.00 0.04 0.00 0.00 34.50 32.70 2jkx s PRO 4 CO 0.05 -0.75 1.21 -0.84 0.04 0.00 0.00 177.00 176.71 2jkx h ILE 5 N 0.20 0.00 -3.84 0.56 3.07 -1.93 -3.48 117.51 112.09 2jkx h ILE 5 Ca -0.46 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.35 2jkx h ILE 5 Cb 1.21 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2jkx h ILE 5 CO 0.58 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.29 2jkx n GLY 6 N 1.31 3.55 3.63 0.16 0.00 -1.26 -4.95 105.19 107.62 2jkx n GLY 6 Ca 0.02 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 2jkx n GLY 6 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jkx s SER 7 N -0.82 4.92 0.23 1.61 0.01 -0.35 -4.77 113.70 114.54 2jkx s SER 7 Ca 0.00 0.06 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 2jkx s SER 7 Cb 0.00 -1.31 -0.11 0.00 0.21 0.00 0.00 66.02 64.80 2jkx s SER 7 CO 0.00 0.37 1.61 0.00 0.41 0.00 0.00 173.24 175.63 2jkx s ALA 8 N -0.83 3.80 0.12 1.44 0.00 -1.26 -0.88 121.76 124.15 2jkx s ALA 8 Ca 0.13 1.51 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 2jkx s ALA 8 Cb -0.11 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 2jkx s ALA 8 CO 0.02 -0.89 0.93 0.42 0.00 0.00 0.00 175.76 176.24 2jkx s ILE 9 N 0.62 4.48 0.18 0.00 1.01 0.49 -4.88 121.20 123.09 2jkx s ILE 9 Ca 0.68 2.02 -0.32 0.00 0.00 0.00 0.00 60.65 63.03 2jkx s ILE 9 Cb -0.47 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 37.59 2jkx s ILE 9 CO 0.39 0.35 1.70 -0.55 0.00 0.00 0.00 174.94 176.82 2jkx s SER 10 N -0.15 6.45 0.00 3.58 0.15 -1.26 -4.77 113.70 117.69 2jkx s SER 10 Ca 0.45 2.77 0.17 0.00 0.70 0.00 0.00 55.95 60.04 2jkx s SER 10 Cb -0.23 -2.59 0.48 0.00 -1.71 0.00 0.00 66.02 61.97 2jkx s SER 10 CO 0.29 -0.94 1.40 0.54 1.20 0.00 0.00 173.24 175.73 2jkx n ARG 11 N 4.34 2.76 -0.24 5.44 1.74 -1.26 -4.71 116.66 124.72 2jkx n ARG 11 Ca 0.16 -2.36 0.01 0.00 -0.77 0.00 0.00 57.85 54.89 2jkx n ARG 11 Cb 0.37 -1.43 0.08 0.00 -1.02 0.00 0.00 32.46 30.46 2jkx n ARG 11 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jkx h ASN 12 N 3.27 -0.64 -0.34 0.55 2.35 -1.94 -2.57 115.58 116.25 2jkx h ASN 12 Ca 0.00 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2jkx h ASN 12 Cb 0.87 0.44 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2jkx h ASN 12 CO 0.00 -0.23 0.00 0.59 -1.65 0.00 0.00 177.43 176.14 2jkx n ASN 13 N -5.47 4.06 -4.77 5.81 3.02 -1.26 -5.01 115.26 111.64 2jkx n ASN 13 Ca 0.10 -2.84 -0.41 0.00 -0.03 0.00 0.00 54.58 51.40 2jkx n ASN 13 Cb 0.37 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 2jkx n ASN 13 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2jkx s TRP 14 N -2.53 2.98 -0.11 3.10 0.52 -0.97 -4.74 118.94 117.20 2jkx s TRP 14 Ca 0.42 1.38 -0.02 0.00 0.02 0.00 0.00 56.10 57.90 2jkx s TRP 14 Cb 0.32 -3.73 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2jkx s TRP 14 CO 0.12 -2.02 -0.03 0.00 0.02 0.00 0.00 176.95 175.03 2jkx s ALA 15 N -1.12 3.10 0.05 0.98 0.00 -0.48 -5.00 121.76 119.29 2jkx s ALA 15 Ca 0.50 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2jkx s ALA 15 Cb -0.41 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2jkx s ALA 15 CO 0.54 0.44 -0.21 0.14 0.00 0.00 0.00 175.76 176.67 2jkx s VAL 16 N -0.37 1.67 -0.01 0.00 -7.23 -1.26 0.30 120.40 113.49 2jkx s VAL 16 Ca 0.06 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2jkx s VAL 16 Cb -0.12 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 2jkx s VAL 16 CO 0.02 0.16 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.01 2jkx s THR 17 N -0.86 0.57 0.21 5.32 2.01 0.53 -4.87 115.64 118.55 2jkx s THR 17 Ca 0.07 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 61.90 2jkx s THR 17 Cb -0.09 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2jkx s THR 17 CO 0.02 0.17 -0.23 0.00 -0.69 0.00 0.00 174.62 173.90 2jkx h ASP 19 N 2.99 0.83 -5.03 0.00 2.03 -1.82 -3.45 116.42 111.98 2jkx h ASP 19 Ca -0.45 -0.21 -0.05 0.00 -0.73 0.00 0.00 57.03 55.59 2jkx h ASP 19 Cb 1.22 -0.22 -0.15 0.00 -0.83 0.00 0.00 39.33 39.35 2jkx h ASP 19 CO 0.51 0.90 0.05 -0.94 -1.03 0.00 0.00 179.24 178.73 2jkx s SER 20 N -6.63 -0.43 -0.14 4.15 1.04 -1.26 -5.05 113.70 105.38 2jkx s SER 20 Ca -0.10 0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.32 2jkx s SER 20 Cb 0.14 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2jkx s SER 20 CO 0.82 -0.80 0.31 0.00 0.98 0.00 0.00 173.24 174.56 2jkx s ALA 21 N -2.97 -0.74 0.42 5.32 0.00 -1.26 -4.32 121.76 118.20 2jkx s ALA 21 Ca -0.02 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 2jkx s ALA 21 Cb -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 2jkx s ALA 21 CO -0.06 -0.54 1.40 -1.14 0.00 0.00 0.00 175.76 175.42 2jkx s GLN 22 N 2.14 3.86 0.28 0.00 2.00 0.02 -4.79 119.66 123.18 2jkx s GLN 22 Ca -0.03 2.38 -0.30 0.00 -2.00 0.00 0.00 55.36 55.41 2jkx s GLN 22 Cb -0.11 -2.76 -0.11 0.00 0.80 0.00 0.00 33.01 30.82 2jkx s GLN 22 CO -0.10 -0.66 1.61 0.45 -0.50 0.00 0.00 175.29 176.09 2jkx s SER 23 N -0.49 6.37 0.00 6.67 0.15 -1.26 -0.98 113.70 124.16 2jkx s SER 23 Ca 0.58 2.94 0.00 0.00 0.70 0.00 0.00 55.95 60.17 2jkx s SER 23 Cb -0.43 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 2jkx s SER 23 CO 0.56 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2jkx n GLY 24 N 2.37 2.77 2.52 9.45 0.00 -1.26 -4.86 105.19 116.18 2jkx n GLY 24 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2jkx n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jkx n ASN 25 N 0.00 3.82 -4.74 1.61 3.02 -0.15 -4.90 115.26 113.93 2jkx n ASN 25 Ca 0.00 -3.44 -0.35 0.00 -0.03 0.00 0.00 54.58 50.76 2jkx n ASN 25 Cb 0.00 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 38.76 2jkx n ASN 25 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jkx s GLU 26 N -3.43 2.59 0.33 3.52 8.01 -1.20 -2.42 118.70 126.10 2jkx s GLU 26 Ca 0.42 1.80 0.12 0.00 0.01 0.00 0.00 54.97 57.32 2jkx s GLU 26 Cb 0.42 -1.88 1.03 0.00 -4.31 0.00 0.00 34.13 29.38 2jkx s GLU 26 CO -0.12 -1.50 1.63 0.00 0.01 0.00 0.00 175.26 175.29 2jkx n ASN 28 N -5.17 0.00 0.25 0.00 0.23 -1.26 -2.68 115.26 106.63 2jkx n ASN 28 Ca 0.30 0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.52 2jkx n ASN 28 Cb 0.96 -0.31 0.73 0.00 -2.08 0.00 0.00 39.78 39.08 2jkx n ASN 28 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jkx h LYS 29 N 0.00 0.00 -0.00 -3.83 1.79 -1.27 -2.08 116.57 111.17 2jkx h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jkx h LYS 29 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2jkx h LYS 29 CO 0.00 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 178.35 2jkx n ALA 30 N -2.02 2.58 -1.69 3.86 0.00 -1.09 -3.89 120.51 118.26 2jkx n ALA 30 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2jkx n ALA 30 Cb 0.24 -1.47 0.09 0.00 0.00 0.00 0.00 19.45 18.32 2jkx n ALA 30 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2jkx n ILE 31 N -1.14 1.08 1.06 0.00 -5.35 -0.79 -0.38 119.36 113.83 2jkx n ILE 31 Ca 0.17 -1.59 0.12 0.00 -0.27 0.00 0.00 62.75 61.18 2jkx n ILE 31 Cb 0.21 0.19 0.31 0.00 -1.74 0.00 0.00 39.64 38.61 2jkx n ILE 31 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jkx n ASP 32 N -0.62 2.35 0.00 7.28 5.68 -1.20 -4.94 116.55 125.10 2jkx n ASP 32 Ca 0.10 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2jkx n ASP 32 Cb 0.76 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2jkx n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkx n GLY 33 N 1.28 0.46 3.25 6.12 0.00 -1.26 -5.00 105.19 110.04 2jkx n GLY 33 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2jkx n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jkx s ASN 34 N -2.12 4.80 0.17 1.61 3.84 -1.26 -4.98 114.94 117.00 2jkx s ASN 34 Ca 0.00 -0.94 0.19 0.00 0.21 0.00 0.00 52.86 52.32 2jkx s ASN 34 Cb 0.00 -1.76 0.83 0.00 -0.55 0.00 0.00 41.25 39.77 2jkx s ASN 34 CO 0.00 -0.20 1.59 2.29 -2.79 0.00 0.00 177.10 177.99 2jkx n LYS 35 N 4.74 0.12 0.00 0.43 0.00 -1.26 -2.26 118.16 119.93 2jkx n LYS 35 Ca -0.15 0.39 0.12 0.00 -0.00 0.00 0.00 58.31 58.67 2jkx n LYS 35 Cb 0.46 -1.74 0.17 0.00 -0.00 0.00 0.00 35.03 33.92 2jkx n LYS 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jkx n ASP 36 N -1.97 1.28 -4.62 -5.58 8.00 -1.26 -4.24 116.55 108.16 2jkx n ASP 36 Ca 0.02 -1.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.16 2jkx n ASP 36 Cb 0.18 0.37 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 2jkx n ASP 36 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jkx s THR 37 N -2.63 3.96 0.02 -3.53 -4.23 -0.96 -4.97 115.64 103.31 2jkx s THR 37 Ca 0.19 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2jkx s THR 37 Cb 0.18 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 2jkx s THR 37 CO 0.61 0.60 -0.01 0.72 -0.54 0.00 0.00 174.62 175.99 2jkx s PHE 38 N -0.80 0.21 0.37 3.99 -0.71 -1.26 -4.45 117.98 115.32 2jkx s PHE 38 Ca 0.12 -0.43 -0.26 0.00 -1.04 0.00 0.00 56.93 55.32 2jkx s PHE 38 Cb -0.11 -0.15 -0.09 0.00 -1.21 0.00 0.00 43.02 41.45 2jkx s PHE 38 CO 0.02 -0.18 1.11 -0.46 -1.34 0.00 0.00 175.22 174.37 2jkx s TRP 39 N -1.27 3.26 -0.10 3.49 -0.00 -0.25 -4.50 118.94 119.57 2jkx s TRP 39 Ca -0.14 1.62 -0.06 0.00 -0.00 0.00 0.00 56.10 57.52 2jkx s TRP 39 Cb -0.09 -3.28 0.04 0.00 -0.00 0.00 0.00 33.47 30.14 2jkx s TRP 39 CO -0.01 -0.90 0.23 -1.58 -0.00 0.00 0.00 176.95 174.70 2jkx s HIS 40 N -1.43 -0.29 0.96 5.86 5.65 -1.02 -1.63 115.29 123.39 2jkx s HIS 40 Ca 0.54 0.70 -0.12 0.00 0.25 0.00 0.00 55.06 56.43 2jkx s HIS 40 Cb -0.28 0.06 0.17 0.00 -1.18 0.00 0.00 32.58 31.34 2jkx s HIS 40 CO 0.36 -0.19 1.10 0.95 -0.65 0.00 0.00 174.74 176.31 2jkx s THR 41 N 0.81 2.23 0.17 0.89 -4.23 -0.63 -0.80 115.64 114.09 2jkx s THR 41 Ca -0.06 0.07 -0.33 0.00 -1.18 0.00 0.00 61.69 60.20 2jkx s THR 41 Cb -0.07 -2.60 -0.16 0.00 1.34 0.00 0.00 72.50 71.01 2jkx s THR 41 CO -0.05 -0.10 1.11 0.49 -0.54 0.00 0.00 174.62 175.54 2jkx n PHE 42 N -4.05 1.17 -3.65 3.99 0.99 -1.26 -4.28 117.46 110.36 2jkx n PHE 42 Ca 0.06 0.71 -0.13 0.00 -0.00 0.00 0.00 57.45 58.09 2jkx n PHE 42 Cb 0.57 -2.25 -0.06 0.00 -1.00 0.00 0.00 39.48 36.74 2jkx n PHE 42 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.76 178.28 2jkx s TYR 43 N -0.28 -0.30 0.00 1.38 -0.85 -0.98 -4.20 117.35 112.12 2jkx s TYR 43 Ca 0.73 0.29 0.00 0.00 -0.52 0.00 0.00 57.07 57.57 2jkx s TYR 43 Cb -0.87 0.24 0.00 0.00 0.38 0.00 0.00 41.96 41.72 2jkx s TYR 43 CO 0.53 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 174.39 2jkx n GLY 44 N 0.52 1.05 0.25 5.49 0.00 -1.24 -3.36 105.19 107.89 2jkx n GLY 44 Ca -0.19 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 2jkx n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkx h ALA 45 N -0.61 0.79 -0.03 4.61 0.00 -2.03 -2.89 119.26 119.10 2jkx h ALA 45 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jkx h ALA 45 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jkx h ALA 45 CO 0.00 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.57 2jkx n ASN 46 N -4.64 0.36 0.00 0.00 3.02 -1.21 -5.02 115.26 107.76 2jkx n ASN 46 Ca 0.05 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 2jkx n ASN 46 Cb 0.03 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2jkx n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkx n GLY 47 N 0.92 -0.92 2.75 7.41 0.00 -1.09 -4.81 105.19 109.44 2jkx n GLY 47 Ca 0.17 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2jkx n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkx n ASP 48 N -1.47 3.89 -4.73 1.61 8.00 -1.26 -2.32 116.55 120.28 2jkx n ASP 48 Ca 0.00 -3.32 -0.42 0.00 0.71 0.00 0.00 54.79 51.77 2jkx n ASP 48 Cb 0.00 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 2jkx n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2jkx s PRO 49 N -2.01 4.20 0.67 -0.24 0.04 -1.26 -4.90 135.00 131.51 2jkx s PRO 49 Ca 0.32 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 2jkx s PRO 49 Cb 0.04 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 2jkx s PRO 49 CO -0.07 -0.58 1.06 0.15 0.04 0.00 0.00 177.00 177.60 2jkx s LYS 50 N 0.51 3.13 0.95 4.56 1.02 -1.26 -4.60 119.74 124.05 2jkx s LYS 50 Ca 0.67 0.76 -0.12 0.00 0.02 0.00 0.00 55.97 57.29 2jkx s LYS 50 Cb -0.44 -2.03 0.16 0.00 -0.52 0.00 0.00 37.83 35.00 2jkx s LYS 50 CO 0.37 -0.91 1.10 -2.14 -0.92 0.00 0.00 175.35 172.85 2jkx s PRO 51 N -5.16 0.83 0.35 -1.68 0.02 -1.19 -4.67 135.00 123.49 2jkx s PRO 51 Ca 0.57 0.54 -0.29 0.00 0.02 0.00 0.00 61.00 61.84 2jkx s PRO 51 Cb -0.12 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 2jkx s PRO 51 CO 0.54 -2.47 1.42 -2.14 -0.33 0.00 0.00 177.00 174.02 2jkx s PRO 52 N -5.03 4.22 0.13 5.54 0.02 -1.25 -4.96 135.00 133.66 2jkx s PRO 52 Ca 0.64 2.41 0.09 0.00 0.02 0.00 0.00 61.00 64.17 2jkx s PRO 52 Cb -0.17 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2jkx s PRO 52 CO 0.56 -0.39 -0.20 -1.01 -0.33 0.00 0.00 177.00 175.63 2jkx s HIS 53 N -0.99 2.49 -0.05 6.54 3.76 0.14 -4.96 115.29 122.22 2jkx s HIS 53 Ca 0.52 -0.29 0.02 0.00 -0.15 0.00 0.00 55.06 55.17 2jkx s HIS 53 Cb -0.44 -1.32 0.01 0.00 1.11 0.00 0.00 32.58 31.95 2jkx s HIS 53 CO 0.57 0.39 -0.10 0.99 -0.85 0.00 0.00 174.74 175.74 2jkx s THR 54 N -1.18 0.94 -0.26 1.30 2.01 -1.26 0.76 115.64 117.95 2jkx s THR 54 Ca 0.18 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 2jkx s THR 54 Cb -0.10 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.58 2jkx s THR 54 CO 0.10 0.30 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.80 2jkx s TYR 55 N 0.56 3.12 -0.11 4.92 6.14 0.17 -2.11 117.35 130.04 2jkx s TYR 55 Ca -0.11 -1.73 0.02 0.00 0.64 0.00 0.00 57.07 55.89 2jkx s TYR 55 Cb -0.14 -2.04 -0.01 0.00 0.42 0.00 0.00 41.96 40.19 2jkx s TYR 55 CO 0.02 -0.77 -0.16 0.99 0.64 0.00 0.00 175.55 176.27 2jkx s THR 56 N 1.28 2.76 -0.13 4.34 2.01 0.59 -0.51 115.64 125.98 2jkx s THR 56 Ca -0.02 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2jkx s THR 56 Cb -0.18 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 2jkx s THR 56 CO -0.04 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.63 2jkx s ILE 57 N 0.23 2.68 -0.35 1.82 1.01 0.97 -0.34 121.20 127.22 2jkx s ILE 57 Ca -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 2jkx s ILE 57 Cb -0.16 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.22 2jkx s ILE 57 CO 0.06 0.53 0.17 -0.62 0.00 0.00 0.00 174.94 175.08 2jkx s ASP 58 N 0.51 5.60 0.00 3.58 -1.08 0.15 -1.57 116.67 123.86 2jkx s ASP 58 Ca -0.11 -0.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.25 2jkx s ASP 58 Cb -0.16 -1.99 0.75 0.00 -1.46 0.00 0.00 42.92 40.05 2jkx s ASP 58 CO 0.04 -0.31 1.53 0.23 0.52 0.00 0.00 175.17 177.18 2jkx n MET 59 N 4.97 1.55 0.00 4.34 2.81 -0.15 -1.39 117.12 129.25 2jkx n MET 59 Ca -0.13 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 54.94 2jkx n MET 59 Cb 0.47 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 2jkx n MET 59 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jkx n LYS 60 N 0.07 0.00 -4.36 0.03 4.76 -1.26 -4.83 118.16 112.56 2jkx n LYS 60 Ca 0.14 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.40 2jkx n LYS 60 Cb 0.25 -0.20 -0.10 0.00 -1.84 0.00 0.00 35.03 33.14 2jkx n LYS 60 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2jkx s THR 61 N 0.00 1.34 -0.01 -0.18 -4.23 -1.26 -5.09 115.64 106.22 2jkx s THR 61 Ca 0.00 -2.09 -0.30 0.00 -1.18 0.00 0.00 61.69 58.12 2jkx s THR 61 Cb 0.00 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.48 2jkx s THR 61 CO 0.00 -0.39 1.51 -0.89 -0.54 0.00 0.00 174.62 174.31 2jkx s THR 62 N -3.21 3.57 0.15 3.99 2.01 -1.26 -4.37 115.64 116.52 2jkx s THR 62 Ca 0.27 0.90 0.10 0.00 0.31 0.00 0.00 61.69 63.26 2jkx s THR 62 Cb 0.04 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2jkx s THR 62 CO 0.09 -0.03 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.69 2jkx s GLN 63 N 2.92 1.69 -1.27 4.92 -1.52 0.12 -4.88 119.66 121.64 2jkx s GLN 63 Ca 0.68 -1.31 -0.15 0.00 -1.95 0.00 0.00 55.36 52.63 2jkx s GLN 63 Cb -0.33 -2.01 0.13 0.00 -0.22 0.00 0.00 33.01 30.57 2jkx s GLN 63 CO 0.28 0.45 1.65 0.09 -0.25 0.00 0.00 175.29 177.50 2jkx n ASN 64 N 0.56 5.01 -4.71 5.90 3.02 -1.26 -0.36 115.26 123.42 2jkx n ASN 64 Ca -0.15 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.02 2jkx n ASN 64 Cb 0.54 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 2jkx n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jkx s VAL 65 N 2.41 4.41 -0.02 2.41 1.01 -1.01 -0.86 120.40 128.75 2jkx s VAL 65 Ca 0.46 1.76 0.03 0.00 0.00 0.00 0.00 61.98 64.24 2jkx s VAL 65 Cb 0.02 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.33 2jkx s VAL 65 CO 0.02 0.15 0.89 -0.46 0.00 0.00 0.00 175.10 175.71 2jkx n ASN 66 N 3.76 0.62 0.00 3.32 6.94 0.00 -0.80 115.26 129.10 2jkx n ASN 66 Ca 0.07 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 2jkx n ASN 66 Cb 0.48 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2jkx n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jkx n GLY 67 N -0.30 0.88 3.25 4.83 0.00 -1.20 -2.02 105.19 110.63 2jkx n GLY 67 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 2jkx n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jkx s LEU 68 N 0.00 2.46 0.15 0.99 0.05 -0.05 -0.35 118.68 121.93 2jkx s LEU 68 Ca 0.00 -1.05 0.08 0.00 0.05 0.00 0.00 54.13 53.22 2jkx s LEU 68 Cb 0.00 -0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 43.82 2jkx s LEU 68 CO 0.00 -0.39 -0.19 -0.94 -0.55 0.00 0.00 176.35 174.28 2jkx s SER 69 N -3.17 2.65 -0.16 1.48 1.04 -0.28 -1.08 113.70 114.18 2jkx s SER 69 Ca 0.18 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 2jkx s SER 69 Cb 0.04 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.05 2jkx s SER 69 CO 0.01 -0.02 0.03 -0.32 0.98 0.00 0.00 173.24 173.92 2jkx s MET 70 N -2.66 0.57 -0.29 4.02 0.00 0.43 -1.79 119.30 119.57 2jkx s MET 70 Ca 0.14 -0.25 -0.16 0.00 0.00 0.00 0.00 55.69 55.42 2jkx s MET 70 Cb -0.06 -1.80 -0.03 0.00 0.00 0.00 0.00 34.83 32.94 2jkx s MET 70 CO 0.06 -0.56 0.41 -1.17 0.00 0.00 0.00 175.02 173.75 2jkx s LEU 71 N 1.92 4.16 0.90 4.11 2.96 0.37 -0.69 118.68 132.42 2jkx s LEU 71 Ca 0.01 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 2jkx s LEU 71 Cb -0.16 -2.46 0.13 0.00 0.50 0.00 0.00 46.19 44.21 2jkx s LEU 71 CO -0.07 -0.27 1.10 -2.84 -1.32 0.00 0.00 176.35 172.95 2jkx s PRO 72 N 2.13 1.18 0.39 0.98 0.02 -1.26 0.01 135.00 138.45 2jkx s PRO 72 Ca 0.16 1.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.00 2jkx s PRO 72 Cb -0.16 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 2jkx s PRO 72 CO 0.11 -2.36 0.90 2.89 -0.33 0.00 0.00 177.00 178.20 2jkx n ARG 73 N -4.00 1.14 -0.34 5.54 1.85 -1.26 -4.20 116.66 115.39 2jkx n ARG 73 Ca 0.08 0.41 0.09 0.00 -1.00 0.00 0.00 57.85 57.43 2jkx n ARG 73 Cb 0.54 -1.86 0.22 0.00 -1.05 0.00 0.00 32.46 30.31 2jkx n ARG 73 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jkx n GLN 74 N 0.36 2.58 -0.32 2.89 1.13 -1.26 -4.67 117.38 118.10 2jkx n GLN 74 Ca 0.10 -2.70 0.08 0.00 -1.94 0.00 0.00 57.00 52.54 2jkx n GLN 74 Cb 0.37 -1.72 0.25 0.00 0.11 0.00 0.00 30.24 29.26 2jkx n GLN 74 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2jkx n ASP 75 N -0.63 3.09 0.00 1.08 5.75 -1.26 -4.90 116.55 119.67 2jkx n ASP 75 Ca 0.19 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2jkx n ASP 75 Cb 0.79 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2jkx n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkx n GLY 76 N 1.29 0.70 3.59 6.12 0.00 -1.26 -5.03 105.19 110.60 2jkx n GLY 76 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2jkx n GLY 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jkx s ASN 77 N -2.37 5.17 0.02 1.61 3.84 -1.26 -5.01 114.94 116.94 2jkx s ASN 77 Ca 0.00 0.01 0.27 0.00 0.21 0.00 0.00 52.86 53.35 2jkx s ASN 77 Cb 0.00 -1.76 0.84 0.00 -0.55 0.00 0.00 41.25 39.78 2jkx s ASN 77 CO 0.00 0.23 1.66 0.00 -2.79 0.00 0.00 177.10 176.20 2jkx n GLN 78 N 3.17 0.04 -1.64 0.43 10.64 -1.26 -4.85 117.38 123.91 2jkx n GLN 78 Ca -0.17 0.02 -0.42 0.00 -1.83 0.00 0.00 57.00 54.59 2jkx n GLN 78 Cb 0.53 -1.53 -0.03 0.00 -0.86 0.00 0.00 30.24 28.35 2jkx n GLN 78 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2jkx s ASN 79 N -3.17 6.04 0.00 2.61 -0.87 -1.26 -2.43 114.94 115.85 2jkx s ASN 79 Ca 0.12 2.37 0.00 0.00 -1.57 0.00 0.00 52.86 53.78 2jkx s ASN 79 Cb 0.18 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.88 2jkx s ASN 79 CO 0.62 -1.43 0.00 0.61 -2.57 0.00 0.00 177.10 174.33 2jkx n GLY 80 N 5.05 0.70 3.65 0.66 0.00 -1.26 -4.47 105.19 109.52 2jkx n GLY 80 Ca 0.24 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.77 2jkx n GLY 80 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jkx n TRP 81 N -2.01 2.02 -2.85 1.61 8.01 -1.02 -1.63 117.44 121.58 2jkx n TRP 81 Ca 0.00 0.37 -0.41 0.00 -1.31 0.00 0.00 57.50 56.15 2jkx n TRP 81 Cb 0.00 -2.48 -0.04 0.00 -2.01 0.00 0.00 31.31 26.78 2jkx n TRP 81 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2jkx s ILE 82 N 1.34 4.93 0.00 -0.99 1.01 -1.26 -0.21 121.20 126.01 2jkx s ILE 82 Ca 0.84 1.80 0.00 0.00 0.00 0.00 0.00 60.65 63.28 2jkx s ILE 82 Cb -0.80 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 37.47 2jkx s ILE 82 CO 0.44 0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.16 2jkx n GLY 83 N 3.04 0.04 3.77 6.18 0.00 0.34 -4.34 105.19 114.22 2jkx n GLY 83 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2jkx n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkx s ARG 84 N 0.91 4.26 0.18 1.61 0.52 -1.24 -1.69 118.95 123.49 2jkx s ARG 84 Ca 0.00 2.09 -0.23 0.00 -0.52 0.00 0.00 55.73 57.07 2jkx s ARG 84 Cb 0.00 -2.95 0.06 0.00 0.52 0.00 0.00 34.95 32.58 2jkx s ARG 84 CO 0.00 -0.22 0.65 -3.38 0.02 0.00 0.00 175.30 172.37 2jkx s HIS 85 N -1.22 -0.44 0.01 -0.53 -3.43 -0.02 -0.48 115.29 109.17 2jkx s HIS 85 Ca 0.51 0.18 -0.00 0.00 -0.80 0.00 0.00 55.06 54.95 2jkx s HIS 85 Cb -0.37 0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 31.37 2jkx s HIS 85 CO 0.48 -0.92 -0.01 -1.21 -2.00 0.00 0.00 174.74 171.09 2jkx s GLU 86 N -3.74 0.15 -0.14 -0.38 2.02 -0.66 -1.82 118.70 114.13 2jkx s GLU 86 Ca 0.04 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 2jkx s GLU 86 Cb -0.02 0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 2jkx s GLU 86 CO -0.08 -0.02 -0.11 0.08 0.02 0.00 0.00 175.26 175.14 2jkx s VAL 87 N -0.68 3.15 0.11 2.63 1.01 0.43 -1.07 120.40 125.98 2jkx s VAL 87 Ca -0.07 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.38 2jkx s VAL 87 Cb -0.05 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2jkx s VAL 87 CO -0.00 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.07 2jkx s TYR 88 N 0.50 2.41 0.20 5.22 1.51 -0.07 -0.61 117.35 126.52 2jkx s TYR 88 Ca -0.08 -0.33 0.11 0.00 -1.01 0.00 0.00 57.07 55.76 2jkx s TYR 88 Cb -0.15 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2jkx s TYR 88 CO 0.04 0.33 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.07 2jkx s LEU 89 N -1.95 2.49 -0.09 -1.29 1.43 -1.26 -1.09 118.68 116.93 2jkx s LEU 89 Ca 0.15 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 2jkx s LEU 89 Cb -0.10 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 44.97 2jkx s LEU 89 CO 0.07 0.11 0.59 -0.55 0.23 0.00 0.00 176.35 176.80 2jkx s SER 90 N -2.76 -0.56 0.02 2.29 0.15 -0.65 -4.59 113.70 107.60 2jkx s SER 90 Ca 0.22 0.71 0.23 0.00 0.70 0.00 0.00 55.95 57.81 2jkx s SER 90 Cb -0.08 0.67 0.05 0.00 -1.71 0.00 0.00 66.02 64.95 2jkx s SER 90 CO 0.11 -0.48 1.05 -1.54 1.20 0.00 0.00 173.24 173.57 2jkx n SER 91 N 1.43 0.66 0.00 5.45 3.41 -1.26 -1.01 113.62 122.30 2jkx n SER 91 Ca -0.18 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2jkx n SER 91 Cb 0.56 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 2jkx n SER 91 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2jkx n ASP 92 N -1.76 2.20 0.00 4.04 5.68 -1.26 -4.73 116.55 120.71 2jkx n ASP 92 Ca 0.03 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 2jkx n ASP 92 Cb 0.39 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 2jkx n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkx n GLY 93 N 1.39 0.89 0.04 6.12 0.00 -1.26 -4.82 105.19 107.54 2jkx n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jkx n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jkx n THR 94 N -2.04 0.00 -3.30 2.61 -2.24 -1.26 -4.97 114.28 103.08 2jkx n THR 94 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2jkx n THR 94 Cb 0.00 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 2jkx n THR 94 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jkx s ASN 95 N -3.97 6.22 -0.02 3.42 0.01 -1.26 -4.95 114.94 114.39 2jkx s ASN 95 Ca 0.00 -0.52 0.19 0.00 -0.71 0.00 0.00 52.86 51.82 2jkx s ASN 95 Cb 0.00 -2.23 -0.27 0.00 0.41 0.00 0.00 41.25 39.16 2jkx s ASN 95 CO 0.00 -0.56 0.57 0.79 -1.51 0.00 0.00 177.10 176.39 2jkx n TRP 96 N 5.65 0.00 -4.78 2.20 7.02 -1.26 -4.56 117.44 121.71 2jkx n TRP 96 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 2jkx n TRP 96 Cb 0.48 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 2jkx n TRP 96 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jkx n GLY 97 N 1.42 0.71 3.95 6.99 0.00 -1.26 -4.16 105.19 112.83 2jkx n GLY 97 Ca -0.01 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 2jkx n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jkx s SER 98 N -4.00 6.34 0.44 1.61 1.04 -1.26 -5.04 113.70 112.82 2jkx s SER 98 Ca 0.00 0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.33 2jkx s SER 98 Cb 0.00 -1.91 -0.09 0.00 0.10 0.00 0.00 66.02 64.13 2jkx s SER 98 CO 0.00 0.01 1.44 -2.65 0.98 0.00 0.00 173.24 173.02 2jkx n PRO 99 N -0.82 2.33 0.18 4.02 -0.02 -1.26 -4.75 135.00 134.68 2jkx n PRO 99 Ca -0.07 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 2jkx n PRO 99 Cb 0.55 -2.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.50 2jkx n PRO 99 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2jkx h VAL 100 N 2.41 0.07 -2.92 -1.45 -1.51 -1.23 -3.45 116.25 108.16 2jkx h VAL 100 Ca -0.51 -1.10 -0.12 0.00 -1.23 0.00 0.00 66.70 63.74 2jkx h VAL 100 Cb 1.26 1.89 -0.22 0.00 -2.13 0.00 0.00 31.29 32.10 2jkx h VAL 100 CO 0.61 0.04 -0.26 0.00 -1.23 0.00 0.00 177.57 176.73 2jkx s ALA 101 N -3.23 -0.87 0.08 5.19 0.00 -1.23 -0.96 121.76 120.73 2jkx s ALA 101 Ca 0.04 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 2jkx s ALA 101 Cb 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.07 2jkx s ALA 101 CO 0.71 -0.23 0.63 -1.54 0.00 0.00 0.00 175.76 175.33 2jkx s SER 102 N -0.75 -0.60 0.00 0.00 1.04 -0.75 -0.42 113.70 112.21 2jkx s SER 102 Ca -0.08 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2jkx s SER 102 Cb -0.04 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2jkx s SER 102 CO 0.03 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2jkx n GLY 103 N 0.14 0.02 2.98 7.32 0.00 -0.75 -0.20 105.19 114.70 2jkx n GLY 103 Ca -0.18 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2jkx n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jkx s SER 104 N -4.00 0.98 0.03 1.61 0.01 -0.70 -0.84 113.70 110.79 2jkx s SER 104 Ca 0.00 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2jkx s SER 104 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2jkx s SER 104 CO 0.00 0.06 0.21 0.26 0.41 0.00 0.00 173.24 174.18 2jkx s TRP 105 N 0.09 3.53 0.58 2.43 0.51 -0.68 -2.09 118.94 123.31 2jkx s TRP 105 Ca -0.01 0.33 -0.20 0.00 -2.12 0.00 0.00 56.10 54.10 2jkx s TRP 105 Cb -0.06 -1.81 -0.04 0.00 -0.81 0.00 0.00 33.47 30.75 2jkx s TRP 105 CO -0.00 0.61 1.25 0.12 -0.51 0.00 0.00 176.95 178.42 2jkx s PHE 106 N -1.42 2.37 -1.16 -1.98 5.36 -1.26 -4.62 117.98 115.27 2jkx s PHE 106 Ca 0.31 1.48 -0.20 0.00 -0.96 0.00 0.00 56.93 57.57 2jkx s PHE 106 Cb -0.13 -3.57 0.08 0.00 -0.34 0.00 0.00 43.02 39.06 2jkx s PHE 106 CO 0.23 -2.40 1.56 0.00 -1.46 0.00 0.00 175.22 173.15 2jkx s ALA 107 N -1.49 3.16 0.35 11.12 0.00 -1.26 -4.89 121.76 128.74 2jkx s ALA 107 Ca 0.76 -2.70 -0.13 0.00 0.00 0.00 0.00 51.96 49.88 2jkx s ALA 107 Cb -0.33 -4.51 0.05 0.00 0.00 0.00 0.00 23.12 18.33 2jkx s ALA 107 CO 0.37 -3.35 0.71 -0.40 0.00 0.00 0.00 175.76 173.10 2jkx n ASP 108 N 8.19 -2.04 -1.09 0.00 5.68 -1.26 -5.06 116.55 120.96 2jkx n ASP 108 Ca 0.40 -2.40 0.08 0.00 -0.50 0.00 0.00 54.79 52.37 2jkx n ASP 108 Cb 0.48 3.39 0.25 0.00 -1.14 0.00 0.00 41.12 44.10 2jkx n ASP 108 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jkx n SER 109 N -1.47 3.18 -4.82 -1.12 3.41 -1.26 -4.92 113.62 106.62 2jkx n SER 109 Ca -0.08 -2.15 -0.33 0.00 -0.26 0.00 0.00 58.87 56.06 2jkx n SER 109 Cb 0.53 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 2jkx n SER 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jkx s THR 110 N -1.51 4.10 0.19 6.66 -4.23 -1.26 -4.36 115.64 115.22 2jkx s THR 110 Ca 0.36 1.07 -0.33 0.00 -1.18 0.00 0.00 61.69 61.61 2jkx s THR 110 Cb 0.21 -3.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.39 2jkx s THR 110 CO 0.21 -0.52 1.55 0.41 -0.54 0.00 0.00 174.62 175.73 2jkx n THR 111 N -1.61 0.25 -4.09 3.99 -1.04 -1.26 -4.46 114.28 106.05 2jkx n THR 111 Ca 0.08 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.74 2jkx n THR 111 Cb 0.53 -1.56 -0.07 0.00 -1.82 0.00 0.00 70.33 67.41 2jkx n THR 111 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jkx s LYS 112 N 0.58 2.77 0.06 -2.82 -0.14 0.14 -4.84 119.74 115.47 2jkx s LYS 112 Ca 0.76 -0.83 0.04 0.00 -1.36 0.00 0.00 55.97 54.58 2jkx s LYS 112 Cb -0.66 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 2jkx s LYS 112 CO 0.41 0.52 -0.12 0.71 -0.76 0.00 0.00 175.35 176.10 2jkx s TYR 113 N -1.53 1.05 -0.26 3.18 1.51 -1.26 -0.43 117.35 119.62 2jkx s TYR 113 Ca 0.29 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 2jkx s TYR 113 Cb -0.11 -0.60 0.06 0.00 -0.11 0.00 0.00 41.96 41.20 2jkx s TYR 113 CO 0.21 0.02 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.47 2jkx s SER 114 N -1.58 4.24 -0.16 2.29 0.01 -0.24 -4.97 113.70 113.29 2jkx s SER 114 Ca -0.04 -1.37 -0.05 0.00 1.31 0.00 0.00 55.95 55.80 2jkx s SER 114 Cb -0.10 -1.41 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 2jkx s SER 114 CO 0.02 -0.22 0.02 0.20 0.41 0.00 0.00 173.24 173.67 2jkx s ASN 115 N 1.21 5.34 0.17 2.44 0.01 -1.26 -0.87 114.94 121.97 2jkx s ASN 115 Ca -0.06 0.04 -0.17 0.00 -0.71 0.00 0.00 52.86 51.95 2jkx s ASN 115 Cb -0.19 -1.84 0.03 0.00 0.41 0.00 0.00 41.25 39.66 2jkx s ASN 115 CO -0.06 0.21 0.49 0.72 -1.51 0.00 0.00 177.10 176.95 2jkx s PHE 116 N 0.13 -0.15 0.37 2.20 -0.12 -0.85 -4.76 117.98 114.79 2jkx s PHE 116 Ca 0.03 -0.18 -0.28 0.00 -0.05 0.00 0.00 56.93 56.45 2jkx s PHE 116 Cb -0.13 0.35 -0.11 0.00 -0.63 0.00 0.00 43.02 42.50 2jkx s PHE 116 CO 0.01 -0.85 1.45 0.39 -0.05 0.00 0.00 175.22 176.17 2jkx n GLU 117 N -0.31 2.55 -1.65 1.99 -0.58 -1.26 -4.45 120.64 116.93 2jkx n GLU 117 Ca -0.12 0.89 -0.47 0.00 -0.42 0.00 0.00 57.16 57.05 2jkx n GLU 117 Cb 0.63 -2.59 -0.04 0.00 -0.57 0.00 0.00 31.44 28.87 2jkx n GLU 117 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jkx n THR 118 N 0.47 0.45 -3.68 2.62 -1.04 -1.26 -4.71 114.28 107.13 2jkx n THR 118 Ca 0.02 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 2jkx n THR 118 Cb 0.38 -1.33 -0.14 0.00 -1.82 0.00 0.00 70.33 67.43 2jkx n THR 118 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2jkx s ARG 119 N 0.22 0.13 0.19 -2.82 3.52 0.02 -4.94 118.95 115.26 2jkx s ARG 119 Ca 0.75 0.67 -0.33 0.00 -0.13 0.00 0.00 55.73 56.69 2jkx s ARG 119 Cb -0.73 -0.10 -0.13 0.00 -1.56 0.00 0.00 34.95 32.43 2jkx s ARG 119 CO 0.45 -0.27 1.65 -2.30 -0.81 0.00 0.00 175.30 174.02 2jkx n PRO 120 N 5.15 2.46 -3.59 5.12 -0.02 -1.25 -2.40 135.00 140.48 2jkx n PRO 120 Ca -0.09 0.89 -0.16 0.00 -2.02 0.00 0.00 63.50 62.12 2jkx n PRO 120 Cb 0.50 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 2jkx n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jkx s ALA 121 N 1.02 -1.46 -0.19 3.55 0.00 0.51 -4.83 121.76 120.36 2jkx s ALA 121 Ca 0.77 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.83 2jkx s ALA 121 Cb -0.59 0.08 -0.21 0.00 0.00 0.00 0.00 23.12 22.40 2jkx s ALA 121 CO 0.35 -0.37 0.02 -2.13 0.00 0.00 0.00 175.76 173.63 2jkx n ARG 122 N 0.92 0.95 -4.47 0.00 0.63 -0.79 0.12 116.66 114.02 2jkx n ARG 122 Ca -0.20 0.02 -0.31 0.00 -0.92 0.00 0.00 57.85 56.44 2jkx n ARG 122 Cb 0.57 -1.47 -0.11 0.00 0.45 0.00 0.00 32.46 31.91 2jkx n ARG 122 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2jkx s TYR 123 N -2.45 2.74 -0.03 -0.14 1.51 -0.18 -0.97 117.35 117.84 2jkx s TYR 123 Ca -0.13 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2jkx s TYR 123 Cb 0.06 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 2jkx s TYR 123 CO 0.71 0.35 -0.04 0.08 -1.11 0.00 0.00 175.55 175.53 2jkx s VAL 124 N -1.03 0.46 -0.07 0.71 1.01 -0.61 -1.64 120.40 119.23 2jkx s VAL 124 Ca 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2jkx s VAL 124 Cb -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2jkx s VAL 124 CO 0.08 0.18 -0.13 -0.60 0.00 0.00 0.00 175.10 174.64 2jkx s ARG 125 N 0.55 1.77 -0.29 2.72 3.52 -0.25 -0.02 118.95 126.96 2jkx s ARG 125 Ca -0.07 -0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 2jkx s ARG 125 Cb -0.10 -1.48 -0.00 0.00 -1.56 0.00 0.00 34.95 31.81 2jkx s ARG 125 CO -0.00 0.01 0.08 -1.17 -0.81 0.00 0.00 175.30 173.42 2jkx s LEU 126 N 0.72 3.77 -0.29 -0.88 2.96 0.33 -0.89 118.68 124.40 2jkx s LEU 126 Ca -0.13 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.11 2jkx s LEU 126 Cb -0.16 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2jkx s LEU 126 CO 0.03 -0.15 0.17 -0.69 -1.32 0.00 0.00 176.35 174.39 2jkx s VAL 127 N 1.54 4.93 -0.60 1.68 1.01 -0.23 -0.66 120.40 128.07 2jkx s VAL 127 Ca 0.04 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2jkx s VAL 127 Cb -0.17 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 32.86 2jkx s VAL 127 CO 0.03 0.16 0.84 0.00 0.00 0.00 0.00 175.10 176.13 2jkx s ALA 128 N 1.69 3.24 0.05 5.51 0.00 0.23 -1.66 121.76 130.81 2jkx s ALA 128 Ca 0.06 -1.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.03 2jkx s ALA 128 Cb -0.16 -3.67 -0.22 0.00 0.00 0.00 0.00 23.12 19.07 2jkx s ALA 128 CO 0.08 -2.48 1.18 0.82 0.00 0.00 0.00 175.76 175.36 2jkx h ILE 129 N 5.95 1.35 -3.82 0.00 2.04 -1.04 0.43 117.51 122.41 2jkx h ILE 129 Ca -0.28 -2.08 -0.22 0.00 1.00 0.00 0.00 64.86 63.27 2jkx h ILE 129 Cb 1.08 2.38 -0.15 0.00 -0.74 0.00 0.00 36.82 39.39 2jkx h ILE 129 CO 1.11 0.63 -0.70 0.42 0.00 0.00 0.00 178.15 179.61 2jkx s THR 130 N -3.39 0.69 0.11 -0.27 -4.23 -0.97 -3.78 115.64 103.79 2jkx s THR 130 Ca -0.12 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.27 2jkx s THR 130 Cb 0.06 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.14 2jkx s THR 130 CO 0.87 -0.87 0.60 -0.70 -0.54 0.00 0.00 174.62 173.98 2jkx s GLU 131 N -3.84 4.21 0.57 3.99 -6.30 -1.26 -0.50 118.70 115.57 2jkx s GLU 131 Ca 0.12 0.76 0.27 0.00 -2.50 0.00 0.00 54.97 53.61 2jkx s GLU 131 Cb 0.05 -3.15 1.59 0.00 0.00 0.00 0.00 34.13 32.62 2jkx s GLU 131 CO -0.05 0.58 2.11 0.00 0.02 0.00 0.00 175.26 177.92 2jkx h ALA 132 N 4.24 1.89 -0.21 6.30 0.00 -0.83 -0.31 119.26 130.34 2jkx h ALA 132 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jkx h ALA 132 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jkx h ALA 132 CO 0.64 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.71 2jkx n ASN 133 N -3.97 3.56 -0.11 0.00 4.13 -1.26 -4.91 115.26 112.70 2jkx n ASN 133 Ca 0.02 -3.02 -0.01 0.00 1.68 0.00 0.00 54.58 53.24 2jkx n ASN 133 Cb 0.31 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.02 2jkx n ASN 133 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jkx n GLY 134 N -0.69 0.50 3.92 7.41 0.00 -0.13 -5.02 105.19 111.19 2jkx n GLY 134 Ca 0.20 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2jkx n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkx s GLN 135 N -1.07 2.18 0.48 1.61 1.11 -1.26 -4.93 119.66 117.78 2jkx s GLN 135 Ca 0.00 -0.16 0.29 0.00 0.01 0.00 0.00 55.36 55.50 2jkx s GLN 135 Cb 0.00 -2.12 0.95 0.00 -1.01 0.00 0.00 33.01 30.83 2jkx s GLN 135 CO 0.00 -1.30 1.83 -1.35 0.01 0.00 0.00 175.29 174.48 2jkx h PRO 136 N -0.69 0.00 -6.38 2.91 0.11 -1.90 -3.38 132.00 122.67 2jkx h PRO 136 Ca -0.45 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 2jkx h PRO 136 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2jkx h PRO 136 CO 0.62 0.00 -0.26 -1.58 -0.21 0.00 0.00 178.00 176.57 2jkx s TRP 137 N -3.46 3.49 -0.05 0.65 0.51 -1.26 -3.14 118.94 115.67 2jkx s TRP 137 Ca 0.04 0.34 0.06 0.00 -2.12 0.00 0.00 56.10 54.42 2jkx s TRP 137 Cb 0.08 -1.87 -0.01 0.00 -0.81 0.00 0.00 33.47 30.86 2jkx s TRP 137 CO 0.58 0.25 -0.22 0.99 -0.51 0.00 0.00 176.95 178.04 2jkx s THR 138 N -2.11 1.80 0.04 2.01 2.01 -1.26 -4.01 115.64 114.11 2jkx s THR 138 Ca 0.39 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.48 2jkx s THR 138 Cb -0.10 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2jkx s THR 138 CO 0.32 0.51 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.74 2jkx s SER 139 N -0.16 0.84 -0.11 3.53 1.04 -0.64 -1.60 113.70 116.60 2jkx s SER 139 Ca -0.01 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 2jkx s SER 139 Cb -0.12 0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.07 2jkx s SER 139 CO 0.02 -0.16 0.22 -0.63 0.98 0.00 0.00 173.24 173.67 2jkx s ILE 140 N -1.20 -0.32 -0.05 -1.02 1.01 -0.65 -4.61 121.20 114.36 2jkx s ILE 140 Ca -0.08 0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.61 2jkx s ILE 140 Cb -0.09 -0.37 -0.22 0.00 0.01 0.00 0.00 42.46 41.79 2jkx s ILE 140 CO 0.00 0.13 1.11 0.00 0.00 0.00 0.00 174.94 176.18 2jkx h ALA 141 N 8.23 0.02 -3.41 9.38 0.00 -0.59 -0.65 119.26 132.23 2jkx h ALA 141 Ca -0.16 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 2jkx h ALA 141 Cb 1.12 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 2jkx h ALA 141 CO 0.16 -0.12 -0.64 -1.21 0.00 0.00 0.00 179.25 177.43 2jkx s GLU 142 N -3.58 0.06 -0.10 0.00 0.41 -1.03 -4.21 118.70 110.25 2jkx s GLU 142 Ca -0.17 0.24 0.02 0.00 -0.41 0.00 0.00 54.97 54.66 2jkx s GLU 142 Cb 0.01 -0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.22 2jkx s GLU 142 CO 0.69 -0.12 -0.17 -1.50 -0.49 0.00 0.00 175.26 173.67 2jkx s ILE 143 N 0.80 2.69 0.13 -1.63 2.07 0.48 -0.47 121.20 125.26 2jkx s ILE 143 Ca -0.06 -0.81 0.07 0.00 -1.41 0.00 0.00 60.65 58.43 2jkx s ILE 143 Cb -0.08 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.39 2jkx s ILE 143 CO -0.03 0.55 -0.16 0.20 -1.91 0.00 0.00 174.94 173.59 2jkx s ASN 144 N 0.10 2.16 -0.02 4.50 0.01 -0.74 -4.73 114.94 116.22 2jkx s ASN 144 Ca -0.08 -0.80 0.05 0.00 -0.71 0.00 0.00 52.86 51.32 2jkx s ASN 144 Cb -0.15 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 2jkx s ASN 144 CO 0.05 -0.10 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.68 2jkx s VAL 145 N -1.97 1.38 0.11 1.60 1.01 -1.26 -1.13 120.40 120.15 2jkx s VAL 145 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2jkx s VAL 145 Cb -0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2jkx s VAL 145 CO 0.04 0.39 -0.16 -0.36 0.00 0.00 0.00 175.10 175.01 2jkx s PHE 146 N -0.28 2.59 0.07 5.22 0.40 0.52 -0.38 117.98 126.12 2jkx s PHE 146 Ca 0.04 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.21 2jkx s PHE 146 Cb -0.08 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 2jkx s PHE 146 CO 0.00 0.39 -0.21 1.14 0.70 0.00 0.00 175.22 177.25 2jkx s GLN 147 N -2.14 1.26 0.65 0.44 -2.07 -0.06 -0.82 119.66 116.92 2jkx s GLN 147 Ca 0.19 -1.05 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 2jkx s GLN 147 Cb -0.11 -1.46 -0.02 0.00 -1.09 0.00 0.00 33.01 30.34 2jkx s GLN 147 CO 0.11 0.36 1.05 0.00 -1.32 0.00 0.00 175.29 175.49 2jkx s ALA 148 N -0.98 3.02 -0.80 2.60 0.00 -0.04 -1.21 121.76 124.36 2jkx s ALA 148 Ca 0.07 -0.18 0.25 0.00 0.00 0.00 0.00 51.96 52.10 2jkx s ALA 148 Cb -0.09 -3.06 0.94 0.00 0.00 0.00 0.00 23.12 20.90 2jkx s ALA 148 CO 0.03 -0.85 1.76 -1.13 0.00 0.00 0.00 175.76 175.57 2jkx n SER 149 N -2.84 0.43 -3.67 0.00 3.41 -1.26 -4.75 113.62 104.93 2jkx n SER 149 Ca 0.06 0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 59.14 2jkx n SER 149 Cb 0.55 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 2jkx n SER 149 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jkx s SER 150 N -3.80 -0.39 -0.03 4.04 1.04 -1.26 -5.14 113.70 108.17 2jkx s SER 150 Ca 0.10 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.22 2jkx s SER 150 Cb 0.13 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.91 2jkx s SER 150 CO 0.48 -1.17 -0.14 -0.47 0.98 0.00 0.00 173.24 172.93 2jkx s TYR 151 N -3.82 1.33 -0.06 5.02 5.04 -1.26 -5.02 117.35 118.58 2jkx s TYR 151 Ca 0.07 -0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 2jkx s TYR 151 Cb -0.04 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.39 2jkx s TYR 151 CO -0.02 -0.09 -0.11 0.99 -1.34 0.00 0.00 175.55 174.98 2jkx s THR 152 N -0.05 1.04 0.46 4.34 2.01 -1.26 -5.13 115.64 117.04 2jkx s THR 152 Ca -0.00 -0.42 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 2jkx s THR 152 Cb -0.09 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 2jkx s THR 152 CO 0.01 0.33 1.28 0.00 -0.69 0.00 0.00 174.62 175.55 2jkx n ALA 153 N 3.89 1.32 -1.76 7.40 0.00 -1.26 -4.93 120.51 125.18 2jkx n ALA 153 Ca -0.23 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 2jkx n ALA 153 Cb 0.51 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.71 2jkx n ALA 153 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jkx s PRO 154 N -2.37 3.31 0.15 0.00 0.02 -1.26 -4.93 135.00 129.92 2jkx s PRO 154 Ca 0.64 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.49 2jkx s PRO 154 Cb -0.48 -2.31 -0.08 0.00 0.02 0.00 0.00 34.50 31.64 2jkx s PRO 154 CO 0.56 -1.03 1.37 -0.65 -0.33 0.00 0.00 177.00 176.93 2jkx s GLN 155 N -2.83 4.33 0.31 5.54 -0.21 -1.26 -4.97 119.66 120.57 2jkx s GLN 155 Ca 0.69 2.09 -0.29 0.00 0.02 0.00 0.00 55.36 57.87 2jkx s GLN 155 Cb -0.38 -3.22 -0.13 0.00 1.00 0.00 0.00 33.01 30.28 2jkx s GLN 155 CO 0.45 -0.39 1.30 -2.30 -2.12 0.00 0.00 175.29 172.24 2jkx n PRO 156 N 3.45 2.04 -0.42 2.91 -0.02 -1.26 -2.86 135.00 138.83 2jkx n PRO 156 Ca 0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2jkx n PRO 156 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2jkx n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkx n GLY 157 N 1.21 0.98 0.65 -1.23 0.00 -1.26 -4.92 105.19 100.62 2jkx n GLY 157 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2jkx n GLY 157 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jkx n LEU 158 N 0.00 3.19 0.00 0.99 4.77 -1.14 -4.74 117.00 120.07 2jkx n LEU 158 Ca 0.00 -3.48 0.01 0.00 -0.03 0.00 0.00 56.01 52.50 2jkx n LEU 158 Cb 0.00 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2jkx n LEU 158 CO 0.00 1.04 -0.01 0.61 -1.33 0.00 0.00 177.39 177.70 2jkx n GLY 159 N -1.10 -2.23 3.19 -0.72 0.00 -1.26 -1.15 105.19 101.91 2jkx n GLY 159 Ca 0.22 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 2jkx n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkx s ARG 160 N -0.96 0.35 -0.08 1.61 1.81 -0.46 -4.65 118.95 116.57 2jkx s ARG 160 Ca 0.00 0.50 -0.12 0.00 -1.72 0.00 0.00 55.73 54.38 2jkx s ARG 160 Cb 0.00 0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.56 2jkx s ARG 160 CO 0.00 -0.08 0.30 -1.58 -0.68 0.00 0.00 175.30 173.27 2jkx s TRP 161 N 0.49 3.61 0.00 -0.53 0.52 -1.26 -0.71 118.94 121.06 2jkx s TRP 161 Ca -0.03 0.75 0.00 0.00 0.02 0.00 0.00 56.10 56.85 2jkx s TRP 161 Cb -0.04 -2.22 0.00 0.00 -1.15 0.00 0.00 33.47 30.06 2jkx s TRP 161 CO -0.03 0.55 0.00 0.41 0.02 0.00 0.00 176.95 177.90 2jkx n GLY 162 N 2.34 3.87 3.07 0.98 0.00 0.10 -4.89 105.19 110.66 2jkx n GLY 162 Ca -0.15 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 2jkx n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jkx n PRO 163 N -1.44 -0.83 -3.36 1.61 -0.04 -1.26 -4.47 135.00 125.21 2jkx n PRO 163 Ca 0.00 -1.74 -0.38 0.00 -0.04 0.00 0.00 63.50 61.34 2jkx n PRO 163 Cb 0.00 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 2jkx n PRO 163 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jkx s THR 164 N -3.14 4.87 -0.34 0.52 2.01 -0.13 -1.98 115.64 117.44 2jkx s THR 164 Ca 0.59 1.07 -0.10 0.00 0.31 0.00 0.00 61.69 63.55 2jkx s THR 164 