#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn s PRO 2 N 0.00 -1.58 0.60 1.61 0.04 -1.26 -4.91 135.00 129.50 1jkn s PRO 2