Cb -0.02 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2jkx s THR 164 CO 0.41 0.55 0.17 -0.63 -0.69 0.00 0.00 174.62 174.43 2jkx s ILE 165 N -1.01 4.52 0.23 1.82 -1.09 0.12 -1.81 121.20 123.98 2jkx s ILE 165 Ca 0.27 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.74 2jkx s ILE 165 Cb -0.18 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 2jkx s ILE 165 CO 0.17 -0.09 0.88 -1.81 -1.23 0.00 0.00 174.94 172.86 2jkx s ASP 166 N 1.57 7.52 0.11 3.58 1.01 0.72 -1.46 116.67 129.72 2jkx s ASP 166 Ca 0.03 1.83 0.05 0.00 0.71 0.00 0.00 52.55 55.17 2jkx s ASP 166 Cb -0.18 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 2jkx s ASP 166 CO 0.06 0.15 -0.13 -0.76 0.21 0.00 0.00 175.17 174.70 2jkx s LEU 167 N -1.29 2.40 0.30 1.23 1.43 0.18 -1.72 118.68 121.21 2jkx s LEU 167 Ca 0.40 -0.81 0.25 0.00 -1.03 0.00 0.00 54.13 52.95 2jkx s LEU 167 Cb -0.24 -0.47 0.66 0.00 0.03 0.00 0.00 46.19 46.17 2jkx s LEU 167 CO 0.29 -0.18 1.72 1.55 0.23 0.00 0.00 176.35 179.96 2jkx h PRO 168 N 3.54 0.00 -5.45 1.29 0.13 -1.69 -3.41 132.00 126.41 2jkx h PRO 168 Ca -0.39 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.24 2jkx h PRO 168 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2jkx h PRO 168 CO 0.51 0.00 -0.65 0.96 -0.23 0.00 0.00 178.00 178.59 2jkx s ILE 169 N -3.15 1.57 -0.42 -3.56 -4.36 -1.26 -4.53 121.20 105.48 2jkx s ILE 169 Ca 0.09 -2.08 -0.25 0.00 -0.26 0.00 0.00 60.65 58.15 2jkx s ILE 169 Cb 0.10 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 41.24 2jkx s ILE 169 CO 0.62 -0.20 0.90 -0.69 0.24 0.00 0.00 174.94 175.81 2jkx s VAL 170 N -3.05 4.54 -1.21 8.37 1.01 -0.73 -4.35 120.40 124.98 2jkx s VAL 170 Ca 0.32 0.87 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 2jkx s VAL 170 Cb 0.06 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2jkx s VAL 170 CO 0.13 -0.70 1.95 -0.81 0.00 0.00 0.00 175.10 175.68 2jkx n PRO 171 N 6.95 2.42 0.12 2.72 -0.04 -1.26 -4.19 135.00 141.72 2jkx n PRO 171 Ca 0.06 -2.62 0.12 0.00 -0.04 0.00 0.00 63.50 61.02 2jkx n PRO 171 Cb 0.48 -3.37 0.46 0.00 -0.04 0.00 0.00 33.50 31.04 2jkx n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkx n ALA 172 N 8.80 1.89 -3.02 0.55 0.00 -1.14 -4.26 120.51 123.33 2jkx n ALA 172 Ca 0.49 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 2jkx n ALA 172 Cb 0.43 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 2jkx n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkx s ALA 173 N -3.24 -0.04 0.12 0.00 0.00 -0.96 -4.16 121.76 113.49 2jkx s ALA 173 Ca 0.07 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2jkx s ALA 173 Cb 0.10 0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.41 2jkx s ALA 173 CO 0.47 -0.17 0.51 0.00 0.00 0.00 0.00 175.76 176.57 2jkx s ALA 174 N -1.39 -1.31 -0.01 0.00 0.00 -0.04 -0.84 121.76 118.18 2jkx s ALA 174 Ca -0.15 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 2jkx s ALA 174 Cb -0.09 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.78 2jkx s ALA 174 CO -0.00 -0.67 0.45 0.00 0.00 0.00 0.00 175.76 175.54 2jkx s ALA 175 N -3.49 -1.14 0.07 0.00 0.00 0.96 -0.34 121.76 117.82 2jkx s ALA 175 Ca 0.00 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 2jkx s ALA 175 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2jkx s ALA 175 CO -0.10 -0.35 0.89 0.42 0.00 0.00 0.00 175.76 176.62 2jkx s ILE 176 N -1.60 4.65 -0.58 0.00 -1.09 -1.08 -0.10 121.20 121.41 2jkx s ILE 176 Ca -0.11 1.90 -0.23 0.00 -2.23 0.00 0.00 60.65 59.98 2jkx s ILE 176 Cb -0.03 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.66 2jkx s ILE 176 CO 0.04 0.31 0.93 -1.61 -1.23 0.00 0.00 174.94 173.38 2jkx s GLU 177 N 0.14 3.26 0.39 2.79 2.02 0.30 -4.87 118.70 122.73 2jkx s GLU 177 Ca 0.44 -0.44 0.16 0.00 0.02 0.00 0.00 54.97 55.16 2jkx s GLU 177 Cb -0.22 -4.10 0.81 0.00 0.10 0.00 0.00 34.13 30.72 2jkx s GLU 177 CO 0.27 -1.55 1.84 -1.35 0.02 0.00 0.00 175.26 174.48 2jkx h PRO 178 N 9.36 0.00 0.00 0.39 0.11 -1.94 0.26 132.00 140.18 2jkx h PRO 178 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2jkx h PRO 178 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jkx h PRO 178 CO 1.10 0.35 -0.25 1.79 -0.21 0.00 0.00 178.00 180.78 2jkx h THR 179 N 0.00 0.48 0.00 -1.15 1.35 -1.92 -3.32 112.91 108.35 2jkx h THR 179 Ca -0.00 -1.41 -0.02 0.00 -0.55 0.00 0.00 66.41 64.43 2jkx h THR 179 Cb 0.67 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2jkx h THR 179 CO 0.04 0.24 -1.50 -1.54 -0.25 0.00 0.00 175.52 172.52 2jkx n SER 180 N -3.24 2.60 0.00 5.36 3.41 -1.08 -5.01 113.62 115.66 2jkx n SER 180 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2jkx n SER 180 Cb 0.55 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 2jkx n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jkx n GLY 181 N 1.95 0.71 3.87 5.00 0.00 0.91 -5.00 105.19 112.63 2jkx n GLY 181 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2jkx n GLY 181 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkx s ARG 182 N -0.02 3.73 -0.31 1.61 0.52 -1.21 -4.52 118.95 118.75 2jkx s ARG 182 Ca 0.00 0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 55.71 2jkx s ARG 182 Cb 0.00 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 2jkx s ARG 182 CO 0.00 -0.31 0.41 0.08 0.02 0.00 0.00 175.30 175.51 2jkx s VAL 183 N -2.77 5.13 -0.09 3.52 1.01 0.02 -0.54 120.40 126.68 2jkx s VAL 183 Ca 0.54 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 2jkx s VAL 183 Cb -0.10 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2jkx s VAL 183 CO 0.41 -0.02 0.44 -0.22 0.00 0.00 0.00 175.10 175.71 2jkx s LEU 184 N 2.15 4.32 0.07 3.92 2.96 0.86 -1.10 118.68 131.86 2jkx s LEU 184 Ca 0.15 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 2jkx s LEU 184 Cb -0.16 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2jkx s LEU 184 CO 0.11 0.09 -0.10 -0.04 -1.32 0.00 0.00 176.35 175.09 2jkx s MET 185 N 0.17 0.70 0.06 1.98 -1.94 0.74 -0.03 119.30 120.99 2jkx s MET 185 Ca 0.24 -0.92 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 2jkx s MET 185 Cb -0.15 -0.52 0.01 0.00 2.01 0.00 0.00 34.83 36.17 2jkx s MET 185 CO 0.10 0.10 0.24 1.67 -0.01 0.00 0.00 175.02 177.13 2jkx s TRP 186 N -1.62 0.01 0.00 -0.03 -2.14 -0.02 -0.83 118.94 114.31 2jkx s TRP 186 Ca -0.03 -0.26 0.00 0.00 2.66 0.00 0.00 56.10 58.46 2jkx s TRP 186 Cb -0.08 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 2jkx s TRP 186 CO 0.01 -0.50 0.00 -1.13 -2.66 0.00 0.00 176.95 172.67 2jkx n SER 187 N 0.39 0.00 0.00 -2.66 3.41 -0.73 -2.26 113.62 111.77 2jkx n SER 187 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2jkx n SER 187 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2jkx n SER 187 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jkx n SER 188 N -0.13 0.00 0.30 4.04 2.88 -1.26 -3.89 113.62 115.56 2jkx n SER 188 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 2jkx n SER 188 Cb 0.00 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.34 2jkx n SER 188 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 2jkx h TYR 189 N 0.00 0.00 -2.57 0.66 -0.00 -1.73 0.74 116.97 114.08 2jkx h TYR 189 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.73 58.22 2jkx h TYR 189 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 36.73 36.59 2jkx h TYR 189 CO 0.00 0.00 -0.69 1.03 -0.00 0.00 0.00 178.16 178.50 2jkx s ARG 190 N -3.85 1.56 0.53 0.10 0.52 -1.21 -4.71 118.95 111.90 2jkx s ARG 190 Ca -0.01 -1.77 0.31 0.00 -0.52 0.00 0.00 55.73 53.74 2jkx s ARG 190 Cb 0.10 -1.26 1.36 0.00 0.52 0.00 0.00 34.95 35.68 2jkx s ARG 190 CO 0.50 0.09 1.99 -2.95 0.02 0.00 0.00 175.30 174.96 2jkx h ASN 191 N 2.29 0.00 0.00 0.23 -1.07 -1.88 -3.33 115.58 111.82 2jkx h ASN 191 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.97 2jkx h ASN 191 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 2jkx h ASN 191 CO 0.66 0.08 0.00 -0.90 0.07 0.00 0.00 177.43 177.34 2jkx n ASP 192 N -3.25 0.43 -3.66 6.14 5.75 -1.26 -1.77 116.55 118.92 2jkx n ASP 192 Ca -0.00 -1.08 -0.12 0.00 -0.01 0.00 0.00 54.79 53.57 2jkx n ASP 192 Cb 0.31 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.34 2jkx n ASP 192 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jkx s ALA 193 N -0.08 -1.00 0.00 2.12 0.00 -1.25 -0.48 121.76 121.07 2jkx s ALA 193 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2jkx s ALA 193 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2jkx s ALA 193 CO 0.00 -0.48 0.00 1.97 0.00 0.00 0.00 175.76 177.25 2jkx n PHE 194 N 0.41 0.00 -2.15 0.00 1.16 -1.26 -3.29 117.46 112.33 2jkx n PHE 194 Ca -0.18 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 54.99 2jkx n PHE 194 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.45 2jkx n PHE 194 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2jkx s GLY 195 N -2.02 2.48 0.00 4.97 0.00 -1.26 -2.76 107.32 108.73 2jkx s GLY 195 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 2jkx s GLY 195 CO 0.00 2.10 0.00 0.61 0.00 0.00 0.00 173.10 175.81 2jkx n GLY 196 N 2.14 0.72 3.77 0.20 0.00 -1.26 -5.03 105.19 105.73 2jkx n GLY 196 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2jkx n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jkx s SER 197 N -2.07 6.53 0.00 1.61 0.15 -1.11 -4.89 113.70 113.92 2jkx s SER 197 Ca 0.00 2.87 0.22 0.00 0.70 0.00 0.00 55.95 59.73 2jkx s SER 197 Cb 0.00 -2.65 0.84 0.00 -1.71 0.00 0.00 66.02 62.50 2jkx s SER 197 CO 0.00 -0.74 1.60 -0.81 1.20 0.00 0.00 173.24 174.48 2jkx n PRO 198 N 1.01 1.63 -0.58 5.44 -0.04 -1.26 -5.07 135.00 136.13 2jkx n PRO 198 Ca 0.02 -0.95 0.08 0.00 -0.04 0.00 0.00 63.50 62.61 2jkx n PRO 198 Cb 0.40 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2jkx n PRO 198 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jkx n GLY 199 N 1.10 -1.97 2.15 0.55 0.00 -1.26 -4.98 105.19 100.78 2jkx n GLY 199 Ca 0.16 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2jkx n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 200 N -2.89 0.96 3.08 -0.02 0.00 -1.26 -4.83 105.19 100.23 2jkx n GLY 200 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jkx n GLY 200 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jkx s ILE 201 N -3.38 -0.01 -0.09 -0.61 2.07 -1.23 -3.32 121.20 114.64 2jkx s ILE 201 Ca 0.00 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2jkx s ILE 201 Cb 0.00 -0.32 0.02 0.00 0.13 0.00 0.00 42.46 42.29 2jkx s ILE 201 CO 0.00 0.02 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.06 2jkx s THR 202 N 0.43 1.09 -0.08 4.00 2.01 -0.63 -3.37 115.64 119.09 2jkx s THR 202 Ca -0.03 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2jkx s THR 202 Cb -0.04 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 2jkx s THR 202 CO -0.02 0.36 1.03 -0.76 -0.69 0.00 0.00 174.62 174.54 2jkx s LEU 203 N 1.13 4.27 0.32 4.42 1.02 0.25 -0.94 118.68 129.16 2jkx s LEU 203 Ca -0.06 1.60 0.09 0.00 0.02 0.00 0.00 54.13 55.79 2jkx s LEU 203 Cb -0.14 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 2jkx s LEU 203 CO -0.02 -0.44 -0.11 0.42 0.02 0.00 0.00 176.35 176.23 2jkx s THR 204 N 1.86 2.16 -0.04 5.49 -4.23 0.01 -1.77 115.64 119.11 2jkx s THR 204 Ca 0.50 -2.22 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2jkx s THR 204 Cb -0.20 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.12 2jkx s THR 204 CO 0.20 -0.26 0.36 -0.55 -0.54 0.00 0.00 174.62 173.83 2jkx s SER 205 N -3.56 -0.28 0.08 3.99 0.15 -0.01 -1.60 113.70 112.49 2jkx s SER 205 Ca 0.31 0.28 0.06 0.00 0.70 0.00 0.00 55.95 57.31 2jkx s SER 205 Cb 0.02 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 2jkx s SER 205 CO 0.15 -0.40 -0.16 -0.94 1.20 0.00 0.00 173.24 173.09 2jkx s SER 206 N -1.00 1.97 -0.09 5.45 1.04 -0.25 -0.18 113.70 120.64 2jkx s SER 206 Ca -0.11 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.72 2jkx s SER 206 Cb -0.04 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 2jkx s SER 206 CO 0.04 -0.04 -0.24 0.86 0.98 0.00 0.00 173.24 174.84 2jkx s TRP 207 N -1.29 2.53 -0.40 5.02 -0.00 -0.25 -1.00 118.94 123.54 2jkx s TRP 207 Ca 0.01 -0.97 -0.13 0.00 -0.00 0.00 0.00 56.10 55.01 2jkx s TRP 207 Cb -0.10 -1.68 0.03 0.00 -0.00 0.00 0.00 33.47 31.72 2jkx s TRP 207 CO 0.03 -0.37 0.27 0.34 -0.00 0.00 0.00 176.95 177.22 2jkx s ASP 208 N 0.22 5.95 0.49 5.86 -1.08 -0.83 -0.80 116.67 126.48 2jkx s ASP 208 Ca -0.15 -1.02 0.20 0.00 -0.52 0.00 0.00 52.55 51.06 2jkx s ASP 208 Cb -0.17 -2.10 1.25 0.00 -1.46 0.00 0.00 42.92 40.44 2jkx s ASP 208 CO 0.08 -0.45 2.00 -0.65 0.52 0.00 0.00 175.17 176.66 2jkx h PRO 209 N 8.56 0.14 -0.05 4.34 0.11 -1.91 0.57 132.00 143.76 2jkx h PRO 209 Ca -0.26 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.69 2jkx h PRO 209 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jkx h PRO 209 CO 0.72 0.10 -0.65 0.66 -0.21 0.00 0.00 178.00 178.62 2jkx h SER 210 N 0.15 0.24 0.00 -2.05 4.64 -1.93 -3.36 113.55 111.24 2jkx h SER 210 Ca 0.24 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2jkx h SER 210 Cb 0.77 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2jkx h SER 210 CO -0.03 0.82 -1.47 0.35 -0.87 0.00 0.00 176.83 175.63 2jkx n THR 211 N -3.83 0.29 -0.97 2.95 -2.24 -0.80 -5.01 114.28 104.67 2jkx n THR 211 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2jkx n THR 211 Cb 0.65 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2jkx n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jkx n GLY 212 N 2.28 0.79 3.70 3.38 0.00 0.19 -5.02 105.19 110.51 2jkx n GLY 212 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2jkx n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkx s ILE 213 N -3.14 4.81 -0.25 -0.61 1.01 -1.25 -4.63 121.20 117.14 2jkx s ILE 213 Ca 0.00 2.04 -0.10 0.00 0.00 0.00 0.00 60.65 62.59 2jkx s ILE 213 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2jkx s ILE 213 CO 0.00 0.10 0.15 -0.69 0.00 0.00 0.00 174.94 174.50 2jkx s VAL 214 N 1.42 5.21 0.47 2.92 1.01 -1.26 -1.96 120.40 128.21 2jkx s VAL 214 Ca 0.51 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2jkx s VAL 214 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2jkx s VAL 214 CO 0.24 0.32 0.01 -0.94 0.00 0.00 0.00 175.10 174.74 2jkx s SER 215 N 1.26 3.94 0.06 3.32 1.04 -0.17 -4.72 113.70 118.43 2jkx s SER 215 Ca 0.07 -1.55 -0.03 0.00 0.48 0.00 0.00 55.95 54.92 2jkx s SER 215 Cb -0.14 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 2jkx s SER 215 CO 0.06 -0.71 0.03 1.51 0.98 0.00 0.00 173.24 175.12 2jkx s ASP 216 N -3.80 0.39 -0.25 7.02 1.47 -1.26 -1.09 116.67 119.15 2jkx s ASP 216 Ca 0.18 -0.90 -0.15 0.00 1.18 0.00 0.00 52.55 52.86 2jkx s ASP 216 Cb 0.05 0.24 0.07 0.00 -0.34 0.00 0.00 42.92 42.94 2jkx s ASP 216 CO 0.09 -0.63 0.61 -0.60 0.68 0.00 0.00 175.17 175.32 2jkx s ARG 217 N -3.88 0.63 -0.20 2.11 3.52 -0.63 -4.96 118.95 115.55 2jkx s ARG 217 Ca 0.06 1.07 -0.17 0.00 -0.13 0.00 0.00 55.73 56.57 2jkx s ARG 217 Cb 0.07 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.55 2jkx s ARG 217 CO -0.10 -0.14 0.43 0.99 -0.81 0.00 0.00 175.30 175.67 2jkx s THR 218 N 1.40 5.17 -0.30 4.11 2.01 -1.26 -0.81 115.64 125.96 2jkx s THR 218 Ca -0.09 0.78 -0.06 0.00 0.31 0.00 0.00 61.69 62.63 2jkx s THR 218 Cb -0.06 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2jkx s THR 218 CO -0.15 0.24 0.08 -0.69 -0.69 0.00 0.00 174.62 173.40 2jkx s VAL 219 N 1.36 3.85 0.00 3.82 1.01 -0.11 -4.90 120.40 125.44 2jkx s VAL 219 Ca 0.21 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2jkx s VAL 219 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jkx s VAL 219 CO 0.08 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.56 2jkx n THR 220 N 4.84 0.00 0.14 3.92 -2.24 -1.26 -1.60 114.28 118.08 2jkx n THR 220 Ca -0.14 -0.17 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2jkx n THR 220 Cb 0.47 0.65 0.58 0.00 -2.10 0.00 0.00 70.33 69.94 2jkx n THR 220 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2jkx h VAL 221 N 0.00 0.99 -0.04 2.28 3.04 -1.90 -0.59 116.25 120.03 2jkx h VAL 221 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2jkx h VAL 221 Cb 0.00 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2jkx h VAL 221 CO 0.00 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 176.94 2jkx n THR 222 N -4.50 0.03 -3.86 3.17 -2.24 -1.26 -4.74 114.28 100.88 2jkx n THR 222 Ca 0.01 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 2jkx n THR 222 Cb 0.16 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2jkx n THR 222 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jkx n LYS 223 N 0.44 -2.83 -3.64 -0.78 5.02 -0.23 -4.87 118.16 111.27 2jkx n LYS 223 Ca 0.18 0.43 -0.13 0.00 -2.02 0.00 0.00 58.31 56.77 2jkx n LYS 223 Cb 0.41 -4.43 -0.12 0.00 -0.02 0.00 0.00 35.03 30.86 2jkx n LYS 223 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jkx s HIS 224 N -3.79 -0.50 -0.58 2.13 2.46 -1.21 -4.25 115.29 109.55 2jkx s HIS 224 Ca 0.14 1.02 -0.22 0.00 0.47 0.00 0.00 55.06 56.47 2jkx s HIS 224 Cb -0.05 0.01 0.06 0.00 -0.13 0.00 0.00 32.58 32.47 2jkx s HIS 224 CO 0.88 -0.41 0.84 0.34 -2.47 0.00 0.00 174.74 173.92 2jkx s ASP 225 N 2.45 6.24 -0.03 9.88 -1.08 -1.25 -3.33 116.67 129.55 2jkx s ASP 225 Ca 0.02 -0.84 0.03 0.00 -0.52 0.00 0.00 52.55 51.23 2jkx s ASP 225 Cb -0.12 -2.38 0.13 0.00 -1.46 0.00 0.00 42.92 39.08 2jkx s ASP 225 CO -0.10 -1.21 0.79 0.23 0.52 0.00 0.00 175.17 175.41 2jkx n MET 226 N 7.10 1.55 -2.17 4.34 2.81 -1.26 -2.75 117.12 126.74 2jkx n MET 226 Ca -0.04 -0.49 -0.40 0.00 -1.81 0.00 0.00 57.70 54.96 2jkx n MET 226 Cb 0.46 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 2jkx n MET 226 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2jkx s PHE 227 N -1.41 3.11 -0.97 2.03 5.36 -1.25 -3.78 117.98 121.06 2jkx s PHE 227 Ca 0.09 1.46 -0.03 0.00 -0.96 0.00 0.00 56.93 57.48 2jkx s PHE 227 Cb 0.06 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 2jkx s PHE 227 CO 0.03 -1.68 0.83 0.00 -1.46 0.00 0.00 175.22 172.94 2jkx s PRO 229 N -5.47 2.78 0.45 0.00 0.04 -1.25 -1.66 135.00 129.90 2jkx s PRO 229 Ca 0.20 -1.29 -0.22 0.00 0.04 0.00 0.00 61.00 59.73 2jkx s PRO 229 Cb -0.09 -2.63 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 2jkx s PRO 229 CO 0.56 -0.15 1.06 0.20 0.04 0.00 0.00 177.00 178.72 2jkx s GLY 230 N -4.21 2.63 -0.03 0.56 0.00 -0.28 -4.67 107.32 101.33 2jkx s GLY 230 Ca 0.50 0.70 -0.00 0.00 0.00 0.00 0.00 44.72 45.91 2jkx s GLY 230 CO 0.30 1.07 0.02 -0.42 0.00 0.00 0.00 173.10 174.08 2jkx s ILE 231 N -1.79 0.04 0.00 0.90 1.01 -1.26 -1.21 121.20 118.89 2jkx s ILE 231 Ca 0.64 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.45 2jkx s ILE 231 Cb -0.20 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.07 2jkx s ILE 231 CO 0.25 0.14 0.06 -0.44 0.00 0.00 0.00 174.94 174.95 2jkx s SER 232 N 1.31 0.08 -0.34 3.58 0.01 -0.66 -4.60 113.70 113.08 2jkx s SER 232 Ca -0.06 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 2jkx s SER 232 Cb -0.13 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2jkx s SER 232 CO -0.03 -0.27 0.51 -0.32 0.41 0.00 0.00 173.24 173.55 2jkx s MET 233 N -1.09 3.69 0.97 12.44 1.75 -1.26 0.67 119.30 136.47 2jkx s MET 233 Ca -0.12 -0.09 -0.16 0.00 -1.25 0.00 0.00 55.69 54.08 2jkx s MET 233 Cb -0.07 -3.78 0.19 0.00 2.84 0.00 0.00 34.83 34.01 2jkx s MET 233 CO 0.00 -0.59 1.27 0.16 -0.65 0.00 0.00 175.02 175.21 2jkx s ASP 234 N 1.73 3.05 0.54 1.11 1.47 0.81 -4.74 116.67 120.64 2jkx s ASP 234 Ca 0.19 0.41 0.35 0.00 1.18 0.00 0.00 52.55 54.68 2jkx s ASP 234 Cb -0.15 -0.55 1.67 0.00 -0.34 0.00 0.00 42.92 43.55 2jkx s ASP 234 CO 0.13 -2.78 2.06 1.23 0.68 0.00 0.00 175.17 176.48 2jkx h GLY 235 N -1.67 0.00 -3.10 2.12 0.00 -1.48 -2.80 103.07 96.14 2jkx h GLY 235 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 2jkx h GLY 235 CO 0.42 0.00 0.12 0.70 0.00 0.00 0.00 176.54 177.78 2jkx n ASN 236 N -2.92 4.40 -2.47 0.19 4.13 -1.26 -4.51 115.26 112.82 2jkx n ASN 236 Ca -0.01 -2.84 -0.19 0.00 1.68 0.00 0.00 54.58 53.23 2jkx n ASN 236 Cb 0.20 -0.67 0.02 0.00 -1.54 0.00 0.00 39.78 37.78 2jkx n ASN 236 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jkx n GLY 237 N 0.19 -0.37 3.26 7.41 0.00 -1.06 -5.01 105.19 109.60 2jkx n GLY 237 Ca 0.27 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2jkx n GLY 237 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkx s GLN 238 N -5.34 2.35 -0.34 1.61 -0.21 -1.26 -4.25 119.66 112.23 2jkx s GLN 238 Ca 0.18 -0.87 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 2jkx s GLN 238 Cb -0.08 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.90 2jkx s GLN 238 CO 0.22 0.39 1.01 0.42 -2.12 0.00 0.00 175.29 175.21 2jkx s ILE 239 N -0.22 4.53 -0.39 1.08 1.01 -0.14 -0.14 121.20 126.94 2jkx s ILE 239 Ca -0.01 1.50 -0.18 0.00 0.00 0.00 0.00 60.65 61.96 2jkx s ILE 239 Cb -0.13 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 37.97 2jkx s ILE 239 CO 0.03 -0.51 0.50 -0.69 0.00 0.00 0.00 174.94 174.26 2jkx s VAL 240 N 3.60 5.02 -0.23 2.92 1.01 0.21 -0.46 120.40 132.47 2jkx s VAL 240 Ca 0.42 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 2jkx s VAL 240 Cb -0.12 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2jkx s VAL 240 CO 0.17 -0.34 -0.00 -0.69 0.00 0.00 0.00 175.10 174.23 2jkx s VAL 241 N 2.35 3.69 -0.12 2.92 1.01 0.32 -1.65 120.40 128.92 2jkx s VAL 241 Ca 0.16 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2jkx s VAL 241 Cb -0.16 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2jkx s VAL 241 CO 0.14 0.40 -0.17 0.42 0.00 0.00 0.00 175.10 175.89 2jkx s THR 242 N 1.51 2.63 0.00 3.92 -4.23 -0.35 -0.86 115.64 118.26 2jkx s THR 242 Ca 0.06 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2jkx s THR 242 Cb -0.15 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2jkx s THR 242 CO -0.01 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 2jkx n GLY 243 N 3.59 0.85 4.06 3.99 0.00 0.14 -1.12 105.19 116.69 2jkx n GLY 243 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2jkx n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 244 N 0.00 0.60 0.31 -0.02 0.00 -0.11 -4.24 105.19 101.72 2jkx n GLY 244 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.00 2jkx n GLY 244 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jkx h ASN 245 N 1.24 0.51 -3.42 1.61 4.21 -1.06 -2.98 115.58 115.69 2jkx h ASN 245 Ca 0.00 -0.02 -0.74 0.00 1.21 0.00 0.00 56.30 56.75 2jkx h ASN 245 Cb 0.00 -0.13 -0.29 0.00 -1.12 0.00 0.00 38.32 36.79 2jkx h ASN 245 CO 0.00 0.40 -0.29 -1.81 -1.29 0.00 0.00 177.43 174.44 2jkx s ASP 246 N -6.66 5.89 0.49 5.81 1.01 -1.11 -4.87 116.67 117.23 2jkx s ASP 246 Ca -0.08 -2.10 0.25 0.00 0.71 0.00 0.00 52.55 51.32 2jkx s ASP 246 Cb 0.17 -2.06 1.24 0.00 1.01 0.00 0.00 42.92 43.28 2jkx s ASP 246 CO 0.74 -0.67 1.98 0.00 0.21 0.00 0.00 175.17 177.43 2jkx h ALA 247 N 8.29 1.22 -0.02 5.23 0.00 -1.77 -2.63 119.26 129.58 2jkx h ALA 247 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jkx h ALA 247 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jkx h ALA 247 CO 0.86 0.22 -0.25 1.17 0.00 0.00 0.00 179.25 181.24 2jkx n LYS 248 N -3.61 1.69 -3.06 0.00 4.81 -1.26 -0.91 118.16 115.81 2jkx n LYS 248 Ca -0.01 -1.38 -0.33 0.00 -0.87 0.00 0.00 58.31 55.72 2jkx n LYS 248 Cb 0.31 -1.45 -0.06 0.00 0.02 0.00 0.00 35.03 33.85 2jkx n LYS 248 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jkx s LYS 249 N -2.19 4.07 -0.13 1.64 -0.14 -0.99 -0.82 119.74 121.18 2jkx s LYS 249 Ca 0.22 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.63 2jkx s LYS 249 Cb 0.18 -2.39 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 2jkx s LYS 249 CO 0.43 0.12 -0.20 0.99 -0.76 0.00 0.00 175.35 175.94 2jkx s THR 250 N -2.01 1.87 -0.09 2.17 2.01 -1.25 0.24 115.64 118.58 2jkx s THR 250 Ca 0.55 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 2jkx s THR 250 Cb -0.10 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 2jkx s THR 250 CO 0.17 0.51 -0.06 -0.44 -0.69 0.00 0.00 174.62 174.11 2jkx s SER 251 N 0.87 4.71 -0.19 3.53 0.01 -0.04 -0.65 113.70 121.94 2jkx s SER 251 Ca -0.07 -0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 2jkx s SER 251 Cb -0.15 -1.33 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 2jkx s SER 251 CO -0.02 0.32 -0.07 -0.76 0.41 0.00 0.00 173.24 173.13 2jkx s LEU 252 N -0.56 2.91 -0.27 2.44 1.43 -0.07 -0.53 118.68 124.04 2jkx s LEU 252 Ca 0.09 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2jkx s LEU 252 Cb -0.12 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2jkx s LEU 252 CO 0.02 0.06 0.16 -0.47 0.23 0.00 0.00 176.35 176.35 2jkx s TYR 253 N 0.99 3.20 -0.34 0.29 5.04 0.39 0.10 117.35 127.02 2jkx s TYR 253 Ca -0.00 0.01 -0.10 0.00 -2.44 0.00 0.00 57.07 54.53 2jkx s TYR 253 Cb -0.15 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.84 2jkx s TYR 253 CO 0.00 -0.17 0.17 0.34 -1.34 0.00 0.00 175.55 174.55 2jkx s ASP 254 N 1.61 5.62 0.16 4.32 2.15 -0.05 -0.97 116.67 129.52 2jkx s ASP 254 Ca 0.07 -0.71 -0.13 0.00 0.43 0.00 0.00 52.55 52.20 2jkx s ASP 254 Cb -0.15 -2.01 0.05 0.00 -0.30 0.00 0.00 42.92 40.51 2jkx s ASP 254 CO 0.08 -0.27 1.74 -1.28 -0.17 0.00 0.00 175.17 175.27 2jkx h SER 255 N 8.38 0.70 -0.76 -0.34 0.87 -1.86 -0.86 113.55 119.69 2jkx h SER 255 Ca -0.29 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2jkx h SER 255 Cb 1.13 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 2jkx h SER 255 CO 0.64 0.65 0.49 0.77 -0.53 0.00 0.00 176.83 178.85 2jkx h SER 256 N 0.71 0.83 0.10 6.23 4.64 -1.94 -2.44 113.55 121.68 2jkx h SER 256 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2jkx h SER 256 Cb 0.14 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2jkx h SER 256 CO -0.02 0.59 -0.21 -1.54 -0.87 0.00 0.00 176.83 174.77 2jkx n SER 257 N -4.59 1.56 -4.09 4.97 3.41 -1.20 -4.97 113.62 108.72 2jkx n SER 257 Ca 0.08 -1.28 -0.29 0.00 -0.26 0.00 0.00 58.87 57.12 2jkx n SER 257 Cb 0.05 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2jkx n SER 257 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jkx n ASP 258 N -0.11 -0.56 -4.09 4.04 2.03 -0.36 -4.97 116.55 112.53 2jkx n ASP 258 Ca 0.13 -1.07 -0.08 0.00 0.52 0.00 0.00 54.79 54.29 2jkx n ASP 258 Cb 0.40 -2.66 -0.10 0.00 -0.72 0.00 0.00 41.12 38.04 2jkx n ASP 258 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jkx s SER 259 N -4.17 0.58 -0.16 1.67 1.04 -0.98 -4.99 113.70 106.69 2jkx s SER 259 Ca 0.14 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 2jkx s SER 259 Cb -0.08 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2jkx s SER 259 CO 0.92 -0.51 0.07 0.26 0.98 0.00 0.00 173.24 174.96 2jkx s TRP 260 N -3.36 3.31 -0.09 5.02 0.52 -1.26 -0.87 118.94 122.22 2jkx s TRP 260 Ca 0.03 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.37 2jkx s TRP 260 Cb 0.04 -2.01 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 2jkx s TRP 260 CO -0.07 0.32 -0.15 0.42 0.02 0.00 0.00 176.95 177.50 2jkx s ILE 261 N -0.09 1.38 0.35 2.03 1.01 0.12 -4.88 121.20 121.12 2jkx s ILE 261 Ca 0.07 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 2jkx s ILE 261 Cb -0.12 -1.26 -0.12 0.00 0.01 0.00 0.00 42.46 40.97 2jkx s ILE 261 CO 0.01 0.41 1.34 -2.65 0.00 0.00 0.00 174.94 174.05 2jkx n PRO 262 N 3.97 2.25 -3.78 2.79 -0.02 -1.26 -0.89 135.00 138.06 2jkx n PRO 262 Ca -0.20 0.79 -0.24 0.00 -2.02 0.00 0.00 63.50 61.82 2jkx n PRO 262 Cb 0.52 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2jkx n PRO 262 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2jkx s GLY 263 N -0.27 2.27 0.38 -1.23 0.00 0.17 -4.77 107.32 103.88 2jkx s GLY 263 Ca 0.55 -1.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.43 2jkx s GLY 263 CO 0.63 -1.86 1.21 2.56 0.00 0.00 0.00 173.10 175.63 2jkx s PRO 264 N -4.21 4.13 0.40 2.90 0.04 -1.26 -4.51 135.00 132.49 2jkx s PRO 264 Ca 0.40 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 2jkx s PRO 264 Cb -0.02 -2.79 -0.10 0.00 0.04 0.00 0.00 34.50 31.63 2jkx s PRO 264 CO 0.24 -0.28 1.27 -0.25 0.04 0.00 0.00 177.00 178.02 2jkx n ASP 265 N 0.28 2.57 -4.73 6.66 9.92 -1.26 -3.91 116.55 126.09 2jkx n ASP 265 Ca 0.03 1.13 -0.31 0.00 -0.53 0.00 0.00 54.79 55.11 2jkx n ASP 265 Cb 0.45 -1.49 0.12 0.00 -0.64 0.00 0.00 41.12 39.56 2jkx n ASP 265 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2jkx s MET 266 N -2.12 1.70 0.22 -1.24 -1.94 0.00 -4.56 119.30 111.37 2jkx s MET 266 Ca 0.59 1.28 0.06 0.00 -1.71 0.00 0.00 55.69 55.92 2jkx s MET 266 Cb -0.52 -1.83 0.16 0.00 2.01 0.00 0.00 34.83 34.66 2jkx s MET 266 CO 0.59 -2.07 1.50 1.96 -0.01 0.00 0.00 175.02 176.99 2jkx h GLN 267 N -1.45 0.11 -5.90 2.03 1.08 -1.89 -3.44 115.11 105.66 2jkx h GLN 267 Ca -0.44 -0.10 -0.66 0.00 -1.45 0.00 0.00 58.65 56.00 2jkx h GLN 267 Cb 1.25 0.02 -0.31 0.00 -0.05 0.00 0.00 27.48 28.39 2jkx h GLN 267 CO 0.48 0.79 -0.87 0.08 -0.95 0.00 0.00 178.83 178.36 2jkx s VAL 268 N -3.43 1.89 0.09 -0.54 1.01 -1.26 -5.10 120.40 113.06 2jkx s VAL 268 Ca -0.02 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 2jkx s VAL 268 Cb 0.11 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2jkx s VAL 268 CO 0.80 0.53 1.24 0.00 0.00 0.00 0.00 175.10 177.67 2jkx s ALA 269 N -0.17 3.45 -0.00 5.51 0.00 -1.26 -4.77 121.76 124.51 2jkx s ALA 269 Ca -0.02 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 2jkx s ALA 269 Cb -0.13 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2jkx s ALA 269 CO 0.03 -0.47 0.17 1.03 0.00 0.00 0.00 175.76 176.52 2jkx s ARG 270 N 0.89 0.52 -0.05 0.00 0.52 -0.09 -4.54 118.95 116.19 2jkx s ARG 270 Ca 0.59 -0.35 -0.06 0.00 -0.52 0.00 0.00 55.73 55.39 2jkx s ARG 270 Cb -0.32 0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.39 2jkx s ARG 270 CO 0.30 -0.13 0.16 0.20 0.02 0.00 0.00 175.30 175.85 2jkx s GLY 271 N -1.36 -0.10 -0.15 -3.53 0.00 -0.18 -0.94 107.32 101.06 2jkx s GLY 271 Ca -0.14 0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2jkx s GLY 271 CO 0.02 0.30 0.00 -1.72 0.00 0.00 0.00 173.10 171.70 2jkx n TYR 272 N 2.78 0.00 -1.56 1.90 4.02 -0.66 -1.64 117.16 121.98 2jkx n TYR 272 Ca -0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.42 2jkx n TYR 272 Cb 0.58 -1.18 0.07 0.00 -0.02 0.00 0.00 39.34 38.79 2jkx n TYR 272 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2jkx s GLN 273 N -1.29 2.52 0.00 -0.72 0.00 -1.26 -0.65 119.66 118.27 2jkx s GLN 273 Ca 0.00 1.40 -0.08 0.00 -0.00 0.00 0.00 55.36 56.68 2jkx s GLN 273 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 33.01 31.05 2jkx s GLN 273 CO 0.00 -1.47 0.29 -1.12 0.00 0.00 0.00 175.29 172.99 2jkx s SER 274 N -2.68 6.55 0.18 12.60 0.01 -1.26 -3.82 113.70 125.28 2jkx s SER 274 Ca 0.67 0.64 0.11 0.00 1.31 0.00 0.00 55.95 58.67 2jkx s SER 274 Cb -0.21 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2jkx s SER 274 CO 0.46 0.27 -0.22 -0.94 0.41 0.00 0.00 173.24 173.22 2jkx s SER 275 N -1.56 3.59 -0.04 2.44 1.04 -1.26 -3.28 113.70 114.63 2jkx s SER 275 Ca 0.26 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 2jkx s SER 275 Cb -0.14 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.67 2jkx s SER 275 CO 0.15 0.13 0.08 0.00 0.98 0.00 0.00 173.24 174.57 2jkx s ALA 276 N -1.58 0.02 0.36 5.32 0.00 0.94 -4.69 121.76 122.12 2jkx s ALA 276 Ca 0.21 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 2jkx s ALA 276 Cb -0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 23.12 22.49 2jkx s ALA 276 CO 0.10 -0.25 1.41 0.99 0.00 0.00 0.00 175.76 178.01 2jkx s THR 277 N 1.47 2.34 0.48 0.00 2.01 -1.26 -1.07 115.64 119.61 2jkx s THR 277 Ca -0.05 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.37 2jkx s THR 277 Cb -0.12 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.20 2jkx s THR 277 CO -0.04 0.08 0.51 -0.04 -0.69 0.00 0.00 174.62 174.44 2jkx s MET 278 N -1.99 2.47 0.64 4.92 -1.94 0.11 -3.53 119.30 119.98 2jkx s MET 278 Ca 0.51 -1.62 0.40 0.00 -1.71 0.00 0.00 55.69 53.27 2jkx s MET 278 Cb -0.43 -2.44 2.18 0.00 2.01 0.00 0.00 34.83 36.14 2jkx s MET 278 CO 0.58 -0.46 2.31 0.66 -0.01 0.00 0.00 175.02 178.11 2jkx h SER 279 N 0.70 0.00 -0.52 3.03 4.64 -1.76 -1.50 113.55 118.14 2jkx h SER 279 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2jkx h SER 279 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jkx h SER 279 CO 0.51 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 2jkx n ASP 280 N -3.31 3.58 0.00 4.97 5.68 -1.26 -4.64 116.55 121.57 2jkx n ASP 280 Ca -0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 2jkx n ASP 280 Cb 0.09 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2jkx n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkx n GLY 281 N 1.44 1.70 3.82 6.12 0.00 -0.56 -4.90 105.19 112.79 2jkx n GLY 281 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2jkx n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkx s ARG 282 N -0.36 1.19 -0.11 1.61 0.52 -1.26 -1.53 118.95 119.02 2jkx s ARG 282 Ca 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 2jkx s ARG 282 Cb 0.00 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.63 2jkx s ARG 282 CO 0.00 -2.14 -0.17 0.08 0.02 0.00 0.00 175.30 173.10 2jkx s VAL 283 N -3.39 1.60 -0.12 3.52 1.01 -0.72 0.07 120.40 122.36 2jkx s VAL 283 Ca 0.64 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2jkx s VAL 283 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2jkx s VAL 283 CO 0.52 0.46 0.13 0.12 0.00 0.00 0.00 175.10 176.33 2jkx s PHE 284 N 0.91 3.55 0.04 5.22 5.36 -0.24 0.13 117.98 132.96 2jkx s PHE 284 Ca -0.08 0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2jkx s PHE 284 Cb -0.15 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2jkx s PHE 284 CO -0.01 0.69 -0.03 -0.08 -1.46 0.00 0.00 175.22 174.33 2jkx s THR 285 N -0.95 0.23 0.02 0.12 -1.32 -0.44 -0.04 115.64 113.26 2jkx s THR 285 Ca 0.14 -1.54 -0.24 0.00 -1.21 0.00 0.00 61.69 58.85 2jkx s THR 285 Cb -0.12 -1.15 0.05 0.00 -1.51 0.00 0.00 72.50 69.78 2jkx s THR 285 CO 0.04 -0.83 0.54 -0.51 -2.21 0.00 0.00 174.62 171.64 2jkx s ILE 286 N -3.13 0.02 0.00 5.08 2.07 -1.20 -1.20 121.20 122.84 2jkx s ILE 286 Ca 0.00 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 2jkx s ILE 286 Cb 0.02 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2jkx s ILE 286 CO -0.07 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.46 2jkx n GLY 287 N 0.57 -0.54 0.22 1.50 0.00 -0.19 -4.02 105.19 102.73 2jkx n GLY 287 Ca -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2jkx n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 288 N 0.00 0.90 0.50 -0.02 0.00 -1.14 -4.63 105.19 100.81 2jkx n GLY 288 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.36 2jkx n GLY 288 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkx n SER 289 N -0.22 1.48 -0.02 1.61 7.64 -1.18 -1.01 113.62 121.92 2jkx n SER 289 Ca 0.00 -1.85 0.03 0.00 1.01 0.00 0.00 58.87 58.06 2jkx n SER 289 Cb 0.07 -0.15 0.39 0.00 -1.01 0.00 0.00 64.21 63.52 2jkx n SER 289 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2jkx h TRP 290 N 1.76 0.57 -4.02 1.43 7.01 -1.39 -3.42 115.95 117.88 2jkx h TRP 290 Ca 0.00 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 2jkx h TRP 290 Cb 0.39 -0.19 -0.13 0.00 -2.10 0.00 0.00 29.16 27.13 2jkx h TRP 290 CO 0.15 0.37 -0.41 -1.54 -2.79 0.00 0.00 178.44 174.22 2jkx s SER 291 N -6.65 0.12 0.00 2.65 1.04 -1.26 -4.86 113.70 104.74 2jkx s SER 291 Ca -0.08 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2jkx s SER 291 Cb 0.17 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2jkx s SER 291 CO 0.74 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2jkx n GLY 292 N -0.17 1.55 0.00 7.32 0.00 -1.26 -2.90 105.19 109.72 2jkx n GLY 292 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jkx n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 293 N -2.00 3.53 3.18 -0.02 0.00 -1.26 -4.72 105.19 103.90 2jkx n GLY 293 Ca 0.00 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 2jkx n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkx s VAL 294 N -2.45 3.64 0.25 1.61 1.01 -1.26 -4.62 120.40 118.57 2jkx s VAL 294 Ca 0.00 -1.72 -0.21 0.00 0.00 0.00 0.00 61.98 60.05 2jkx s VAL 294 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 33.10 2jkx s VAL 294 CO 0.00 -0.56 0.92 0.72 0.00 0.00 0.00 175.10 176.18 2jkx s PHE 295 N 1.27 0.01 -0.34 5.22 -0.71 -1.26 -5.02 117.98 117.15 2jkx s PHE 295 Ca 0.04 -0.48 -0.29 0.00 -1.04 0.00 0.00 56.93 55.17 2jkx s PHE 295 Cb -0.23 0.73 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2jkx s PHE 295 CO -0.01 -1.12 1.45 -1.21 -1.34 0.00 0.00 175.22 172.98 2jkx s GLU 296 N -2.64 3.69 -0.58 1.99 2.02 -1.26 -4.88 118.70 117.04 2jkx s GLU 296 Ca 0.17 1.19 -0.07 0.00 0.02 0.00 0.00 54.97 56.28 2jkx s GLU 296 Cb -0.03 -4.00 0.15 0.00 0.10 0.00 0.00 34.13 30.35 2jkx s GLU 296 CO 0.07 -1.42 0.43 0.15 0.02 0.00 0.00 175.26 174.51 2jkx s LYS 297 N 4.73 2.64 0.75 1.61 1.02 -1.26 -5.03 119.74 124.20 2jkx s LYS 297 Ca 0.63 -2.16 -0.13 0.00 0.02 0.00 0.00 55.97 54.34 2jkx s LYS 297 Cb -0.17 -3.90 0.18 0.00 -0.52 0.00 0.00 37.83 33.41 2jkx s LYS 297 CO 0.29 -1.19 0.91 0.09 -0.92 0.00 0.00 175.35 174.53 2jkx n ASN 298 N 4.22 -0.42 -4.77 2.83 3.02 -1.26 -1.02 115.26 117.85 2jkx n ASN 298 Ca 0.02 -1.25 -0.31 0.00 -0.03 0.00 0.00 54.58 53.01 2jkx n ASN 298 Cb 0.41 -0.73 0.09 0.00 -0.61 0.00 0.00 39.78 38.94 2jkx n ASN 298 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2jkx s GLY 299 N -4.77 1.67 0.17 7.41 0.00 -0.15 -4.44 107.32 107.21 2jkx s GLY 299 Ca 0.53 0.22 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 2jkx s GLY 299 CO 0.38 0.57 0.38 -1.83 0.00 0.00 0.00 173.10 172.60 2jkx s GLU 300 N -4.93 1.22 -0.02 2.90 -1.05 -0.34 0.11 118.70 116.58 2jkx s GLU 300 Ca 0.61 -1.00 0.01 0.00 -0.15 0.00 0.00 54.97 54.44 2jkx s GLU 300 Cb -0.17 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2jkx s GLU 300 CO 0.56 -0.48 -0.05 0.54 0.95 0.00 0.00 175.26 176.78 2jkx s VAL 301 N -3.91 0.50 -0.19 1.83 0.11 -0.00 -1.33 120.40 117.41 2jkx s VAL 301 Ca 0.12 -0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2jkx s VAL 301 Cb 0.02 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2jkx s VAL 301 CO -0.03 0.18 0.12 -0.47 -3.33 0.00 0.00 175.10 171.57 2jkx s TYR 302 N 0.43 3.41 -0.27 1.54 5.04 0.12 -0.43 117.35 127.19 2jkx s TYR 302 Ca -0.05 0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.83 2jkx s TYR 302 Cb -0.09 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.10 2jkx s TYR 302 CO -0.00 0.33 0.04 0.45 -1.34 0.00 0.00 175.55 175.03 2jkx s SER 303 N 0.19 4.91 0.53 4.32 0.15 -0.39 -1.76 113.70 121.65 2jkx s SER 303 Ca 0.08 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 56.42 2jkx s SER 303 Cb -0.11 -1.85 1.51 0.00 -1.71 0.00 0.00 66.02 63.86 2jkx s SER 303 CO -0.01 -0.13 2.12 -0.65 1.20 0.00 0.00 173.24 175.78 2jkx h PRO 304 N 8.19 0.00 0.03 5.44 0.11 -1.88 0.12 132.00 144.02 2jkx h PRO 304 Ca -0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 2jkx h PRO 304 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jkx h PRO 304 CO 0.60 0.09 -0.25 0.66 -0.21 0.00 0.00 178.00 178.88 2jkx h SER 305 N 0.00 0.11 0.72 -2.05 4.64 -1.97 -3.34 113.55 111.66 2jkx h SER 305 Ca -0.00 -0.97 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 2jkx h SER 305 Cb 0.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jkx h SER 305 CO 0.01 1.12 -0.39 -1.54 -0.87 0.00 0.00 176.83 175.16 2jkx n SER 306 N -4.48 0.43 -3.50 4.97 3.41 -1.23 -4.97 113.62 108.25 2jkx n SER 306 Ca -0.12 0.02 -0.20 0.00 -0.26 0.00 0.00 58.87 58.32 2jkx n SER 306 Cb 0.57 0.02 0.08 0.00 -0.26 0.00 0.00 64.21 64.63 2jkx n SER 306 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jkx n LYS 307 N -1.64 -6.92 -4.17 4.33 5.02 0.40 -5.02 118.16 110.17 2jkx n LYS 307 Ca 0.05 0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 56.99 2jkx n LYS 307 Cb 0.36 -5.83 -0.12 0.00 -0.02 0.00 0.00 35.03 29.42 2jkx n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jkx s THR 308 N -3.36 1.09 -0.17 -0.18 -4.23 -1.18 -4.55 115.64 103.06 2jkx s THR 308 Ca 0.18 -1.34 -0.07 0.00 -1.18 0.00 0.00 61.69 59.28 2jkx s THR 308 Cb -0.08 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2jkx s THR 308 CO 0.74 -0.26 0.08 0.26 -0.54 0.00 0.00 174.62 174.89 2jkx s TRP 309 N -1.40 3.31 -0.11 3.99 0.52 -1.26 -1.26 118.94 122.73 2jkx s TRP 309 Ca -0.01 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.32 2jkx s TRP 309 Cb -0.09 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.17 2jkx s TRP 309 CO 0.02 0.27 -0.22 0.99 0.02 0.00 0.00 176.95 178.03 2jkx s THR 310 N 0.10 2.21 0.27 2.01 2.01 0.43 -4.75 115.64 117.93 2jkx s THR 310 Ca 0.06 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2jkx s THR 310 Cb -0.12 -1.86 -0.10 0.00 0.01 0.00 0.00 72.50 70.43 2jkx s THR 310 CO 0.00 0.55 1.42 -0.55 -0.69 0.00 0.00 174.62 175.36 2jkx s SER 311 N 0.41 6.65 -0.69 3.53 0.15 -1.26 -0.82 113.70 121.66 2jkx s SER 311 Ca -0.16 2.70 0.05 0.00 0.70 0.00 0.00 55.95 59.24 2jkx s SER 311 Cb -0.17 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 61.75 2jkx s SER 311 CO 0.07 -0.69 0.77 0.18 1.20 0.00 0.00 173.24 174.78 2jkx n LEU 312 N 1.95 3.89 0.26 3.45 4.77 0.12 -4.89 117.00 126.54 2jkx n LEU 312 Ca 0.05 -5.40 0.17 0.00 -0.03 0.00 0.00 56.01 50.81 2jkx n LEU 312 Cb 0.40 -0.74 0.78 0.00 -2.33 0.00 0.00 43.42 41.54 2jkx n LEU 312 CO 0.61 1.98 1.00 1.55 -1.33 0.00 0.00 177.39 181.20 2jkx h PRO 313 N 4.46 0.00 -0.00 3.23 0.13 -1.66 -1.12 132.00 137.05 2jkx h PRO 313 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jkx h PRO 313 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2jkx h PRO 313 CO 0.86 0.00 -0.38 0.09 -0.23 0.00 0.00 178.00 178.34 2jkx n ASN 314 N -2.86 0.67 -4.58 1.44 3.02 -0.38 -4.34 115.26 108.24 2jkx n ASN 314 Ca -0.00 -0.47 -0.41 0.00 -0.03 0.00 0.00 54.58 53.67 2jkx n ASN 314 Cb 0.21 0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 2jkx n ASN 314 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkx s ALA 315 N -2.80 3.02 0.08 5.41 0.00 -0.43 -3.59 121.76 123.45 2jkx s ALA 315 Ca 0.17 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.15 2jkx s ALA 315 Cb 0.18 -4.62 -0.05 0.00 0.00 0.00 0.00 23.12 18.63 2jkx s ALA 315 CO 0.62 -3.57 1.03 0.15 0.00 0.00 0.00 175.76 173.99 2jkx s LYS 316 N 4.65 4.59 0.37 0.00 -0.14 -1.26 -0.97 119.74 126.98 2jkx s LYS 316 Ca 0.54 1.55 0.19 0.00 -1.36 0.00 0.00 55.97 56.88 2jkx s LYS 316 Cb 0.02 -3.38 0.64 0.00 -1.68 0.00 0.00 37.83 33.44 2jkx s LYS 316 CO 0.04 0.03 1.71 -0.24 -0.76 0.00 0.00 175.35 176.14 2jkx h VAL 317 N 4.29 0.88 -0.61 3.17 3.04 -1.91 -3.37 116.25 121.73 2jkx h VAL 317 Ca -0.42 -1.56 0.12 0.00 -1.01 0.00 0.00 66.70 63.83 2jkx h VAL 317 Cb 1.21 1.96 -0.12 0.00 -2.01 0.00 0.00 31.29 32.33 2jkx h VAL 317 CO 0.74 0.37 -0.20 -1.13 -1.01 0.00 0.00 177.57 176.35 2jkx h ASN 318 N 0.00 -0.71 0.09 3.17 -0.73 -1.94 -0.96 115.58 114.51 2jkx h ASN 318 Ca -0.00 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2jkx h ASN 318 Cb 0.93 0.43 0.00 0.00 0.27 0.00 0.00 38.32 39.95 2jkx h ASN 318 CO 0.05 -0.23 0.00 -0.65 -0.37 0.00 0.00 177.43 176.23 2jkx h PRO 319 N -0.04 0.00 -0.38 6.67 0.11 -2.01 -2.35 132.00 133.99 2jkx h PRO 319 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2jkx h PRO 319 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2jkx h PRO 319 CO -0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.14 2jkx n MET 320 N -2.81 2.51 -2.25 1.05 0.00 -0.37 -4.80 117.12 110.45 2jkx n MET 320 Ca -0.02 -2.30 -0.41 0.00 0.00 0.00 0.00 57.70 54.97 2jkx n MET 320 Cb 0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 33.22 31.76 2jkx n MET 320 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2jkx s LEU 321 N -1.49 4.42 0.99 3.17 1.43 -0.89 -4.43 118.68 121.87 2jkx s LEU 321 Ca 0.39 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 2jkx s LEU 321 Cb 0.23 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 43.03 2jkx s LEU 321 CO 0.32 -0.51 1.21 0.42 0.23 0.00 0.00 176.35 178.02 2jkx s THR 322 N 0.20 1.91 -0.42 5.49 -4.23 -0.84 -4.86 115.64 112.90 2jkx s THR 322 Ca 0.57 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.10 2jkx s THR 322 Cb -0.36 -2.81 0.50 0.00 1.34 0.00 0.00 72.50 71.17 2jkx s THR 322 CO 0.37 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 176.28 2jkx n ALA 323 N -3.95 5.29 -1.58 3.99 0.00 -1.26 -4.82 120.51 118.18 2jkx n ALA 323 Ca 0.12 -2.51 -0.49 0.00 0.00 0.00 0.00 53.44 50.56 2jkx n ALA 323 Cb 0.60 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2jkx n ALA 323 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jkx n ASP 324 N -0.75 1.42 0.22 0.00 -0.08 -1.26 -4.85 116.55 111.24 2jkx n ASP 324 Ca 0.50 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 55.04 2jkx n ASP 324 Cb 1.24 -1.23 0.70 0.00 2.34 0.00 0.00 41.12 44.18 2jkx n ASP 324 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2jkx h LYS 325 N 3.40 0.00 -0.00 -0.67 1.57 -1.95 -0.95 116.57 117.96 2jkx h LYS 325 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jkx h LYS 325 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2jkx h LYS 325 CO 0.70 0.00 -0.10 1.04 -0.57 0.00 0.00 179.45 180.53 2jkx n GLN 326 N -4.35 0.54 0.00 3.15 6.02 -1.26 -5.04 117.38 116.44 2jkx n GLN 326 Ca -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2jkx n GLN 326 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2jkx n GLN 326 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkx n GLY 327 N 1.31 -0.43 0.26 1.08 0.00 -0.36 -4.27 105.19 102.77 2jkx n GLY 327 Ca 0.13 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 45.14 2jkx n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jkx h LEU 328 N 0.00 0.00 -0.93 0.99 5.85 -1.95 -1.31 115.31 117.96 2jkx h LEU 328 Ca 0.00 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.99 2jkx h LEU 328 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 2jkx h LEU 328 CO 0.00 0.05 0.35 0.22 -0.34 0.00 0.00 178.44 178.72 2jkx h TYR 329 N 0.00 0.55 0.00 1.25 3.20 -1.85 -3.04 116.97 117.08 2jkx h TYR 329 Ca -0.00 0.05 -0.31 0.00 3.14 0.00 0.00 58.73 61.61 2jkx h TYR 329 Cb 0.09 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2jkx h TYR 329 CO 0.00 -0.22 -2.16 0.54 -1.64 0.00 0.00 178.16 174.68 2jkx n ARG 330 N -5.18 1.17 0.24 1.82 5.12 -0.75 -3.72 116.66 115.35 2jkx n ARG 330 Ca 0.26 0.01 0.16 0.00 -1.93 0.00 0.00 57.85 56.35 2jkx n ARG 330 Cb 0.82 -1.43 0.63 0.00 -1.16 0.00 0.00 32.46 31.32 2jkx n ARG 330 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2jkx h SER 331 N 0.00 0.00 -0.61 0.55 4.64 -1.14 -1.53 113.55 115.46 2jkx h SER 331 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jkx h SER 331 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 2jkx h SER 331 CO 0.01 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.07 2jkx n ASP 332 N -2.85 4.31 -4.85 4.97 5.68 -1.25 -1.98 116.55 120.58 2jkx n ASP 332 Ca 0.01 -2.33 -0.32 0.00 -0.50 0.00 0.00 54.79 51.66 2jkx n ASP 332 Cb 0.28 -0.51 -0.05 0.00 -1.14 0.00 0.00 41.12 39.70 2jkx n ASP 332 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2jkx s ASN 333 N -1.01 6.68 -1.44 -1.12 -0.87 -0.58 -2.88 114.94 113.73 2jkx s ASN 333 Ca 0.47 1.33 -0.02 0.00 -1.57 0.00 0.00 52.86 53.07 2jkx s ASN 333 Cb 0.29 -2.40 0.01 0.00 -0.02 0.00 0.00 41.25 39.13 2jkx s ASN 333 CO 0.25 -0.35 0.42 1.41 -2.57 0.00 0.00 177.10 176.26 2jkx n HIS 334 N -0.91 -1.63 -1.71 2.20 8.25 0.18 -4.80 115.22 116.80 2jkx n HIS 334 Ca 0.04 0.74 -0.38 0.00 -0.26 0.00 0.00 57.72 57.86 2jkx n HIS 334 Cb 0.54 -3.63 0.05 0.00 1.12 0.00 0.00 29.99 28.07 2jkx n HIS 334 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jkx n ALA 335 N -4.41 1.14 -2.69 -1.41 0.00 -1.26 -4.51 120.51 107.36 2jkx n ALA 335 Ca -0.28 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 2jkx n ALA 335 Cb 0.67 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2jkx n ALA 335 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2jkx n TRP 336 N -1.35 4.42 -3.57 0.00 8.01 0.45 -4.72 117.44 120.68 2jkx n TRP 336 Ca 0.12 -3.14 -0.36 0.00 -1.31 0.00 0.00 57.50 52.81 2jkx n TRP 336 Cb 0.46 -2.23 -0.06 0.00 -2.01 0.00 0.00 31.31 27.47 2jkx n TRP 336 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2jkx s LEU 337 N 1.66 4.41 -0.04 -0.99 1.43 -1.26 -1.64 118.68 122.26 2jkx s LEU 337 Ca 0.44 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.37 2jkx s LEU 337 Cb 0.02 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2jkx s LEU 337 CO 0.01 0.26 0.05 -0.36 0.23 0.00 0.00 176.35 176.54 2jkx s PHE 338 N -1.22 0.13 0.34 0.29 0.40 -0.21 -4.72 117.98 112.99 2jkx s PHE 338 Ca 0.27 0.20 -0.28 0.00 -0.60 0.00 0.00 56.93 56.51 2jkx s PHE 338 Cb -0.15 -0.49 -0.12 0.00 0.51 0.00 0.00 43.02 42.77 2jkx s PHE 338 CO 0.15 -0.19 1.39 0.41 0.70 0.00 0.00 175.22 177.67 2jkx n GLY 339 N 5.16 0.86 0.00 4.36 0.00 -1.23 -0.58 105.19 113.75 2jkx n GLY 339 Ca -0.06 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2jkx n GLY 339 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2jkx n TRP 340 N 0.66 -0.00 -1.81 1.61 -0.00 0.17 -4.83 117.44 113.24 2jkx n TRP 340 Ca 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.15 2jkx n TRP 340 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.69 2jkx n TRP 340 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2jkx s LYS 341 N -0.18 3.77 -1.34 5.87 1.02 -1.26 -3.65 119.74 123.97 2jkx s LYS 341 Ca 0.00 2.44 -0.05 0.00 0.02 0.00 0.00 55.97 58.38 2jkx s LYS 341 Cb 0.00 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 2jkx s LYS 341 CO 0.00 -0.76 0.92 1.63 -0.92 0.00 0.00 175.35 176.22 2jkx n LYS 342 N -0.07 -5.98 -0.92 1.68 5.02 -1.26 -1.85 118.16 114.78 2jkx n LYS 342 Ca 0.04 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2jkx n LYS 342 Cb 0.41 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 2jkx n LYS 342 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkx n GLY 343 N -1.58 0.58 3.85 0.72 0.00 -1.24 -4.87 105.19 102.65 2jkx n GLY 343 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2jkx n GLY 343 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jkx s SER 344 N -2.43 5.59 -0.06 1.61 1.04 -0.77 -3.83 113.70 114.85 2jkx s SER 344 Ca 0.00 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 2jkx s SER 344 Cb 0.00 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.80 2jkx s SER 344 CO 0.00 -1.29 0.00 -0.69 0.98 0.00 0.00 173.24 172.24 2jkx s VAL 345 N -3.16 0.32 0.03 5.02 1.01 -0.18 -0.66 120.40 122.79 2jkx s VAL 345 Ca 0.57 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 2jkx s VAL 345 Cb -0.13 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2jkx s VAL 345 CO 0.54 0.23 0.60 0.12 0.00 0.00 0.00 175.10 176.59 2jkx s PHE 346 N 1.69 3.73 -0.31 5.22 5.36 0.26 -0.67 117.98 133.26 2jkx s PHE 346 Ca 0.00 1.25 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 2jkx s PHE 346 Cb -0.13 -2.58 0.06 0.00 -0.34 0.00 0.00 43.02 40.03 2jkx s PHE 346 CO -0.04 0.43 0.02 -1.14 -1.46 0.00 0.00 175.22 173.03 2jkx s GLN 347 N -0.51 2.26 0.03 10.12 -0.44 -0.02 -1.05 119.66 130.05 2jkx s GLN 347 Ca 0.31 -1.41 0.25 0.00 -2.50 0.00 0.00 55.36 52.00 2jkx s GLN 347 Cb -0.19 -3.20 0.41 0.00 -1.64 0.00 0.00 33.01 28.40 2jkx s GLN 347 CO 0.18 -0.70 1.35 0.00 0.50 0.00 0.00 175.29 176.62 2jkx n ALA 348 N 4.56 3.43 0.00 1.58 0.00 -0.65 -1.21 120.51 128.23 2jkx n ALA 348 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2jkx n ALA 348 Cb 0.43 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2jkx n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jkx n GLY 349 N 1.45 -0.88 0.27 0.00 0.00 -1.26 -4.77 105.19 100.01 2jkx n GLY 349 Ca 0.05 -1.15 0.17 0.00 0.00 0.00 0.00 46.02 45.10 2jkx n GLY 349 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jkx h PRO 350 N 0.00 0.00 -6.93 1.61 0.13 -1.83 0.13 132.00 125.11 2jkx h PRO 350 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2jkx h PRO 350 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2jkx h PRO 350 CO 0.00 0.00 0.42 -1.13 -0.23 0.00 0.00 178.00 177.06 2jkx n SER 351 N -2.97 1.99 -0.26 1.44 3.41 -1.26 -0.85 113.62 115.11 2jkx n SER 351 Ca 0.00 0.94 0.08 0.00 -0.26 0.00 0.00 58.87 59.63 2jkx n SER 351 Cb 0.26 -1.50 0.21 0.00 -0.26 0.00 0.00 64.21 62.92 2jkx n SER 351 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2jkx h THR 352 N 1.20 0.48 -2.95 6.66 2.02 -1.81 -3.40 112.91 115.11 2jkx h THR 352 Ca -0.49 -0.10 -0.55 0.00 0.77 0.00 0.00 66.41 66.04 2jkx h THR 352 Cb 1.32 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2jkx h THR 352 CO 0.55 0.05 0.83 0.00 0.37 0.00 0.00 175.52 177.32 2jkx s ALA 353 N -6.01 3.58 0.22 6.16 0.00 -1.26 -0.90 121.76 123.54 2jkx s ALA 353 Ca -0.12 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 2jkx s ALA 353 Cb 0.22 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2jkx s ALA 353 CO 0.76 -0.97 0.47 -1.64 0.00 0.00 0.00 175.76 174.38 2jkx s MET 354 N 2.78 3.63 0.00 0.00 1.00 -0.20 -4.64 119.30 121.89 2jkx s MET 354 Ca 0.59 -0.05 -0.04 0.00 0.00 0.00 0.00 55.69 56.19 2jkx s MET 354 Cb -0.26 -2.74 -0.01 0.00 0.00 0.00 0.00 34.83 31.82 2jkx s MET 354 CO 0.22 0.34 0.07 -0.80 0.00 0.00 0.00 175.02 174.84 2jkx s ASN 355 N -2.82 0.09 -0.15 3.03 0.01 -0.35 -0.96 114.94 113.80 2jkx s ASN 355 Ca 0.43 -0.27 -0.16 0.00 -0.71 0.00 0.00 52.86 52.15 2jkx s ASN 355 Cb -0.11 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 2jkx s ASN 355 CO 0.27 -0.30 0.39 0.26 -1.51 0.00 0.00 177.10 176.20 2jkx s TRP 356 N -1.24 3.47 -0.09 2.20 0.52 0.82 -0.84 118.94 123.78 2jkx s TRP 356 Ca -0.13 0.73 -0.02 0.00 0.02 0.00 0.00 56.10 56.69 2jkx s TRP 356 Cb -0.08 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2jkx s TRP 356 CO 0.00 0.18 0.01 0.71 0.02 0.00 0.00 176.95 177.87 2jkx s TYR 357 N 0.63 3.17 -0.00 -1.98 2.02 0.16 -0.63 117.35 120.71 2jkx s TYR 357 Ca 0.21 0.18 0.07 0.00 -0.37 0.00 0.00 57.07 57.16 2jkx s TYR 357 Cb -0.14 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2jkx s TYR 357 CO 0.07 0.44 -0.23 0.71 -1.57 0.00 0.00 175.55 174.97 2jkx s TYR 358 N -0.78 2.04 -1.11 2.71 2.02 -0.52 -1.01 117.35 120.70 2jkx s TYR 358 Ca 0.12 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.53 2jkx s TYR 358 Cb -0.12 -1.29 0.09 0.00 -0.40 0.00 0.00 41.96 40.24 2jkx s TYR 358 CO 0.02 -0.00 0.83 0.25 -1.57 0.00 0.00 175.55 175.08 2jkx n THR 359 N 2.36 0.09 -2.51 -0.71 -2.24 -1.25 -2.08 114.28 107.94 2jkx n THR 359 Ca -0.16 -0.54 -0.34 0.00 -2.27 0.00 0.00 64.05 60.74 2jkx n THR 359 Cb 0.52 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 2jkx n THR 359 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jkx s SER 360 N -0.78 6.28 0.93 3.42 1.04 -1.26 -4.64 113.70 118.68 2jkx s SER 360 Ca 0.11 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2jkx s SER 360 Cb 0.08 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2jkx s SER 360 CO 0.12 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2jkx n GLY 361 N -0.23 2.82 1.13 7.32 0.00 -1.26 -1.49 105.19 113.48 2jkx n GLY 361 Ca 0.09 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2jkx n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkx n SER 362 N 0.92 3.25 0.00 1.61 7.64 -1.26 -4.95 113.62 120.84 2jkx n SER 362 Ca 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 2jkx n SER 362 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2jkx n SER 362 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jkx n GLY 363 N 0.64 -0.44 3.75 0.23 0.00 -0.55 -1.24 105.19 107.58 2jkx n GLY 363 Ca 0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 2jkx n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkx s ASP 364 N -2.46 -0.16 -0.09 1.61 2.15 -0.88 -3.78 116.67 113.05 2jkx s ASP 364 Ca 0.00 -0.77 -0.06 0.00 0.43 0.00 0.00 52.55 52.14 2jkx s ASP 364 Cb 0.00 0.68 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 2jkx s ASP 364 CO 0.00 -1.29 0.22 0.54 -0.17 0.00 0.00 175.17 174.47 2jkx s VAL 365 N -3.86 -0.02 -0.04 1.11 0.11 -1.25 -1.44 120.40 115.01 2jkx s VAL 365 Ca 0.16 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 2jkx s VAL 365 Cb -0.04 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2jkx s VAL 365 CO 0.08 0.03 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.05 2jkx s LYS 366 N 0.63 1.07 0.22 1.54 2.20 0.19 -4.98 119.74 120.61 2jkx s LYS 366 Ca -0.04 -0.25 -0.32 0.00 -0.36 0.00 0.00 55.97 55.00 2jkx s LYS 366 Cb -0.06 -0.98 -0.13 0.00 -1.51 0.00 0.00 37.83 35.15 2jkx s LYS 366 CO -0.04 0.02 1.46 0.43 -0.36 0.00 0.00 175.35 176.86 2jkx n SER 367 N 3.71 2.89 -0.74 1.43 7.64 -1.26 -0.12 113.62 127.16 2jkx n SER 367 Ca -0.22 1.13 0.08 0.00 1.01 0.00 0.00 58.87 60.86 2jkx n SER 367 Cb 0.52 -1.43 0.22 0.00 -1.01 0.00 0.00 64.21 62.50 2jkx n SER 367 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jkx n ALA 368 N 2.31 2.71 0.00 -0.43 0.00 -0.13 -4.76 120.51 120.21 2jkx n ALA 368 Ca 0.13 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.56 2jkx n ALA 368 Cb 0.31 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2jkx n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jkx n GLY 369 N -0.33 -0.96 3.82 0.00 0.00 -1.24 -3.98 105.19 102.49 2jkx n GLY 369 Ca 0.18 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 2jkx n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkx s LYS 370 N -1.23 4.08 0.05 1.61 1.02 -1.26 -1.03 119.74 122.98 2jkx s LYS 370 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 2jkx s LYS 370 Cb 0.00 -3.24 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 2jkx s LYS 370 CO 0.00 0.63 1.78 0.50 -0.92 0.00 0.00 175.35 177.33 2jkx s ARG 371 N -0.97 4.17 0.26 1.68 3.52 -0.08 -4.91 118.95 122.61 2jkx s ARG 371 Ca 0.26 2.44 -0.20 0.00 -0.13 0.00 0.00 55.73 58.11 2jkx s ARG 371 Cb -0.18 -3.82 0.07 0.00 -1.56 0.00 0.00 34.95 29.46 2jkx s ARG 371 CO 0.16 -0.84 0.96 1.14 -0.81 0.00 0.00 175.30 175.91 2jkx s GLN 372 N 3.40 1.64 0.15 5.12 -2.07 -1.26 -1.08 119.66 125.55 2jkx s GLN 372 Ca 0.79 -1.06 -0.12 0.00 -1.82 0.00 0.00 55.36 53.15 2jkx s GLN 372 Cb -0.41 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.01 2jkx s GLN 372 CO 0.35 -0.77 0.60 -1.13 -1.32 0.00 0.00 175.29 173.02 2jkx n SER 373 N -1.34 -1.15 0.00 12.60 3.41 -0.80 -3.92 113.62 122.42 2jkx n SER 373 Ca -0.05 -1.66 0.03 0.00 -0.26 0.00 0.00 58.87 56.93 2jkx n SER 373 Cb 0.59 1.89 0.12 0.00 -0.26 0.00 0.00 64.21 66.55 2jkx n SER 373 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2jkx n ASN 374 N -1.10 0.00 0.00 4.04 0.23 -1.26 -0.89 115.26 116.29 2jkx n ASN 374 Ca -0.02 0.49 0.13 0.00 -0.53 0.00 0.00 54.58 54.65 2jkx n ASN 374 Cb 0.36 -0.49 0.51 0.00 -2.08 0.00 0.00 39.78 38.08 2jkx n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jkx n ARG 375 N -1.49 0.00 0.00 -3.83 1.74 -1.26 -5.05 116.66 106.78 2jkx n ARG 375 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2jkx n ARG 375 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2jkx n ARG 375 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jkx n GLY 376 N 1.50 0.83 3.71 -0.13 0.00 -0.07 -5.03 105.19 106.01 2jkx n GLY 376 Ca 0.07 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 2jkx n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkx s VAL 377 N -0.91 4.47 0.18 1.61 1.01 -1.26 -1.90 120.40 123.60 2jkx s VAL 377 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2jkx s VAL 377 Cb 0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2jkx s VAL 377 CO 0.00 0.15 1.31 0.00 0.00 0.00 0.00 175.10 176.56 2jkx s ALA 378 N 0.97 3.52 0.84 5.51 0.00 -0.24 -4.97 121.76 127.38 2jkx s ALA 378 Ca 0.55 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 2jkx s ALA 378 Cb -0.25 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.48 2jkx s ALA 378 CO 0.29 -0.53 1.10 -1.25 0.00 0.00 0.00 175.76 175.36 2jkx s PRO 379 N 0.08 1.75 0.23 0.00 0.04 -1.26 -4.54 135.00 131.31 2jkx s PRO 379 Ca 0.58 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 2jkx s PRO 379 Cb -0.36 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.15 2jkx s PRO 379 CO 0.37 -1.86 0.95 -0.25 0.04 0.00 0.00 177.00 176.25 2jkx n ASP 380 N -3.60 0.76 -3.14 6.66 8.00 -1.26 -4.59 116.55 119.38 2jkx n ASP 380 Ca 0.07 1.16 -0.22 0.00 0.71 0.00 0.00 54.79 56.51 2jkx n ASP 380 Cb 0.56 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 40.43 2jkx n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jkx n ALA 381 N 0.54 3.01 -1.71 2.24 0.00 -0.03 -3.15 120.51 121.40 2jkx n ALA 381 Ca 0.13 -3.89 -0.43 0.00 0.00 0.00 0.00 53.44 49.25 2jkx n ALA 381 Cb 0.28 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2jkx n ALA 381 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2jkx n MET 382 N 0.35 2.45 -1.25 0.00 1.56 0.63 -0.91 117.12 119.95 2jkx n MET 382 Ca 0.27 0.88 -0.09 0.00 -0.27 0.00 0.00 57.70 58.48 2jkx n MET 382 Cb 0.54 -2.64 -0.04 0.00 2.15 0.00 0.00 33.22 33.24 2jkx n MET 382 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jkx s GLY 384 N -2.39 1.86 0.20 0.00 0.00 -0.09 -3.76 107.32 103.14 2jkx s GLY 384 Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 44.72 45.34 2jkx s GLY 384 CO 0.00 0.94 0.09 -1.31 0.00 0.00 0.00 173.10 172.82 2jkx s ASN 385 N -2.75 5.16 -0.03 1.64 0.02 -0.48 -4.89 114.94 113.61 2jkx s ASN 385 Ca 0.67 -0.31 -0.01 0.00 -1.02 0.00 0.00 52.86 52.19 2jkx s ASN 385 Cb -0.22 -1.22 0.03 0.00 0.02 0.00 0.00 41.25 39.86 2jkx s ASN 385 CO 0.53 0.04 0.06 0.00 0.02 0.00 0.00 177.10 177.76 2jkx s ALA 386 N -1.90 -0.02 -0.05 0.60 0.00 -1.26 -1.30 121.76 117.83 2jkx s ALA 386 Ca 0.30 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 2jkx s ALA 386 Cb -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2jkx s ALA 386 CO 0.22 -0.12 0.01 0.08 0.00 0.00 0.00 175.76 175.95 2jkx s VAL 387 N 1.04 0.22 -0.92 0.00 1.01 0.05 -4.85 120.40 116.95 2jkx s VAL 387 Ca -0.09 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2jkx s VAL 387 Cb -0.12 -0.37 0.14 0.00 0.00 0.00 0.00 36.38 36.03 2jkx s VAL 387 CO -0.04 0.20 1.08 -0.32 0.00 0.00 0.00 175.10 176.03 2jkx s MET 388 N 1.64 3.60 0.08 2.72 1.75 -1.26 -0.77 119.30 127.06 2jkx s MET 388 Ca -0.01 -1.85 0.26 0.00 -1.25 0.00 0.00 55.69 52.84 2jkx s MET 388 Cb -0.13 -4.85 0.64 0.00 2.84 0.00 0.00 34.83 33.33 2jkx s MET 388 CO -0.03 -1.71 1.54 2.48 -0.65 0.00 0.00 175.02 176.65 2jkx n TYR 389 N 6.23 0.36 -3.40 4.11 0.18 -0.87 -1.82 117.16 121.95 2jkx n TYR 389 Ca 0.23 0.11 -0.20 0.00 1.88 0.00 0.00 57.90 59.91 2jkx n TYR 389 Cb 0.49 -0.57 -0.09 0.00 -0.38 0.00 0.00 39.34 38.79 2jkx n TYR 389 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jkx s ASP 390 N -3.71 1.73 0.32 9.48 -1.08 -1.20 -4.41 116.67 117.81 2jkx s ASP 390 Ca 0.10 -1.47 0.14 0.00 -0.52 0.00 0.00 52.55 50.80 2jkx s ASP 390 Cb 0.15 0.33 0.50 0.00 -1.46 0.00 0.00 42.92 42.44 2jkx s ASP 390 CO 0.66 -0.31 1.66 0.00 0.52 0.00 0.00 175.17 177.70 2jkx h ALA 391 N 7.41 0.97 -0.76 3.66 0.00 -0.31 0.86 119.26 131.10 2jkx h ALA 391 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2jkx h ALA 391 Cb 1.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2jkx h ALA 391 CO 0.26 0.63 0.41 0.28 0.00 0.00 0.00 179.25 180.83 2jkx h VAL 392 N 0.00 1.23 -0.43 0.00 2.07 -1.92 -2.67 116.25 114.53 2jkx h VAL 392 Ca -0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2jkx h VAL 392 Cb 1.01 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jkx h VAL 392 CO 0.07 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.20 2jkx n LYS 393 N -4.44 2.38 -1.98 1.57 4.76 -1.09 -4.95 118.16 114.42 2jkx n LYS 393 Ca 0.07 -2.10 -0.11 0.00 -2.87 0.00 0.00 58.31 53.30 2jkx n LYS 393 Cb 0.10 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 2jkx n LYS 393 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jkx n GLY 394 N 1.45 0.26 3.66 0.72 0.00 -0.59 -4.42 105.19 106.26 2jkx n GLY 394 Ca 0.19 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 2jkx n GLY 394 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkx s LYS 395 N -4.12 4.17 -0.11 1.61 -0.14 0.20 -0.26 119.74 121.09 2jkx s LYS 395 Ca 0.00 0.39 0.03 0.00 -1.36 0.00 0.00 55.97 55.03 2jkx s LYS 395 Cb 0.00 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 2jkx s LYS 395 CO 0.00 -0.17 -0.22 0.42 -0.76 0.00 0.00 175.35 174.61 2jkx s ILE 396 N 1.71 1.98 -0.23 2.17 1.01 -0.18 -2.04 121.20 125.62 2jkx s ILE 396 Ca 0.23 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 2jkx s ILE 396 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2jkx s ILE 396 CO 0.09 0.54 0.13 -0.22 0.00 0.00 0.00 174.94 175.48 2jkx s LEU 397 N 0.48 3.93 0.11 2.97 2.96 0.05 -0.65 118.68 128.55 2jkx s LEU 397 Ca -0.16 0.04 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 2jkx s LEU 397 Cb -0.17 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2jkx s LEU 397 CO 0.06 0.06 -0.22 0.42 -1.32 0.00 0.00 176.35 175.35 2jkx s THR 398 N 1.09 2.56 -0.22 3.68 -4.23 -0.27 -0.77 115.64 117.48 2jkx s THR 398 Ca 0.06 -1.57 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 2jkx s THR 398 Cb -0.14 -2.14 0.10 0.00 1.34 0.00 0.00 72.50 71.67 2jkx s THR 398 CO 0.04 0.13 0.90 0.72 -0.54 0.00 0.00 174.62 175.88 2jkx s PHE 399 N -1.07 -0.55 0.00 3.99 -0.71 -0.42 -0.97 117.98 118.25 2jkx s PHE 399 Ca 0.16 1.22 0.00 0.00 -1.04 0.00 0.00 56.93 57.27 2jkx s PHE 399 Cb -0.10 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 2jkx s PHE 399 CO 0.07 -0.34 0.00 0.41 -1.34 0.00 0.00 175.22 174.02 2jkx n GLY 400 N 1.83 -0.83 0.00 1.99 0.00 -0.15 -1.39 105.19 106.65 2jkx n GLY 400 Ca -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2jkx n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 401 N 0.00 -1.20 3.11 -0.02 0.00 0.53 -4.29 105.19 103.32 2jkx n GLY 401 Ca 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 2jkx n GLY 401 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jkx s SER 402 N -2.24 0.35 0.41 1.61 1.04 -0.64 -1.60 113.70 112.63 2jkx s SER 402 Ca 0.00 -0.83 0.09 0.00 0.48 0.00 0.00 55.95 55.69 2jkx s SER 402 Cb 0.00 0.23 0.86 0.00 0.10 0.00 0.00 66.02 67.21 2jkx s SER 402 CO 0.00 -0.60 1.99 -0.65 0.98 0.00 0.00 173.24 174.96 2jkx h PRO 403 N 3.20 0.32 -6.59 4.02 0.11 -1.75 0.18 132.00 131.50 2jkx h PRO 403 Ca -0.34 -0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.08 2jkx h PRO 403 Cb 1.16 -0.06 -0.18 0.00 0.11 0.00 0.00 31.00 32.04 2jkx h PRO 403 CO 0.60 0.33 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.42 2jkx s ASP 404 N -6.84 3.65 0.21 -2.05 1.01 -1.26 -4.46 116.67 106.93 2jkx s ASP 404 Ca -0.06 -0.78 -0.09 0.00 0.71 0.00 0.00 52.55 52.33 2jkx s ASP 404 Cb 0.16 -0.38 0.27 0.00 1.01 0.00 0.00 42.92 43.99 2jkx s ASP 404 CO 0.73 0.12 1.77 0.22 0.21 0.00 0.00 175.17 178.22 2jkx h TYR 405 N 3.17 0.53 -4.30 4.23 5.03 -1.90 -3.42 116.97 120.30 2jkx h TYR 405 Ca -0.47 0.03 -0.22 0.00 2.58 0.00 0.00 58.73 60.65 2jkx h TYR 405 Cb 1.20 -0.14 -0.15 0.00 1.55 0.00 0.00 36.73 39.19 2jkx h TYR 405 CO 0.67 0.19 -0.64 1.14 -1.32 0.00 0.00 178.16 178.20 2jkx s GLN 406 N -6.09 1.04 -1.48 1.82 -2.07 -1.26 -4.81 119.66 106.82 2jkx s GLN 406 Ca -0.13 -1.51 -0.07 0.00 -1.82 0.00 0.00 55.36 51.83 2jkx s GLN 406 Cb 0.17 0.13 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2jkx s GLN 406 CO 0.75 -0.27 0.83 -0.25 -1.32 0.00 0.00 175.29 175.04 2jkx n ASP 407 N -0.18 -6.04 -3.83 12.60 8.00 0.49 -4.98 116.55 122.61 2jkx n ASP 407 Ca -0.04 -0.41 -0.13 0.00 0.71 0.00 0.00 54.79 54.92 2jkx n ASP 407 Cb 0.64 -4.83 -0.15 0.00 -0.02 0.00 0.00 41.12 36.76 2jkx n ASP 407 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jkx s SER 408 N -2.96 0.02 0.08 -2.24 0.15 -1.26 -4.99 113.70 102.50 2jkx s SER 408 Ca 0.43 0.03 -0.31 0.00 0.70 0.00 0.00 55.95 56.81 2jkx s SER 408 Cb -0.20 -0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.04 2jkx s SER 408 CO 0.54 -0.05 1.30 -1.81 1.20 0.00 0.00 173.24 174.41 2jkx s ASP 409 N 0.42 6.95 0.90 5.45 1.11 -1.26 -2.23 116.67 128.01 2jkx s ASP 409 Ca -0.03 2.16 -0.12 0.00 0.18 0.00 0.00 52.55 54.74 2jkx s ASP 409 Cb -0.05 -2.58 0.13 0.00 1.07 0.00 0.00 42.92 41.49 2jkx s ASP 409 CO -0.01 -0.57 1.10 0.00 1.18 0.00 0.00 175.17 176.87 2jkx s ALA 410 N 1.17 1.59 0.39 5.23 0.00 0.15 -4.39 121.76 125.90 2jkx s ALA 410 Ca 0.62 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.45 2jkx s ALA 410 Cb -0.33 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2jkx s ALA 410 CO 0.29 -2.31 0.03 0.95 0.00 0.00 0.00 175.76 174.72 2jkx s THR 411 N -3.01 1.63 -2.33 0.00 -4.23 -0.63 -4.74 115.64 102.33 2jkx s THR 411 Ca 0.63 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.35 2jkx s THR 411 Cb -0.17 -2.86 0.44 0.00 1.34 0.00 0.00 72.50 71.24 2jkx s THR 411 CO 0.56 0.00 1.47 0.35 -0.54 0.00 0.00 174.62 176.46 2jkx n THR 412 N -0.89 0.36 -1.70 3.99 -2.24 -1.26 -3.33 114.28 109.21 2jkx n THR 412 Ca -0.05 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 2jkx n THR 412 Cb 0.67 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 2jkx n THR 412 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkx n ASN 413 N 0.82 2.79 -3.72 3.42 3.02 -1.26 -0.58 115.26 119.76 2jkx n ASN 413 Ca 0.17 1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 55.79 2jkx n ASN 413 Cb 0.44 -1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.03 2jkx n ASN 413 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jkx s ALA 414 N -0.93 -1.09 0.09 5.41 0.00 -1.26 -0.98 121.76 123.00 2jkx s ALA 414 Ca 0.57 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.90 2jkx s ALA 414 Cb -0.58 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2jkx s ALA 414 CO 0.60 -0.22 -0.12 -1.01 0.00 0.00 0.00 175.76 175.01 2jkx s HIS 415 N 0.51 1.13 -0.24 0.00 3.76 -0.15 -0.63 115.29 119.68 2jkx s HIS 415 Ca -0.02 -0.56 -0.07 0.00 -0.15 0.00 0.00 55.06 54.26 2jkx s HIS 415 Cb -0.04 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 2jkx s HIS 415 CO -0.03 0.04 0.05 0.42 -0.85 0.00 0.00 174.74 174.37 2jkx s ILE 416 N -1.91 4.21 -0.13 0.60 1.01 -0.03 -1.11 121.20 123.84 2jkx s ILE 416 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 2jkx s ILE 416 Cb -0.06 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2jkx s ILE 416 CO 0.01 0.36 -0.02 -0.63 0.00 0.00 0.00 174.94 174.66 2jkx s ILE 417 N 1.48 4.04 -0.31 2.92 1.01 0.18 -1.68 121.20 128.85 2jkx s ILE 417 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2jkx s ILE 417 Cb -0.15 -2.74 0.07 0.00 0.01 0.00 0.00 42.46 39.65 2jkx s ILE 417 CO 0.03 0.53 -0.01 -0.89 0.00 0.00 0.00 174.94 174.61 2jkx s THR 418 N -0.12 2.59 0.13 2.92 2.01 -0.30 -1.01 115.64 121.85 2jkx s THR 418 Ca 0.03 -1.74 -0.30 0.00 0.31 0.00 0.00 61.69 59.99 2jkx s THR 418 Cb -0.13 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 2jkx s THR 418 CO 0.02 -0.24 1.00 -0.76 -0.69 0.00 0.00 174.62 173.95 2jkx s LEU 419 N 1.12 4.50 0.00 4.42 1.43 0.64 -3.45 118.68 127.34 2jkx s LEU 419 Ca -0.02 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2jkx s LEU 419 Cb -0.20 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2jkx s LEU 419 CO -0.04 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2jkx n GLY 420 N 2.19 1.75 3.81 -3.19 0.00 -1.26 -4.37 105.19 104.11 2jkx n GLY 420 Ca 0.02 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 2jkx n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkx s GLU 421 N 4.21 4.30 0.49 1.61 0.41 -1.26 -4.98 118.70 123.49 2jkx s GLU 421 Ca 0.00 1.20 -0.24 0.00 -0.41 0.00 0.00 54.97 55.53 2jkx s GLU 421 Cb 0.00 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.92 2jkx s GLU 421 CO 0.00 0.03 1.34 -2.30 -0.49 0.00 0.00 175.26 173.84 2jkx n PRO 422 N -0.31 1.88 -0.04 0.39 -0.02 -1.26 -2.07 135.00 133.57 2jkx n PRO 422 Ca 0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2jkx n PRO 422 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2jkx n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkx n GLY 423 N 0.74 1.54 3.91 -1.23 0.00 -1.26 -5.05 105.19 103.84 2jkx n GLY 423 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2jkx n GLY 423 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkx s THR 424 N -2.58 5.42 -0.34 2.61 -4.23 -0.88 -5.02 115.64 110.62 2jkx s THR 424 Ca 0.00 -0.24 -0.26 0.00 -1.18 0.00 0.00 61.69 60.01 2jkx s THR 424 Cb 0.00 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.28 2jkx s THR 424 CO 0.00 0.26 0.95 -0.44 -0.54 0.00 0.00 174.62 174.86 2jkx s SER 425 N -2.13 6.77 0.60 3.99 0.01 -1.26 -4.87 113.70 116.80 2jkx s SER 425 Ca 0.30 0.77 -0.18 0.00 1.31 0.00 0.00 55.95 58.15 2jkx s SER 425 Cb -0.13 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2jkx s SER 425 CO 0.22 -0.82 1.13 -2.16 0.41 0.00 0.00 173.24 172.03 2jkx s PRO 426 N 3.43 3.08 0.38 12.44 0.04 -1.26 -4.99 135.00 148.13 2jkx s PRO 426 Ca 0.40 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 2jkx s PRO 426 Cb -0.12 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2jkx s PRO 426 CO 0.16 -1.06 1.27 1.21 0.04 0.00 0.00 177.00 178.62 2jkx s ASN 427 N -2.04 6.51 -0.02 6.66 3.84 -1.22 -4.85 114.94 123.82 2jkx s ASN 427 Ca 0.71 2.59 0.01 0.00 0.21 0.00 0.00 52.86 56.39 2jkx s ASN 427 Cb -0.24 -2.64 0.01 0.00 -0.55 0.00 0.00 41.25 37.84 2jkx s ASN 427 CO 0.33 -0.71 -0.03 0.42 -2.79 0.00 0.00 177.10 174.32 2jkx s THR 428 N -1.25 0.35 0.20 -5.21 -4.23 -1.26 -1.15 115.64 103.08 2jkx s THR 428 Ca 0.54 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2jkx s THR 428 Cb -0.37 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 2jkx s THR 428 CO 0.48 0.14 0.03 0.68 -0.54 0.00 0.00 174.62 175.40 2jkx s VAL 429 N 0.37 0.65 0.35 2.29 -7.23 -0.67 -4.55 120.40 111.61 2jkx s VAL 429 Ca -0.04 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 2jkx s VAL 429 Cb -0.07 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 2jkx s VAL 429 CO -0.00 -0.35 1.00 0.12 -0.31 0.00 0.00 175.10 175.56 2jkx s PHE 430 N -3.68 3.51 -0.45 2.82 5.36 -1.26 -0.85 117.98 123.42 2jkx s PHE 430 Ca 0.28 1.72 -0.23 0.00 -0.96 0.00 0.00 56.93 57.73 2jkx s PHE 430 Cb 0.06 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 2jkx s PHE 430 CO 0.07 -0.21 0.79 0.00 -1.46 0.00 0.00 175.22 174.40 2jkx s ALA 431 N -1.58 3.29 0.00 11.12 0.00 0.20 -4.62 121.76 130.16 2jkx s ALA 431 Ca 0.53 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2jkx s ALA 431 Cb -0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2jkx s ALA 431 CO 0.27 -1.94 0.00 0.45 0.00 0.00 0.00 175.76 174.55 2jkx n SER 432 N 6.73 0.00 -1.39 0.00 2.88 -1.26 -0.77 113.62 119.82 2jkx n SER 432 Ca 0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.64 2jkx n SER 432 Cb 0.48 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.27 2jkx n SER 432 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jkx n ASN 433 N 2.74 4.79 0.00 -3.46 5.15 -1.26 -5.09 115.26 118.12 2jkx n ASN 433 Ca 0.00 -2.94 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 2jkx n ASN 433 Cb 0.00 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 2jkx n ASN 433 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkx n GLY 434 N 0.11 -2.58 3.76 8.20 0.00 0.05 -4.93 105.19 109.80 2jkx n GLY 434 Ca 0.24 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2jkx n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkx s LEU 435 N 0.00 3.82 0.21 0.99 1.43 0.26 -4.88 118.68 120.51 2jkx s LEU 435 Ca 0.00 2.43 -0.09 0.00 -1.03 0.00 0.00 54.13 55.44 2jkx s LEU 435 Cb 0.00 -4.42 0.25 0.00 0.03 0.00 0.00 46.19 42.05 2jkx s LEU 435 CO 0.00 -1.36 1.82 1.88 0.23 0.00 0.00 176.35 178.92 2jkx h TYR 436 N 1.39 0.73 -3.32 0.29 0.05 -1.91 -3.43 116.97 110.76 2jkx h TYR 436 Ca -0.50 0.02 -0.55 0.00 0.05 0.00 0.00 58.73 57.75 2jkx h TYR 436 Cb 1.28 -0.23 -0.34 0.00 1.01 0.00 0.00 36.73 38.45 2jkx h TYR 436 CO 0.49 0.36 -0.82 -0.06 -1.05 0.00 0.00 178.16 177.07 2jkx s PHE 437 N -6.09 1.70 0.23 4.88 0.08 -1.26 -5.07 117.98 112.44 2jkx s PHE 437 Ca -0.13 -0.74 -0.31 0.00 0.12 0.00 0.00 56.93 55.87 2jkx s PHE 437 Cb 0.16 -1.26 -0.11 0.00 -0.57 0.00 0.00 43.02 41.25 2jkx s PHE 437 CO 0.76 -0.40 1.56 0.00 -0.10 0.00 0.00 175.22 177.05 2jkx s ALA 438 N 0.96 3.75 -0.07 5.36 0.00 -1.26 -4.79 121.76 125.70 2jkx s ALA 438 Ca -0.08 1.45 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 2jkx s ALA 438 Cb -0.15 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2jkx s ALA 438 CO -0.00 -0.85 0.42 -0.98 0.00 0.00 0.00 175.76 174.35 2jkx s ARG 439 N 0.28 0.70 0.16 0.00 1.70 -1.21 -4.02 118.95 116.55 2jkx s ARG 439 Ca 0.66 0.14 0.06 0.00 -0.47 0.00 0.00 55.73 56.12 2jkx s ARG 439 Cb -0.45 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.21 2jkx s ARG 439 CO 0.39 -0.17 -0.13 -0.08 -1.08 0.00 0.00 175.30 174.23 2jkx s THR 440 N -0.82 1.39 0.00 4.99 -1.32 -0.17 -0.35 115.64 119.35 2jkx s THR 440 Ca -0.09 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.40 2jkx s THR 440 Cb -0.04 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2jkx s THR 440 CO 0.04 -0.60 0.00 0.49 -2.21 0.00 0.00 174.62 172.35 2jkx n PHE 441 N -0.01 0.00 -1.02 9.09 3.72 -1.25 -1.17 117.46 126.81 2jkx n PHE 441 Ca -0.11 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.99 2jkx n PHE 441 Cb 0.59 -0.92 0.17 0.00 -0.94 0.00 0.00 39.48 38.38 2jkx n PHE 441 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2jkx s HIS 442 N -1.81 2.03 0.21 1.38 -3.43 -1.26 -4.21 115.29 108.19 2jkx s HIS 442 Ca 0.00 1.26 0.03 0.00 -0.80 0.00 0.00 55.06 55.54 2jkx s HIS 442 Cb 0.00 -3.18 -0.05 0.00 -1.43 0.00 0.00 32.58 27.92 2jkx s HIS 442 CO 0.00 -2.80 0.00 0.95 -2.00 0.00 0.00 174.74 170.89 2jkx s THR 443 N -2.82 0.88 0.00 -5.38 -4.23 -0.37 -4.66 115.64 99.06 2jkx s THR 443 Ca 0.65 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.86 2jkx s THR 443 Cb -0.20 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.45 2jkx s THR 443 CO 0.59 -0.37 0.65 -0.94 -0.54 0.00 0.00 174.62 174.00 2jkx s SER 444 N -3.25 -0.62 0.01 3.99 1.04 -1.26 -0.55 113.70 113.07 2jkx s SER 444 Ca 0.27 0.52 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 2jkx s SER 444 Cb 0.06 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 2jkx s SER 444 CO 0.07 -0.69 0.00 0.68 0.98 0.00 0.00 173.24 174.29 2jkx s VAL 445 N -1.80 0.09 0.02 5.02 -7.23 -0.48 -4.88 120.40 111.15 2jkx s VAL 445 Ca -0.08 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 2jkx s VAL 445 Cb -0.00 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 2jkx s VAL 445 CO 0.04 -0.43 0.90 0.54 -0.31 0.00 0.00 175.10 175.84 2jkx s VAL 446 N -1.30 4.79 0.42 1.32 0.11 -1.26 -0.74 120.40 123.74 2jkx s VAL 446 Ca -0.14 1.90 -0.02 0.00 -2.93 0.00 0.00 61.98 60.78 2jkx s VAL 446 Cb -0.09 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.49 2jkx s VAL 446 CO -0.00 0.24 0.67 -0.76 -3.33 0.00 0.00 175.10 171.91 2jkx s LEU 447 N 0.58 3.80 0.42 2.54 1.43 -0.07 -4.91 118.68 122.47 2jkx s LEU 447 Ca 0.46 0.64 0.21 0.00 -1.03 0.00 0.00 54.13 54.41 2jkx s LEU 447 Cb -0.21 -3.54 1.16 0.00 0.03 0.00 0.00 46.19 43.64 2jkx s LEU 447 CO 0.26 -0.47 1.79 -0.65 0.23 0.00 0.00 176.35 177.51 2jkx h PRO 448 N 0.48 0.33 -0.14 1.29 0.11 -1.92 0.00 132.00 132.15 2jkx h PRO 448 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jkx h PRO 448 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jkx h PRO 448 CO 0.61 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 2jkx n ASP 449 N -4.55 0.89 0.00 -2.05 5.68 -1.26 -4.66 116.55 110.60 2jkx n ASP 449 Ca 0.24 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 2jkx n ASP 449 Cb 0.89 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 2jkx n ASP 449 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jkx n GLY 450 N 0.85 1.41 3.80 6.12 0.00 -0.01 -4.98 105.19 112.38 2jkx n GLY 450 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2jkx n GLY 450 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jkx s SER 451 N -3.21 5.20 -0.17 1.61 1.04 -1.26 -4.63 113.70 112.29 2jkx s SER 451 Ca 0.00 1.70 -0.00 0.00 0.48 0.00 0.00 55.95 58.13 2jkx s SER 451 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2jkx s SER 451 CO 0.00 -1.56 -0.15 -0.89 0.98 0.00 0.00 173.24 171.62 2jkx s THR 452 N -2.92 2.65 -0.16 2.02 2.01 -0.43 -0.89 115.64 117.91 2jkx s THR 452 Ca 0.60 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 2jkx s THR 452 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2jkx s THR 452 CO 0.53 0.51 0.45 0.12 -0.69 0.00 0.00 174.62 175.53 2jkx s PHE 453 N 0.99 3.45 -0.10 4.92 5.36 0.08 -1.15 117.98 131.53 2jkx s PHE 453 Ca -0.02 0.77 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 2jkx s PHE 453 Cb -0.15 -2.55 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2jkx s PHE 453 CO -0.03 0.08 -0.14 0.42 -1.46 0.00 0.00 175.22 174.09 2jkx s ILE 454 N 0.96 1.40 -0.05 3.12 1.01 0.46 -1.38 121.20 126.73 2jkx s ILE 454 Ca 0.23 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2jkx s ILE 454 Cb -0.15 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.05 2jkx s ILE 454 CO 0.09 0.42 0.21 0.28 0.00 0.00 0.00 174.94 175.94 2jkx s THR 455 N 1.02 0.04 0.00 2.92 -1.32 0.29 -1.18 115.64 117.40 2jkx s THR 455 Ca -0.06 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2jkx s THR 455 Cb -0.15 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2jkx s THR 455 CO -0.02 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2jkx n GLY 456 N 2.23 -0.46 0.00 6.08 0.00 -1.26 -1.24 105.19 110.54 2jkx n GLY 456 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2jkx n GLY 456 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 457 N 0.00 -0.37 3.11 -0.02 0.00 0.11 -4.52 105.19 103.50 2jkx n GLY 457 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 2jkx n GLY 457 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jkx s GLN 458 N -1.47 0.65 0.24 1.61 -2.07 -0.32 -1.49 119.66 116.81 2jkx s GLN 458 Ca 0.00 -1.14 0.03 0.00 -1.82 0.00 0.00 55.36 52.43 2jkx s GLN 458 Cb 0.00 0.23 0.26 0.00 -1.09 0.00 0.00 33.01 32.41 2jkx s GLN 458 CO 0.00 -0.14 1.58 -0.09 -1.32 0.00 0.00 175.29 175.32 2jkx h ARG 459 N 3.12 0.32 -4.50 9.60 2.43 -1.27 -0.43 114.38 123.64 2jkx h ARG 459 Ca -0.34 -0.20 -0.57 0.00 -0.81 0.00 0.00 59.98 58.06 2jkx h ARG 459 Cb 1.15 0.02 -0.36 0.00 -0.42 0.00 0.00 29.97 30.36 2jkx h ARG 459 CO 0.63 0.78 -0.82 0.50 -1.51 0.00 0.00 179.97 179.55 2jkx s ARG 460 N -3.90 2.00 -0.33 0.20 3.52 -1.26 0.31 118.95 119.49 2jkx s ARG 460 Ca -0.05 -0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 54.83 2jkx s ARG 460 Cb 0.12 -1.90 -0.02 0.00 -1.56 0.00 0.00 34.95 31.59 2jkx s ARG 460 CO 0.80 -0.24 1.84 0.20 -0.81 0.00 0.00 175.30 177.09 2jkx s GLY 461 N 1.54 0.74 -0.42 8.12 0.00 -0.95 -4.91 107.32 111.45 2jkx s GLY 461 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.06 2jkx s GLY 461 CO -0.09 3.32 0.28 -0.42 0.00 0.00 0.00 173.10 176.19 2jkx s ILE 462 N 7.12 0.72 0.15 0.90 1.01 -1.26 -0.38 121.20 129.45 2jkx s ILE 462 Ca 0.81 -2.41 -0.33 0.00 0.00 0.00 0.00 60.65 58.73 2jkx s ILE 462 Cb -0.23 -1.51 -0.17 0.00 0.01 0.00 0.00 42.46 40.57 2jkx s ILE 462 CO 0.33 -1.05 0.97 -2.65 0.00 0.00 0.00 174.94 172.55 2jkx n PRO 463 N 3.39 0.65 -0.88 2.79 -0.02 -1.26 -1.58 135.00 138.09 2jkx n PRO 463 Ca 0.17 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2jkx n PRO 463 Cb 0.40 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2jkx n PRO 463 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jkx n PHE 464 N 1.03 0.00 -4.77 6.00 3.72 -1.26 -4.99 117.46 117.18 2jkx n PHE 464 Ca 0.16 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.23 2jkx n PHE 464 Cb 0.22 -0.29 -0.13 0.00 -0.94 0.00 0.00 39.48 38.33 2jkx n PHE 464 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2jkx s GLU 465 N -0.19 3.02 -0.34 -1.08 2.12 -0.61 -4.71 118.70 116.90 2jkx s GLU 465 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2jkx s GLU 465 Cb 0.00 -2.56 0.33 0.00 0.26 0.00 0.00 34.13 32.16 2jkx s GLU 465 CO 0.00 0.41 1.81 -0.25 -0.54 0.00 0.00 175.26 176.70 2jkx n ASP 466 N 2.94 5.29 -4.92 -1.70 8.00 -1.26 -4.78 116.55 120.13 2jkx n ASP 466 Ca -0.18 -3.12 -0.27 0.00 0.71 0.00 0.00 54.79 51.94 2jkx n ASP 466 Cb 0.53 -0.89 0.03 0.00 -0.02 0.00 0.00 41.12 40.76 2jkx n ASP 466 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jkx s SER 467 N -0.34 5.61 -1.34 -2.24 1.04 -1.26 -4.24 113.70 110.94 2jkx s SER 467 Ca 0.37 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 2jkx s SER 467 Cb 0.30 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.82 2jkx s SER 467 CO 0.03 -1.04 0.28 0.35 0.98 0.00 0.00 173.24 173.84 2jkx n THR 468 N -2.56 -0.28 -2.20 2.02 -2.24 -1.26 -4.66 114.28 103.10 2jkx n THR 468 Ca 0.04 -0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 2jkx n THR 468 Cb 0.57 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2jkx n THR 468 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jkx s PRO 469 N -5.96 3.33 -0.30 -0.78 0.04 -1.26 -1.16 135.00 128.92 2jkx s PRO 469 Ca 0.40 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2jkx s PRO 469 Cb -0.23 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2jkx s PRO 469 CO 0.77 -0.84 0.10 0.08 0.04 0.00 0.00 177.00 177.15 2jkx s VAL 470 N -1.99 4.11 -0.92 -0.36 1.01 -0.55 -4.87 120.40 116.82 2jkx s VAL 470 Ca 0.70 -0.66 0.22 0.00 0.00 0.00 0.00 61.98 62.24 2jkx s VAL 470 Cb -0.21 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.90 2jkx s VAL 470 CO 0.29 0.06 1.06 0.49 0.00 0.00 0.00 175.10 177.00 2jkx n PHE 471 N 4.89 0.03 -3.56 5.22 3.72 -1.26 -4.06 117.46 122.44 2jkx n PHE 471 Ca -0.14 0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 56.86 2jkx n PHE 471 Cb 0.48 -0.15 -0.11 0.00 -0.94 0.00 0.00 39.48 38.77 2jkx n PHE 471 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2jkx s THR 472 N -3.04 5.02 0.81 4.37 2.01 -1.26 -0.78 115.64 122.77 2jkx s THR 472 Ca 0.08 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 2jkx s THR 472 Cb 0.16 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 69.12 2jkx s THR 472 CO 0.81 -0.06 1.11 -2.16 -0.69 0.00 0.00 174.62 173.63 2jkx s PRO 473 N 1.67 1.96 0.07 4.92 0.04 -1.26 -4.80 135.00 137.61 2jkx s PRO 473 Ca 0.05 0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.65 2jkx s PRO 473 Cb -0.18 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2jkx s PRO 473 CO 0.09 -1.68 -0.13 -1.21 0.04 0.00 0.00 177.00 174.11 2jkx s GLU 474 N -5.23 0.79 -0.10 4.56 2.02 -0.33 -1.08 118.70 119.33 2jkx s GLU 474 Ca 0.61 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.68 2jkx s GLU 474 Cb -0.14 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.37 2jkx s GLU 474 CO 0.53 0.15 -0.18 0.42 0.02 0.00 0.00 175.26 176.20 2jkx s ILE 475 N -1.42 1.69 -0.17 -1.63 1.01 0.21 -0.40 121.20 120.50 2jkx s ILE 475 Ca -0.02 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.65 2jkx s ILE 475 Cb -0.09 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2jkx s ILE 475 CO 0.02 0.48 0.55 -0.47 0.00 0.00 0.00 174.94 175.52 2jkx s TYR 476 N 0.68 3.43 -0.41 3.97 5.04 -0.30 -0.30 117.35 129.45 2jkx s TYR 476 Ca -0.12 0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 55.32 2jkx s TYR 476 Cb -0.16 -2.68 0.09 0.00 0.35 0.00 0.00 41.96 39.56 2jkx s TYR 476 CO 0.03 -0.03 0.24 0.08 -1.34 0.00 0.00 175.55 174.52 2jkx s VAL 477 N 1.38 3.88 0.31 3.14 1.01 -0.27 -1.32 120.40 128.52 2jkx s VAL 477 Ca 0.27 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 2jkx s VAL 477 Cb -0.16 -3.46 0.24 0.00 0.00 0.00 0.00 36.38 33.01 2jkx s VAL 477 CO 0.11 -0.56 1.95 -0.65 0.00 0.00 0.00 175.10 175.95 2jkx h PRO 478 N 8.29 0.99 0.00 2.72 0.11 -1.86 -1.26 132.00 140.98 2jkx h PRO 478 Ca -0.20 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 2jkx h PRO 478 Cb 1.07 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2jkx h PRO 478 CO 0.74 0.69 -0.13 1.49 -0.21 0.00 0.00 178.00 180.58 2jkx h GLU 479 N 1.01 0.00 -0.01 1.05 4.81 -1.96 -1.67 114.58 117.82 2jkx h GLU 479 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2jkx h GLU 479 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2jkx h GLU 479 CO -0.05 0.13 -0.71 1.04 -0.73 0.00 0.00 179.01 178.69 2jkx n GLN 480 N -3.98 0.51 -4.21 1.92 6.02 -0.83 -4.98 117.38 111.83 2jkx n GLN 480 Ca -0.02 -0.41 -0.36 0.00 -0.01 0.00 0.00 57.00 56.20 2jkx n GLN 480 Cb 0.22 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.93 2jkx n GLN 480 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2jkx n ASP 481 N -0.89 -0.87 -3.86 1.08 2.03 -0.54 -4.97 116.55 108.53 2jkx n ASP 481 Ca 0.07 -1.27 -0.13 0.00 0.52 0.00 0.00 54.79 53.98 2jkx n ASP 481 Cb 0.38 -1.73 -0.14 0.00 -0.72 0.00 0.00 41.12 38.91 2jkx n ASP 481 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jkx s THR 482 N -4.07 0.03 0.09 5.18 2.01 -1.16 -4.33 115.64 113.40 2jkx s THR 482 Ca 0.17 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 2jkx s THR 482 Cb -0.09 -0.06 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 2jkx s THR 482 CO 0.98 0.03 0.37 -0.36 -0.69 0.00 0.00 174.62 174.95 2jkx s PHE 483 N 0.17 3.53 -0.07 4.92 0.40 -1.26 -1.12 117.98 124.55 2jkx s PHE 483 Ca -0.01 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 2jkx s PHE 483 Cb -0.02 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.46 2jkx s PHE 483 CO -0.00 0.50 -0.11 0.71 0.70 0.00 0.00 175.22 177.02 2jkx s TYR 484 N -1.49 1.38 0.39 0.36 2.02 0.59 -4.94 117.35 115.66 2jkx s TYR 484 Ca 0.35 -0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 56.26 2jkx s TYR 484 Cb -0.13 -1.04 -0.09 0.00 -0.40 0.00 0.00 41.96 40.30 2jkx s TYR 484 CO 0.21 -0.30 1.31 0.15 -1.57 0.00 0.00 175.55 175.35 2jkx s LYS 485 N 0.83 4.04 0.48 -0.62 1.02 -1.26 -0.62 119.74 123.61 2jkx s LYS 485 Ca -0.12 2.18 0.06 0.00 0.02 0.00 0.00 55.97 58.11 2jkx s LYS 485 Cb -0.15 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2jkx s LYS 485 CO 0.02 -0.44 0.33 -0.65 -0.92 0.00 0.00 175.35 173.69 2jkx s GLN 486 N -2.16 2.31 0.31 1.68 -1.52 -0.24 -4.89 119.66 115.16 2jkx s GLN 486 Ca 0.55 -1.87 -0.29 0.00 -1.95 0.00 0.00 55.36 51.80 2jkx s GLN 486 Cb -0.39 -2.12 -0.11 0.00 -0.22 0.00 0.00 33.01 30.17 2jkx s GLN 486 CO 0.50 -0.37 1.54 -0.80 -0.25 0.00 0.00 175.29 175.91 2jkx s ASN 487 N -4.13 6.41 0.62 5.90 0.01 -0.30 -4.38 114.94 119.07 2jkx s ASN 487 Ca 0.38 2.93 -0.13 0.00 -0.71 0.00 0.00 52.86 55.34 2jkx s ASN 487 Cb -0.01 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 2jkx s ASN 487 CO 0.23 -0.87 1.04 -2.16 -1.51 0.00 0.00 177.10 173.82 2jkx s PRO 488 N -0.89 3.38 0.31 -0.60 0.04 -1.26 -4.50 135.00 131.47 2jkx s PRO 488 Ca 0.60 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2jkx s PRO 488 Cb -0.47 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.07 2jkx s PRO 488 CO 0.51 -0.75 0.33 0.27 0.04 0.00 0.00 177.00 177.41 2jkx n ASN 489 N -2.49 1.51 0.00 6.66 6.94 0.04 -4.85 115.26 123.07 2jkx n ASN 489 Ca 0.07 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 2jkx n ASN 489 Cb 0.54 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 2jkx n ASN 489 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2jkx n SER 490 N -2.30 0.72 -4.36 0.53 7.64 -1.26 -4.83 113.62 109.75 2jkx n SER 490 Ca 0.04 -0.88 -0.35 0.00 1.01 0.00 0.00 58.87 58.69 2jkx n SER 490 Cb 0.33 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.59 2jkx n SER 490 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2jkx s ILE 491 N -0.20 3.51 0.20 0.44 1.01 -1.26 -4.96 121.20 119.95 2jkx s ILE 491 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 2jkx s ILE 491 Cb 0.00 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.79 2jkx s ILE 491 CO 0.00 0.44 1.50 -0.69 0.00 0.00 0.00 174.94 176.18 2jkx s VAL 492 N 1.18 2.68 -0.45 2.92 1.01 -1.26 -4.98 120.40 121.50 2jkx s VAL 492 Ca 0.02 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2jkx s VAL 492 Cb -0.14 -3.34 0.13 0.00 0.00 0.00 0.00 36.38 33.03 2jkx s VAL 492 CO -0.01 0.06 0.24 -0.13 0.00 0.00 0.00 175.10 175.27 2jkx s ARG 493 N 0.40 1.40 0.00 2.72 1.81 -1.26 -4.91 118.95 119.11 2jkx s ARG 493 Ca 0.64 -2.11 0.00 0.00 -1.72 0.00 0.00 55.73 52.55 2jkx s ARG 493 Cb -0.42 -2.49 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 2jkx s ARG 493 CO 0.37 -1.15 0.00 1.33 -0.68 0.00 0.00 175.30 175.17 2jkx n VAL 494 N 3.47 0.00 -1.66 3.52 0.24 -1.26 0.09 118.33 122.73 2jkx n VAL 494 Ca 0.08 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.92 2jkx n VAL 494 Cb 0.34 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.67 2jkx n VAL 494 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jkx n TYR 495 N 0.00 2.17 -1.43 6.34 9.36 -1.26 -1.85 117.16 130.49 2jkx n TYR 495 Ca 0.00 0.35 -0.04 0.00 3.32 0.00 0.00 57.90 61.52 2jkx n TYR 495 Cb 0.00 -2.50 -0.01 0.00 -0.63 0.00 0.00 39.34 36.20 2jkx n TYR 495 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2jkx n HIS 496 N 2.95 -0.06 -3.39 2.98 8.25 -1.26 -1.20 115.22 123.49 2jkx n HIS 496 Ca 0.16 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.38 2jkx n HIS 496 Cb 0.28 -1.26 -0.01 0.00 1.12 0.00 0.00 29.99 30.12 2jkx n HIS 496 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jkx s SER 497 N -2.91 6.29 0.05 0.41 1.04 -0.77 -0.49 113.70 117.32 2jkx s SER 497 Ca 0.00 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.88 2jkx s SER 497 Cb 0.00 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 2jkx s SER 497 CO 0.00 -0.29 -0.05 0.27 0.98 0.00 0.00 173.24 174.15 2jkx s ILE 498 N -2.31 0.38 0.03 -1.02 -5.25 0.24 -4.33 121.20 108.94 2jkx s ILE 498 Ca 0.40 -1.42 0.02 0.00 -0.99 0.00 0.00 60.65 58.66 2jkx s ILE 498 Cb -0.10 -1.00 -0.02 0.00 2.95 0.00 0.00 42.46 44.30 2jkx s ILE 498 CO 0.36 -0.68 -0.08 -0.44 -1.79 0.00 0.00 174.94 172.31 2jkx s SER 499 N -2.23 0.85 -0.00 4.36 0.01 -1.26 -0.98 113.70 114.45 2jkx s SER 499 Ca -0.02 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 2jkx s SER 499 Cb -0.02 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 2jkx s SER 499 CO -0.04 -0.11 0.06 -0.76 0.41 0.00 0.00 173.24 172.80 2jkx s LEU 500 N -1.14 1.84 0.08 2.44 1.43 -0.23 -4.80 118.68 118.29 2jkx s LEU 500 Ca -0.06 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2jkx s LEU 500 Cb -0.08 0.34 -0.05 0.00 0.03 0.00 0.00 46.19 46.43 2jkx s LEU 500 CO 0.00 -0.23 1.04 -0.22 0.23 0.00 0.00 176.35 177.18 2jkx s LEU 501 N -0.91 4.43 0.28 1.79 2.96 -1.26 -1.19 118.68 124.78 2jkx s LEU 501 Ca -0.10 1.84 -0.08 0.00 -0.22 0.00 0.00 54.13 55.57 2jkx s LEU 501 Cb -0.06 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 2jkx s LEU 501 CO 0.00 -0.24 0.60 -0.76 -1.32 0.00 0.00 176.35 174.63 2jkx s LEU 502 N 0.48 4.07 0.61 -0.68 1.43 -0.05 -4.81 118.68 119.73 2jkx s LEU 502 Ca 0.51 0.90 0.29 0.00 -1.03 0.00 0.00 54.13 54.81 2jkx s LEU 502 Cb -0.25 -3.71 1.59 0.00 0.03 0.00 0.00 46.19 43.85 2jkx s LEU 502 CO 0.30 -0.18 1.97 -0.65 0.23 0.00 0.00 176.35 178.02 2jkx h PRO 503 N 2.01 0.00 -0.13 1.29 0.11 -1.88 -0.55 132.00 132.85 2jkx h PRO 503 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jkx h PRO 503 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2jkx h PRO 503 CO 0.67 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 2jkx n ASP 504 N -3.52 1.06 0.00 -2.05 5.75 -1.26 -0.18 116.55 116.35 2jkx n ASP 504 Ca 0.04 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 2jkx n ASP 504 Cb 0.49 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2jkx n ASP 504 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkx n GLY 505 N 0.96 0.86 3.96 6.12 0.00 -0.21 -4.80 105.19 112.09 2jkx n GLY 505 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2jkx n GLY 505 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkx s ARG 506 N -0.24 2.28 -0.07 1.61 0.52 -1.26 -4.71 118.95 117.09 2jkx s ARG 506 Ca 0.00 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 2jkx s ARG 506 Cb 0.00 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 2jkx s ARG 506 CO 0.00 -1.00 -0.17 0.08 0.02 0.00 0.00 175.30 174.23 2jkx s VAL 507 N -2.98 2.81 -0.28 3.52 1.01 -0.23 -0.87 120.40 123.38 2jkx s VAL 507 Ca 0.60 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2jkx s VAL 507 Cb -0.10 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2jkx s VAL 507 CO 0.41 0.57 0.08 0.12 0.00 0.00 0.00 175.10 176.29 2jkx s PHE 508 N -0.37 3.12 -0.11 5.22 5.36 -0.33 -0.62 117.98 130.25 2jkx s PHE 508 Ca 0.03 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.28 2jkx s PHE 508 Cb -0.12 -2.26 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2jkx s PHE 508 CO 0.02 -0.49 -0.14 1.21 -1.46 0.00 0.00 175.22 174.36 2jkx s ASN 509 N 1.55 2.42 0.03 6.13 3.04 -0.61 -1.07 114.94 126.43 2jkx s ASN 509 Ca 0.04 -0.42 -0.01 0.00 0.04 0.00 0.00 52.86 52.52 2jkx s ASN 509 Cb -0.16 -1.07 0.00 0.00 -1.54 0.00 0.00 41.25 38.48 2jkx s ASN 509 CO 0.03 -0.01 0.05 0.61 -3.04 0.00 0.00 177.10 174.74 2jkx n GLY 510 N 4.33 2.38 7.00 1.21 0.00 -0.15 0.10 105.19 120.06 2jkx n GLY 510 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2jkx n GLY 510 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 511 N -0.04 -0.95 0.00 -0.02 0.00 -0.63 -0.59 105.19 102.96 2jkx n GLY 511 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2jkx n GLY 511 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 512 N 0.00 2.45 0.00 -0.02 0.00 0.35 -4.58 105.19 103.39 2jkx n GLY 512 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2jkx n GLY 512 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 513 N 2.01 0.81 2.67 -0.02 0.00 -0.34 -1.06 105.19 109.26 2jkx n GLY 513 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 2jkx n GLY 513 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jkx n LEU 514 N 0.00 -4.34 -1.12 0.99 7.94 -1.26 -4.73 117.00 114.48 2jkx n LEU 514 Ca 0.00 -0.47 0.04 0.00 -1.11 0.00 0.00 56.01 54.47 2jkx n LEU 514 Cb 0.00 -2.31 0.06 0.00 0.53 0.00 0.00 43.42 41.70 2jkx n LEU 514 CO 0.00 0.09 0.17 0.00 -1.11 0.00 0.00 177.39 176.53 2jkx n GLY 516 N 0.02 3.05 0.00 0.00 0.00 0.37 -2.36 105.19 106.27 2jkx n GLY 516 Ca 0.08 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2jkx n GLY 516 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jkx n ASP 517 N 9.93 0.00 -4.61 1.61 5.68 -1.26 -0.23 116.55 127.67 2jkx n ASP 517 Ca 0.00 -0.53 -0.34 0.00 -0.50 0.00 0.00 54.79 53.42 2jkx n ASP 517 Cb 0.00 -0.08 0.11 0.00 -1.14 0.00 0.00 41.12 40.01 2jkx n ASP 517 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jkx n THR 519 N -3.14 0.23 -0.45 0.00 -2.24 -1.26 -1.17 114.28 106.25 2jkx n THR 519 Ca 0.12 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.58 2jkx n THR 519 Cb 0.51 0.62 0.34 0.00 -2.10 0.00 0.00 70.33 69.69 2jkx n THR 519 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jkx n THR 520 N 0.65 1.23 -2.27 4.28 -2.24 -1.26 -3.35 114.28 111.32 2jkx n THR 520 Ca 0.17 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 2jkx n THR 520 Cb 0.42 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2jkx n THR 520 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jkx s ASN 521 N -0.97 6.93 -0.36 3.42 0.01 -1.25 -3.88 114.94 118.83 2jkx s ASN 521 Ca 0.50 2.24 -0.03 0.00 -0.71 0.00 0.00 52.86 54.87 2jkx s ASN 521 Cb 0.28 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.43 2jkx s ASN 521 CO 0.31 -0.55 0.12 -1.00 -1.51 0.00 0.00 177.10 174.47 2jkx s HIS 522 N 0.80 3.45 -0.63 2.20 3.76 -0.22 -4.55 115.29 120.10 2jkx s HIS 522 Ca 0.60 -2.14 -0.05 0.00 -0.15 0.00 0.00 55.06 53.32 2jkx s HIS 522 Cb -0.34 -2.73 -0.02 0.00 1.11 0.00 0.00 32.58 30.60 2jkx s HIS 522 CO 0.32 -0.89 2.92 1.19 -0.85 0.00 0.00 174.74 177.43 2jkx n PHE 523 N 4.61 1.49 -3.84 1.40 3.01 -1.26 -4.20 117.46 118.67 2jkx n PHE 523 Ca -0.07 -2.12 -0.05 0.00 1.01 0.00 0.00 57.45 56.22 2jkx n PHE 523 Cb 0.42 -1.63 0.01 0.00 -0.01 0.00 0.00 39.48 38.28 2jkx n PHE 523 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2jkx s ASP 524 N 0.92 -0.05 0.18 4.37 1.47 -1.26 -0.64 116.67 121.66 2jkx s ASP 524 Ca 0.61 -0.74 -0.07 0.00 1.18 0.00 0.00 52.55 53.53 2jkx s ASP 524 Cb 0.31 0.60 -0.02 0.00 -0.34 0.00 0.00 42.92 43.47 2jkx s ASP 524 CO -0.13 -1.18 0.25 0.00 0.68 0.00 0.00 175.17 174.79 2jkx s ALA 525 N -2.53 0.34 0.09 2.11 0.00 -0.54 -1.60 121.76 119.63 2jkx s ALA 525 Ca 0.18 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2jkx s ALA 525 Cb -0.03 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 2jkx s ALA 525 CO 0.06 -0.65 -0.09 -0.65 0.00 0.00 0.00 175.76 174.44 2jkx s GLN 526 N -4.03 0.82 -0.09 0.00 -0.21 0.12 -0.70 119.66 115.56 2jkx s GLN 526 Ca 0.24 -1.18 -0.19 0.00 0.02 0.00 0.00 55.36 54.25 2jkx s GLN 526 Cb 0.04 -0.42 -0.04 0.00 1.00 0.00 0.00 33.01 33.58 2jkx s GLN 526 CO 0.04 0.05 0.51 0.42 -2.12 0.00 0.00 175.29 174.19 2jkx s ILE 527 N -2.68 5.13 -0.23 1.08 -1.09 -0.84 -1.57 121.20 121.01 2jkx s ILE 527 Ca 0.06 1.03 -0.08 0.00 -2.23 0.00 0.00 60.65 59.43 2jkx s ILE 527 Cb -0.01 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2jkx s ILE 527 CO -0.01 0.35 0.09 0.12 -1.23 0.00 0.00 174.94 174.26 2jkx s PHE 528 N 0.44 3.19 -0.44 3.97 5.36 0.21 0.01 117.98 130.71 2jkx s PHE 528 Ca 0.28 -0.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.02 2jkx s PHE 528 Cb -0.16 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.39 2jkx s PHE 528 CO 0.12 -0.09 0.33 0.99 -1.46 0.00 0.00 175.22 175.12 2jkx s THR 529 N 1.08 4.99 0.83 0.12 2.01 0.11 -1.07 115.64 123.71 2jkx s THR 529 Ca 0.05 -1.03 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 2jkx s THR 529 Cb -0.14 -3.94 0.10 0.00 0.01 0.00 0.00 72.50 68.53 2jkx s THR 529 CO 0.04 -0.48 1.15 -2.84 -0.69 0.00 0.00 174.62 171.79 2jkx s PRO 530 N 1.60 1.59 0.58 4.92 0.02 -1.26 -1.35 135.00 141.10 2jkx s PRO 530 Ca 0.04 1.52 0.28 0.00 0.02 0.00 0.00 61.00 62.86 2jkx s PRO 530 Cb -0.23 -1.79 1.70 0.00 0.02 0.00 0.00 34.50 34.21 2jkx s PRO 530 CO 0.06 -2.20 2.20 -0.97 -0.33 0.00 0.00 177.00 175.77 2jkx h ASN 531 N -1.28 0.00 0.22 2.53 -1.24 -1.88 -2.08 115.58 111.84 2jkx h ASN 531 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 2jkx h ASN 531 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2jkx h ASN 531 CO 0.46 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.60 2jkx n TYR 532 N -3.94 0.00 1.00 0.67 0.18 -1.26 -1.35 117.16 112.46 2jkx n TYR 532 Ca -0.02 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.88 2jkx n TYR 532 Cb 0.15 -0.36 0.10 0.00 -0.38 0.00 0.00 39.34 38.86 2jkx n TYR 532 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2jkx n LEU 533 N -1.36 2.98 -4.54 -3.48 4.77 -0.78 -4.25 117.00 110.34 2jkx n LEU 533 Ca 0.04 -0.99 -0.33 0.00 -0.03 0.00 0.00 56.01 54.70 2jkx n LEU 533 Cb 0.09 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 2jkx n LEU 533 CO 0.08 0.50 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.90 2jkx s TYR 534 N -2.00 2.80 0.75 -1.77 2.02 -0.46 0.13 117.35 118.82 2jkx s TYR 534 Ca 0.28 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.78 2jkx s TYR 534 Cb 0.20 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2jkx s TYR 534 CO 0.30 0.29 1.08 1.21 -1.57 0.00 0.00 175.55 176.86 2jkx s ASN 535 N -1.03 4.91 0.66 2.29 3.84 0.11 -4.64 114.94 121.07 2jkx s ASN 535 Ca 0.14 1.50 0.43 0.00 0.21 0.00 0.00 52.86 55.14 2jkx s ASN 535 Cb -0.11 -2.31 2.36 0.00 -0.55 0.00 0.00 41.25 40.64 2jkx s ASN 535 CO 0.03 -1.73 2.36 0.77 -2.79 0.00 0.00 177.10 175.74 2jkx h SER 536 N -0.92 0.00 -0.96 -4.21 4.64 -1.97 -0.21 113.55 109.92 2jkx h SER 536 Ca -0.45 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.95 2jkx h SER 536 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 2jkx h SER 536 CO 0.57 0.00 0.61 0.78 -0.87 0.00 0.00 176.83 177.92 2jkx h ASN 537 N 0.00 0.94 0.00 4.97 2.35 -2.01 -3.47 115.58 118.36 2jkx h ASN 537 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2jkx h ASN 537 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2jkx h ASN 537 CO 0.00 0.57 0.00 0.61 -1.65 0.00 0.00 177.43 176.96 2jkx n GLY 538 N -1.35 0.42 3.90 2.83 0.00 -0.09 -5.09 105.19 105.82 2jkx n GLY 538 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2jkx n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkx s ASN 539 N -2.59 6.34 0.19 1.61 0.01 -1.26 -4.84 114.94 114.40 2jkx s ASN 539 Ca 0.00 0.98 -0.31 0.00 -0.71 0.00 0.00 52.86 52.82 2jkx s ASN 539 Cb 0.00 -2.27 -0.10 0.00 0.41 0.00 0.00 41.25 39.29 2jkx s ASN 539 CO 0.00 -0.52 1.57 -0.76 -1.51 0.00 0.00 177.10 175.88 2jkx s LEU 540 N -4.46 4.37 0.58 0.60 1.43 -1.26 0.06 118.68 120.00 2jkx s LEU 540 Ca 0.48 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 56.09 2jkx s LEU 540 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2jkx s LEU 540 CO 0.41 -0.83 1.10 0.00 0.23 0.00 0.00 176.35 177.26 2jkx s ALA 541 N 0.89 2.65 0.16 4.21 0.00 0.12 -4.64 121.76 125.15 2jkx s ALA 541 Ca 0.68 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 2jkx s ALA 541 Cb -0.44 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.28 2jkx s ALA 541 CO 0.34 -0.89 1.34 0.99 0.00 0.00 0.00 175.76 177.54 2jkx s THR 542 N -2.09 3.26 -0.10 0.00 2.01 -1.26 -4.92 115.64 112.53 2jkx s THR 542 Ca 0.69 0.98 -0.02 0.00 0.31 0.00 0.00 61.69 63.64 2jkx s THR 542 Cb -0.21 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2jkx s THR 542 CO 0.33 0.12 0.00 -0.13 -0.69 0.00 0.00 174.62 174.24 2jkx s ARG 543 N 0.40 3.14 0.66 4.92 0.52 -1.26 -4.93 118.95 122.40 2jkx s ARG 543 Ca 0.60 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.24 2jkx s ARG 543 Cb -0.36 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2jkx s ARG 543 CO 0.35 0.62 1.16 -1.25 0.02 0.00 0.00 175.30 176.20 2jkx s PRO 544 N -0.65 2.63 -0.05 3.54 0.04 -1.26 -4.95 135.00 134.29 2jkx s PRO 544 Ca 0.11 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2jkx s PRO 544 Cb -0.12 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2jkx s PRO 544 CO 0.02 -1.42 -0.18 0.15 0.04 0.00 0.00 177.00 175.61 2jkx s LYS 545 N -3.82 2.53 -0.60 4.56 1.02 -1.26 -4.04 119.74 118.13 2jkx s LYS 545 Ca 0.72 -0.77 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 2jkx s LYS 545 Cb -0.26 -2.31 0.07 0.00 -0.52 0.00 0.00 37.83 34.82 2jkx s LYS 545 CO 0.40 0.53 0.85 0.42 -0.92 0.00 0.00 175.35 176.63 2jkx s ILE 546 N -0.50 4.53 -0.36 2.17 1.01 -1.26 -1.96 121.20 124.84 2jkx s ILE 546 Ca 0.06 -0.40 0.22 0.00 0.00 0.00 0.00 60.65 60.53 2jkx s ILE 546 Cb -0.12 -4.55 0.22 0.00 0.01 0.00 0.00 42.46 38.02 2jkx s ILE 546 CO 0.01 -1.22 1.42 0.71 0.00 0.00 0.00 174.94 175.87 2jkx h THR 547 N 5.95 0.07 -2.23 2.92 1.35 -1.05 -3.46 112.91 116.46 2jkx h THR 547 Ca -0.28 -1.11 -0.07 0.00 -0.55 0.00 0.00 66.41 64.40 2jkx h THR 547 Cb 1.08 1.90 -0.21 0.00 -1.73 0.00 0.00 68.15 69.18 2jkx h THR 547 CO 1.11 0.04 0.04 0.00 -0.25 0.00 0.00 175.52 176.47 2jkx s ARG 548 N -3.23 0.82 -0.05 4.72 1.04 -1.10 -4.93 118.95 116.22 2jkx s ARG 548 Ca 0.04 0.61 0.03 0.00 -1.04 0.00 0.00 55.73 55.37 2jkx s ARG 548 Cb 0.06 0.39 0.00 0.00 -2.04 0.00 0.00 34.95 33.37 2jkx s ARG 548 CO 0.71 -0.16 -0.14 0.95 -0.04 0.00 0.00 175.30 176.62 2jkx s THR 549 N -0.24 1.25 0.42 4.99 -4.23 -1.26 -1.51 115.64 115.06 2jkx s THR 549 Ca -0.04 -0.59 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 2jkx s THR 549 Cb -0.03 -1.11 0.29 0.00 1.34 0.00 0.00 72.50 72.99 2jkx s THR 549 CO 0.04 0.37 2.03 0.77 -0.54 0.00 0.00 174.62 177.29 2jkx h SER 550 N 6.59 0.44 -5.05 3.99 4.64 -0.68 -3.45 113.55 120.04 2jkx h SER 550 Ca -0.31 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 2jkx h SER 550 Cb 1.18 -0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 2jkx h SER 550 CO 0.48 0.30 -0.01 0.28 -0.87 0.00 0.00 176.83 177.01 2jkx s THR 551 N -5.47 0.05 -1.55 2.95 -1.32 -1.26 -5.00 115.64 104.04 2jkx s THR 551 Ca -0.08 -0.41 0.20 0.00 -1.21 0.00 0.00 61.69 60.18 2jkx s THR 551 Cb 0.18 -1.08 -0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2jkx s THR 551 CO 0.74 -0.23 0.94 0.00 -2.21 0.00 0.00 174.62 173.86 2jkx n GLN 552 N -0.04 1.24 -3.80 7.08 6.02 -1.26 -4.95 117.38 121.67 2jkx n GLN 552 Ca -0.17 -0.67 -0.15 0.00 -0.01 0.00 0.00 57.00 56.00 2jkx n GLN 552 Cb 0.63 -1.39 -0.16 0.00 1.02 0.00 0.00 30.24 30.34 2jkx n GLN 552 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jkx s SER 553 N -2.39 0.12 -0.03 1.08 0.15 -1.26 -0.37 113.70 111.00 2jkx s SER 553 Ca 0.14 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.76 2jkx s SER 553 Cb 0.15 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2jkx s SER 553 CO 0.58 -0.12 0.13 0.54 1.20 0.00 0.00 173.24 175.57 2jkx s VAL 554 N 1.00 0.03 0.34 4.45 0.11 -0.04 -4.97 120.40 121.33 2jkx s VAL 554 Ca -0.09 -0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 58.51 2jkx s VAL 554 Cb -0.12 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.37 2jkx s VAL 554 CO -0.03 -0.13 0.88 -0.54 -3.33 0.00 0.00 175.10 171.95 2jkx s LYS 555 N -0.40 4.32 0.29 1.54 1.02 -1.26 -0.82 119.74 124.44 2jkx s LYS 555 Ca -0.05 1.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.74 2jkx s LYS 555 Cb -0.03 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.58 2jkx s LYS 555 CO 0.00 0.18 1.10 1.33 -0.92 0.00 0.00 175.35 177.05 2jkx n VAL 556 N 0.07 1.86 -0.02 3.17 0.24 -0.42 -0.26 118.33 122.96 2jkx n VAL 556 Ca 0.03 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2jkx n VAL 556 Cb 0.52 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 2jkx n VAL 556 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jkx n GLY 557 N 1.23 2.41 3.87 7.63 0.00 -0.42 -4.80 105.19 115.12 2jkx n GLY 557 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2jkx n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jkx s GLY 558 N -2.00 1.68 0.00 -0.02 0.00 0.64 -4.66 107.32 102.95 2jkx s GLY 558 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.58 2jkx s GLY 558 CO 0.00 0.13 0.12 0.50 0.00 0.00 0.00 173.10 173.85 2jkx s ARG 559 N -5.01 3.20 -0.06 2.90 0.52 -1.26 -0.92 118.95 118.33 2jkx s ARG 559 Ca 0.54 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.36 2jkx s ARG 559 Cb -0.11 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.42 2jkx s ARG 559 CO 0.51 0.65 -0.18 0.42 0.02 0.00 0.00 175.30 176.72 2jkx s ILE 560 N -1.26 1.54 -0.09 1.52 1.01 -0.33 -4.95 121.20 118.63 2jkx s ILE 560 Ca 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2jkx s ILE 560 Cb -0.12 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2jkx s ILE 560 CO 0.17 0.44 -0.08 -0.89 0.00 0.00 0.00 174.94 174.57 2jkx s THR 561 N 0.23 3.54 0.12 2.92 2.01 -1.26 -1.61 115.64 121.59 2jkx s THR 561 Ca -0.09 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2jkx s THR 561 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2jkx s THR 561 CO 0.04 0.57 -0.12 0.27 -0.69 0.00 0.00 174.62 174.69 2jkx s ILE 562 N -0.42 1.20 0.06 1.82 -4.36 0.39 0.15 121.20 120.04 2jkx s ILE 562 Ca 0.06 -1.80 0.08 0.00 -0.26 0.00 0.00 60.65 58.73 2jkx s ILE 562 Cb -0.12 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 2jkx s ILE 562 CO 0.02 -0.54 -0.21 -0.44 0.24 0.00 0.00 174.94 174.01 2jkx s SER 563 N -2.66 3.64 0.28 4.36 0.01 -0.57 -0.88 113.70 117.89 2jkx s SER 563 Ca 0.10 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 56.92 2jkx s SER 563 Cb -0.02 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 2jkx s SER 563 CO 0.02 0.24 -0.08 0.42 0.41 0.00 0.00 173.24 174.24 2jkx s THR 564 N -0.95 1.80 -2.10 1.44 -4.23 -0.48 -0.40 115.64 110.71 2jkx s THR 564 Ca 0.15 -2.16 0.29 0.00 -1.18 0.00 0.00 61.69 58.79 2jkx s THR 564 Cb -0.10 -2.44 0.61 0.00 1.34 0.00 0.00 72.50 71.91 2jkx s THR 564 CO 0.06 -0.31 1.90 -0.90 -0.54 0.00 0.00 174.62 174.82 2jkx n ASP 565 N -0.60 0.80 -3.75 3.99 5.75 -0.83 -4.82 116.55 117.09 2jkx n ASP 565 Ca -0.06 -1.10 -0.08 0.00 -0.01 0.00 0.00 54.79 53.55 2jkx n ASP 565 Cb 0.63 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2jkx n ASP 565 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2jkx s SER 566 N -2.15 -0.32 0.25 -1.12 1.04 -1.26 -4.96 113.70 105.17 2jkx s SER 566 Ca 0.38 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 2jkx s SER 566 Cb 0.21 0.68 -0.09 0.00 0.10 0.00 0.00 66.02 66.92 2jkx s SER 566 CO 0.39 -1.23 1.26 -0.44 0.98 0.00 0.00 173.24 174.20 2jkx s SER 567 N -2.88 6.95 -0.14 7.02 0.01 -1.26 -4.91 113.70 118.50 2jkx s SER 567 Ca 0.09 2.44 -0.05 0.00 1.31 0.00 0.00 55.95 59.74 2jkx s SER 567 Cb -0.05 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2jkx s SER 567 CO 0.02 -0.44 0.03 -0.63 0.41 0.00 0.00 173.24 172.63 2jkx s ILE 568 N -0.49 4.50 -0.20 1.44 -1.09 -1.26 -4.18 121.20 119.92 2jkx s ILE 568 Ca 0.52 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.79 2jkx s ILE 568 Cb -0.36 -2.96 -0.21 0.00 -1.58 0.00 0.00 42.46 37.34 2jkx s ILE 568 CO 0.43 0.53 0.05 -1.20 -1.23 0.00 0.00 174.94 173.52 2jkx n SER 569 N 2.90 1.81 -3.90 3.58 7.64 0.25 -4.94 113.62 120.96 2jkx n SER 569 Ca -0.18 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.63 2jkx n SER 569 Cb 0.53 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.22 2jkx n SER 569 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jkx s LYS 570 N -2.53 0.68 0.02 1.43 1.02 -1.12 -5.02 119.74 114.22 2jkx s LYS 570 Ca -0.27 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 54.83 2jkx s LYS 570 Cb 0.08 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 2jkx s LYS 570 CO 0.69 -0.19 0.17 0.00 -0.92 0.00 0.00 175.35 175.10 2jkx s ALA 571 N -3.01 -0.32 0.03 5.17 0.00 -1.26 -0.89 121.76 121.48 2jkx s ALA 571 Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 2jkx s ALA 571 Cb 0.01 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2jkx s ALA 571 CO -0.06 -0.30 0.19 -1.54 0.00 0.00 0.00 175.76 174.05 2jkx s SER 572 N -1.82 0.02 -0.15 0.00 1.04 -0.07 -1.29 113.70 111.41 2jkx s SER 572 Ca -0.09 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 2jkx s SER 572 Cb -0.03 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 2jkx s SER 572 CO -0.02 -0.52 -0.02 -0.76 0.98 0.00 0.00 173.24 172.90 2jkx s LEU 573 N -1.92 3.33 -0.18 2.42 1.43 -0.26 -1.25 118.68 122.25 2jkx s LEU 573 Ca -0.07 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2jkx s LEU 573 Cb -0.02 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.41 2jkx s LEU 573 CO -0.02 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 175.91 2jkx s ILE 574 N 0.30 2.07 0.25 -0.59 -1.09 0.55 -0.76 121.20 121.91 2jkx s ILE 574 Ca -0.03 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.14 2jkx s ILE 574 Cb -0.14 -1.87 -0.09 0.00 -1.58 0.00 0.00 42.46 38.78 2jkx s ILE 574 CO 0.03 0.53 1.21 -0.60 -1.23 0.00 0.00 174.94 174.88 2jkx s ARG 575 N 1.29 4.48 0.52 2.79 3.52 -0.45 0.00 118.95 131.10 2jkx s ARG 575 Ca 0.05 1.96 -0.22 0.00 -0.13 0.00 0.00 55.73 57.39 2jkx s ARG 575 Cb -0.13 -3.18 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 2jkx s ARG 575 CO -0.13 -0.06 1.22 0.66 -0.81 0.00 0.00 175.30 176.19 2jkx n TYR 576 N 1.78 1.83 -3.96 5.12 4.01 -0.67 -4.02 117.16 121.25 2jkx n TYR 576 Ca 0.02 0.46 -0.21 0.00 -0.16 0.00 0.00 57.90 58.01 2jkx n TYR 576 Cb 0.44 -2.31 -0.03 0.00 -0.31 0.00 0.00 39.34 37.13 2jkx n TYR 576 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jkx s GLY 577 N -0.88 1.36 0.05 2.72 0.00 -1.26 -3.85 107.32 105.46 2jkx s GLY 577 Ca 0.69 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2jkx s GLY 577 CO 0.52 -1.36 -0.07 -0.51 0.00 0.00 0.00 173.10 171.68 2jkx s THR 578 N -2.08 0.51 -0.17 0.90 -4.23 -1.26 -2.63 115.64 106.69 2jkx s THR 578 Ca 0.35 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 2jkx s THR 578 Cb -0.08 -0.81 0.05 0.00 1.34 0.00 0.00 72.50 73.00 2jkx s THR 578 CO 0.28 -0.51 0.42 0.00 -0.54 0.00 0.00 174.62 174.27 2jkx s ALA 579 N -1.91 -1.07 -0.23 3.99 0.00 0.54 -4.24 121.76 118.84 2jkx s ALA 579 Ca -0.06 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 2jkx s ALA 579 Cb -0.06 -0.88 0.10 0.00 0.00 0.00 0.00 23.12 22.27 2jkx s ALA 579 CO -0.01 -0.25 0.87 -0.08 0.00 0.00 0.00 175.76 176.29 2jkx s THR 580 N 1.12 0.00 -1.37 0.00 -1.32 -0.92 -0.86 115.64 112.29 2jkx s THR 580 Ca -0.07 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.34 2jkx s THR 580 Cb -0.07 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.96 2jkx s THR 580 CO -0.10 0.00 0.51 1.41 -2.21 0.00 0.00 174.62 174.24 2jkx n HIS 581 N 1.99 -1.84 -0.20 9.09 8.25 -1.26 -0.81 115.22 130.45 2jkx n HIS 581 Ca -0.14 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2jkx n HIS 581 Cb 0.56 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 28.16 2jkx n HIS 581 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jkx n THR 582 N -4.13 0.00 -3.33 1.59 -2.24 -1.26 -4.94 114.28 99.98 2jkx n THR 582 Ca -0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.34 2jkx n THR 582 Cb 0.57 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2jkx n THR 582 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jkx s VAL 583 N -3.04 5.15 -0.33 2.28 1.01 0.01 -4.80 120.40 120.68 2jkx s VAL 583 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2jkx s VAL 583 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2jkx s VAL 583 CO 0.00 0.36 0.28 0.21 0.00 0.00 0.00 175.10 175.95 2jkx s ASN 584 N 0.36 2.09 0.00 3.32 3.84 -1.26 -2.16 114.94 121.14 2jkx s ASN 584 Ca 0.26 -1.38 0.26 0.00 0.21 0.00 0.00 52.86 52.21 2jkx s ASN 584 Cb -0.15 0.20 0.71 0.00 -0.55 0.00 0.00 41.25 41.46 2jkx s ASN 584 CO 0.11 -0.34 1.54 0.35 -2.79 0.00 0.00 177.10 175.97 2jkx n THR 585 N 4.73 0.00 -0.05 -5.21 -2.24 -1.26 -4.28 114.28 105.96 2jkx n THR 585 Ca 0.04 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 2jkx n THR 585 Cb 0.43 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 2jkx n THR 585 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jkx n ASP 586 N 0.13 1.76 -4.76 3.42 8.00 -1.26 -4.69 116.55 119.14 2jkx n ASP 586 Ca 0.15 0.09 -0.37 0.00 0.71 0.00 0.00 54.79 55.38 2jkx n ASP 586 Cb 0.41 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2jkx n ASP 586 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jkx s GLN 587 N -2.54 3.36 -0.11 -1.24 -2.07 -1.25 -4.63 119.66 111.17 2jkx s GLN 587 Ca -0.24 1.84 -0.33 0.00 -1.82 0.00 0.00 55.36 54.81 2jkx s GLN 587 Cb 0.08 -2.17 0.13 0.00 -1.09 0.00 0.00 33.01 29.95 2jkx s GLN 587 CO 0.72 -0.90 1.14 -0.98 -1.32 0.00 0.00 175.29 173.95 2jkx s ARG 588 N -3.02 0.46 -0.02 9.60 1.70 -1.26 -4.63 118.95 121.79 2jkx s ARG 588 Ca 0.71 -0.19 0.06 0.00 -0.47 0.00 0.00 55.73 55.84 2jkx s ARG 588 Cb -0.30 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.27 2jkx s ARG 588 CO 0.35 -0.20 -0.21 0.50 -1.08 0.00 0.00 175.30 174.66 2jkx s ARG 589 N -2.60 1.76 -0.25 3.89 3.52 -0.76 -1.34 118.95 123.17 2jkx s ARG 589 Ca 0.09 -0.73 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2jkx s ARG 589 Cb -0.00 -1.65 0.03 0.00 -1.56 0.00 0.00 34.95 31.76 2jkx s ARG 589 CO -0.05 0.41 -0.08 0.42 -0.81 0.00 0.00 175.30 175.20 2jkx s ILE 590 N -0.39 2.71 0.25 4.11 1.01 0.06 0.37 121.20 129.32 2jkx s ILE 590 Ca 0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2jkx s ILE 590 Cb -0.09 -2.40 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 2jkx s ILE 590 CO -0.00 0.17 1.21 -2.16 0.00 0.00 0.00 174.94 174.16 2jkx s PRO 591 N 1.29 4.49 -0.10 2.79 0.04 -1.26 -1.10 135.00 141.14 2jkx s PRO 591 Ca -0.01 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 2jkx s PRO 591 Cb -0.17 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2jkx s PRO 591 CO -0.05 -0.05 0.12 -0.51 0.04 0.00 0.00 177.00 176.55 2jkx s LEU 592 N -0.90 4.23 -0.39 -3.56 1.43 -0.41 -4.93 118.68 114.14 2jkx s LEU 592 Ca 0.50 0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 2jkx s LEU 592 Cb -0.35 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2jkx s LEU 592 CO 0.42 0.39 0.52 -0.89 0.23 0.00 0.00 176.35 177.02 2jkx s THR 593 N -1.03 4.99 -0.00 5.49 2.01 -1.26 -4.49 115.64 121.35 2jkx s THR 593 Ca 0.16 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 2jkx s THR 593 Cb -0.12 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 2jkx s THR 593 CO 0.05 -0.36 0.45 -0.76 -0.69 0.00 0.00 174.62 173.31 2jkx s LEU 594 N 2.42 4.46 -0.25 4.42 1.43 -1.26 -4.47 118.68 125.42 2jkx s LEU 594 Ca 0.18 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 54.18 2jkx s LEU 594 Cb -0.16 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2jkx s LEU 594 CO 0.15 0.26 0.15 -0.89 0.23 0.00 0.00 176.35 176.25 2jkx s THR 595 N -0.82 5.09 -0.47 5.49 2.01 0.11 -4.96 115.64 122.09 2jkx s THR 595 Ca 0.25 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.07 2jkx s THR 595 Cb -0.17 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2jkx s THR 595 CO 0.14 0.32 1.02 0.21 -0.69 0.00 0.00 174.62 175.62 2jkx s ASN 596 N 1.36 6.55 0.00 3.53 3.84 -1.26 -1.02 114.94 127.94 2jkx s ASN 596 Ca 0.07 0.25 0.29 0.00 0.21 0.00 0.00 52.86 53.68 2jkx s ASN 596 Cb -0.15 -2.49 1.35 0.00 -0.55 0.00 0.00 41.25 39.41 2jkx s ASN 596 CO 0.06 -1.15 1.93 0.59 -2.79 0.00 0.00 177.10 175.74 2jkx n ASN 597 N 7.48 0.42 0.00 -4.21 3.02 0.81 -5.01 115.26 117.77 2jkx n ASN 597 Ca 0.09 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 2jkx n ASN 597 Cb 0.49 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 2jkx n ASN 597 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jkx n GLY 598 N 1.23 -1.75 2.78 7.41 0.00 -1.23 -4.86 105.19 108.78 2jkx n GLY 598 Ca 0.16 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 2jkx n GLY 598 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkx n GLY 599 N -1.15 -0.43 3.71 -0.02 0.00 -1.26 -2.38 105.19 103.66 2jkx n GLY 599 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2jkx n GLY 599 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jkx n ASN 600 N -2.06 -4.74 -4.28 1.61 3.02 -1.26 -4.88 115.26 102.68 2jkx n ASN 600 Ca -0.14 -0.67 -0.32 0.00 -0.03 0.00 0.00 54.58 53.42 2jkx n ASN 600 Cb 0.63 -4.50 -0.16 0.00 -0.61 0.00 0.00 39.78 35.13 2jkx n ASN 600 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jkx s SER 601 N -3.55 3.34 0.03 6.41 0.15 -1.00 -1.38 113.70 117.71 2jkx s SER 601 Ca 0.49 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2jkx s SER 601 Cb -0.23 -1.29 -0.02 0.00 -1.71 0.00 0.00 66.02 62.77 2jkx s SER 601 CO 0.78 0.19 -0.06 -0.31 1.20 0.00 0.00 173.24 175.03 2jkx s TYR 602 N 0.16 0.56 0.15 3.44 1.51 -0.05 -0.14 117.35 122.98 2jkx s TYR 602 Ca -0.12 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.51 2jkx s TYR 602 Cb -0.16 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2jkx s TYR 602 CO 0.07 -0.11 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.16 2jkx s SER 603 N -1.49 2.01 0.06 2.29 0.01 -0.19 -0.46 113.70 115.93 2jkx s SER 603 Ca -0.11 -0.94 -0.20 0.00 1.31 0.00 0.00 55.95 56.01 2jkx s SER 603 Cb -0.10 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.12 2jkx s SER 603 CO 0.00 -0.23 0.47 0.72 0.41 0.00 0.00 173.24 174.61 2jkx s PHE 604 N -2.81 -0.35 -0.15 2.43 -0.12 -0.64 -0.71 117.98 115.63 2jkx s PHE 604 Ca 0.15 0.33 -0.07 0.00 -0.05 0.00 0.00 56.93 57.28 2jkx s PHE 604 Cb -0.01 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2jkx s PHE 604 CO 0.03 -0.63 0.09 -1.14 -0.05 0.00 0.00 175.22 173.52 2jkx s GLN 605 N -2.63 3.66 0.16 1.99 0.74 -1.26 -1.18 119.66 121.14 2jkx s GLN 605 Ca -0.04 -0.25 -0.30 0.00 0.05 0.00 0.00 55.36 54.81 2jkx s GLN 605 Cb -0.00 -3.18 -0.08 0.00 1.10 0.00 0.00 33.01 30.85 2jkx s GLN 605 CO -0.03 0.54 1.28 0.08 -0.55 0.00 0.00 175.29 176.60 2jkx s VAL 606 N -0.35 3.44 0.20 1.34 1.01 -0.09 -4.81 120.40 121.13 2jkx s VAL 606 Ca 0.10 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 2jkx s VAL 606 Cb -0.12 -3.72 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 2jkx s VAL 606 CO 0.01 0.14 0.78 -2.65 0.00 0.00 0.00 175.10 173.39 2jkx n PRO 607 N 3.05 0.51 0.24 2.72 -0.02 -1.26 -1.29 135.00 138.94 2jkx n PRO 607 Ca 0.07 0.18 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 2jkx n PRO 607 Cb 0.44 -1.38 0.42 0.00 -0.02 0.00 0.00 33.50 32.95 2jkx n PRO 607 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jkx h SER 608 N 1.73 0.00 -3.56 2.55 4.64 -1.90 -2.34 113.55 114.67 2jkx h SER 608 Ca -0.35 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.34 2jkx h SER 608 Cb 1.40 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.36 2jkx h SER 608 CO 0.60 0.00 0.20 -0.62 -0.87 0.00 0.00 176.83 176.14 2jkx s ASP 609 N -5.87 6.45 0.00 4.97 -1.08 -1.26 -4.47 116.67 115.41 2jkx s ASP 609 Ca 0.04 0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.44 2jkx s ASP 609 Cb 0.07 -2.34 0.90 0.00 -1.46 0.00 0.00 42.92 40.09 2jkx s ASP 609 CO 0.60 -0.64 1.57 -1.54 0.52 0.00 0.00 175.17 175.68 2jkx n SER 610 N 6.15 0.00 0.20 -0.34 3.41 -1.26 -1.12 113.62 120.66 2jkx n SER 610 Ca -0.00 0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.81 2jkx n SER 610 Cb 0.48 -0.33 0.30 0.00 -0.26 0.00 0.00 64.21 64.40 2jkx n SER 610 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jkx h GLY 611 N 3.07 0.00 0.00 5.00 0.00 -1.82 -2.93 103.07 106.39 2jkx h GLY 611 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkx h GLY 611 CO 0.00 0.00 -0.52 -0.62 0.00 0.00 0.00 176.54 175.40 2jkx n VAL 612 N -3.32 1.32 -2.34 4.60 0.31 -0.49 -4.14 118.33 114.27 2jkx n VAL 612 Ca 0.01 0.23 -0.43 0.00 -0.01 0.00 0.00 64.34 64.15 2jkx n VAL 612 Cb 0.53 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2jkx n VAL 612 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkx n ALA 613 N -3.62 5.12 -1.65 3.52 0.00 -0.27 -4.93 120.51 118.68 2jkx n ALA 613 Ca -0.07 -4.23 -0.50 0.00 0.00 0.00 0.00 53.44 48.64 2jkx n ALA 613 Cb 0.27 -3.09 -0.05 0.00 0.00 0.00 0.00 19.45 16.57 2jkx n ALA 613 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jkx n LEU 614 N 4.60 2.61 -4.71 0.00 4.77 -1.11 -4.51 117.00 118.65 2jkx n LEU 614 Ca 0.41 1.07 -0.39 0.00 -0.03 0.00 0.00 56.01 57.07 2jkx n LEU 614 Cb 0.38 -1.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.20 2jkx n LEU 614 CO 0.80 -0.50 0.88 -2.65 -1.33 0.00 0.00 177.39 174.59 2jkx n PRO 615 N 4.10 1.68 -0.98 3.23 -0.02 -1.26 -4.85 135.00 136.90 2jkx n PRO 615 Ca 0.20 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2jkx n PRO 615 Cb 0.23 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2jkx n PRO 615 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkx n GLY 616 N 0.86 0.58 3.79 -1.23 0.00 -0.47 -4.37 105.19 104.34 2jkx n GLY 616 Ca 0.09 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 2jkx n GLY 616 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkx s TYR 617 N -2.86 3.67 0.13 1.61 2.02 -1.26 -0.42 117.35 120.24 2jkx s TYR 617 Ca 0.00 1.02 0.07 0.00 -0.37 0.00 0.00 57.07 57.79 2jkx s TYR 617 Cb 0.00 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 2jkx s TYR 617 CO 0.00 0.45 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.70 2jkx s TRP 618 N -0.45 1.50 -0.22 2.71 0.52 0.42 -1.66 118.94 121.76 2jkx s TRP 618 Ca 0.26 -0.54 -0.10 0.00 0.02 0.00 0.00 56.10 55.74 2jkx s TRP 618 Cb -0.17 -0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 31.33 2jkx s TRP 618 CO 0.14 0.19 0.14 -1.64 0.02 0.00 0.00 176.95 175.79 2jkx s MET 619 N -2.71 4.13 -0.22 4.98 -1.94 0.10 -0.52 119.30 123.12 2jkx s MET 619 Ca 0.11 -0.25 -0.16 0.00 -1.71 0.00 0.00 55.69 53.68 2jkx s MET 619 Cb -0.05 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 2jkx s MET 619 CO 0.04 0.20 0.40 -1.17 -0.01 0.00 0.00 175.02 174.47 2jkx s LEU 620 N 0.65 4.12 -0.07 -0.03 2.96 0.15 -0.33 118.68 126.13 2jkx s LEU 620 Ca 0.08 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.50 2jkx s LEU 620 Cb -0.12 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 2jkx s LEU 620 CO 0.01 -0.11 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.33 2jkx s PHE 621 N 1.52 2.50 0.04 5.38 0.08 -0.38 -0.91 117.98 126.21 2jkx s PHE 621 Ca 0.18 -0.78 0.07 0.00 0.12 0.00 0.00 56.93 56.52 2jkx s PHE 621 Cb -0.15 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2jkx s PHE 621 CO 0.08 -0.25 -0.17 0.14 -0.10 0.00 0.00 175.22 174.92 2jkx s VAL 622 N -0.04 2.86 -0.08 -0.44 -7.23 -1.26 -0.89 120.40 113.32 2jkx s VAL 622 Ca -0.07 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2jkx s VAL 622 Cb -0.15 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2jkx s VAL 622 CO 0.05 0.34 -0.20 -0.04 -0.31 0.00 0.00 175.10 174.94 2jkx s MET 623 N -1.45 2.41 1.06 4.82 -1.94 -0.07 0.44 119.30 124.58 2jkx s MET 623 Ca 0.15 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 2jkx s MET 623 Cb -0.11 -1.91 0.25 0.00 2.01 0.00 0.00 34.83 35.07 2jkx s MET 623 CO 0.06 0.17 1.27 0.27 -0.01 0.00 0.00 175.02 176.78 2jkx n ASN 624 N 3.47 -0.57 0.27 3.03 0.23 -0.81 -0.58 115.26 120.30 2jkx n ASN 624 Ca -0.20 -1.39 0.11 0.00 -0.53 0.00 0.00 54.58 52.58 2jkx n ASN 624 Cb 0.52 -1.02 0.75 0.00 -2.08 0.00 0.00 39.78 37.96 2jkx n ASN 624 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2jkx h SER 625 N -2.06 0.00 0.47 0.53 4.64 -1.92 -0.32 113.55 114.89 2jkx h SER 625 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jkx h SER 625 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2jkx h SER 625 CO 0.30 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 2jkx n ALA 626 N -2.40 2.15 -0.77 5.18 0.00 -1.26 -4.89 120.51 118.52 2jkx n ALA 626 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2jkx n ALA 626 Cb 0.13 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2jkx n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jkx n GLY 627 N 0.66 0.61 3.68 0.00 0.00 -0.13 -5.03 105.19 104.98 2jkx n GLY 627 Ca 0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2jkx n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkx s VAL 628 N -2.00 4.86 0.38 1.61 1.01 -1.26 -4.82 120.40 120.18 2jkx s VAL 628 Ca 0.00 1.75 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 2jkx s VAL 628 Cb 0.00 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 2jkx s VAL 628 CO 0.00 0.02 0.92 -2.16 0.00 0.00 0.00 175.10 173.89 2jkx s PRO 629 N 2.08 4.32 1.13 2.72 0.04 -1.26 -1.92 135.00 142.11 2jkx s PRO 629 Ca 0.41 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.46 2jkx s PRO 629 Cb -0.17 -2.42 0.26 0.00 0.04 0.00 0.00 34.50 32.22 2jkx s PRO 629 CO 0.14 0.10 1.04 -1.54 0.04 0.00 0.00 177.00 176.78 2jkx s SER 630 N -2.00 1.32 0.77 6.66 1.04 0.17 -4.49 113.70 117.17 2jkx s SER 630 Ca 0.57 1.41 -0.11 0.00 0.48 0.00 0.00 55.95 58.30 2jkx s SER 630 Cb -0.12 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 63.88 2jkx s SER 630 CO 0.17 -3.97 1.08 0.68 0.98 0.00 0.00 173.24 172.18 2jkx s VAL 631 N -2.59 3.44 0.29 5.02 -7.23 -1.26 -4.72 120.40 113.34 2jkx s VAL 631 Ca 0.68 0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 61.02 2jkx s VAL 631 Cb -0.23 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.57 2jkx s VAL 631 CO 0.63 -0.61 1.18 0.00 -0.31 0.00 0.00 175.10 175.99 2jkx s ALA 632 N -2.96 3.44 -0.18 1.32 0.00 0.74 -4.79 121.76 119.34 2jkx s ALA 632 Ca 0.60 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 2jkx s ALA 632 Cb -0.16 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2jkx s ALA 632 CO 0.56 -0.35 0.21 -1.12 0.00 0.00 0.00 175.76 175.06 2jkx s SER 633 N -0.64 6.32 -0.13 0.00 0.01 -0.09 -4.87 113.70 114.30 2jkx s SER 633 Ca 0.47 0.37 -0.28 0.00 1.31 0.00 0.00 55.95 57.82 2jkx s SER 633 Cb -0.35 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2jkx s SER 633 CO 0.45 0.14 0.93 -0.89 0.41 0.00 0.00 173.24 174.28 2jkx s THR 634 N 0.40 4.83 -0.13 1.44 2.01 -1.26 0.33 115.64 123.26 2jkx s THR 634 Ca 0.12 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.01 2jkx s THR 634 Cb -0.12 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.17 2jkx s THR 634 CO 0.01 0.02 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.16 2jkx s ILE 635 N 2.02 1.66 -0.14 1.82 -1.09 0.32 -4.82 121.20 120.97 2jkx s ILE 635 Ca 0.44 -0.72 -0.22 0.00 -2.23 0.00 0.00 60.65 57.91 2jkx s ILE 635 Cb -0.18 -1.52 -0.03 0.00 -1.58 0.00 0.00 42.46 39.16 2jkx s ILE 635 CO 0.16 0.47 0.68 -0.60 -1.23 0.00 0.00 174.94 174.42 2jkx s ARG 636 N 1.10 4.32 -0.23 2.79 3.52 0.50 -0.44 118.95 130.52 2jkx s ARG 636 Ca -0.03 0.77 -0.08 0.00 -0.13 0.00 0.00 55.73 56.27 2jkx s ARG 636 Cb -0.14 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2jkx s ARG 636 CO -0.05 -0.12 0.08 0.08 -0.81 0.00 0.00 175.30 174.48 2jkx s VAL 637 N 1.48 4.59 0.44 7.11 1.01 0.45 -0.86 120.40 134.61 2jkx s VAL 637 Ca 0.33 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.28 2jkx s VAL 637 Cb -0.17 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 2jkx s VAL 637 CO 0.13 0.37 0.06 0.42 0.00 0.00 0.00 175.10 176.08 2jkx s THR 638 N 1.21 1.87 -2.16 3.92 -4.23 0.00 -1.37 115.64 114.89 2jkx s THR 638 Ca 0.05 -1.91 0.31 0.00 -1.18 0.00 0.00 61.69 58.95 2jkx s THR 638 Cb -0.14 -2.79 0.80 0.00 1.34 0.00 0.00 72.50 71.71 2jkx s THR 638 CO 0.04 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.20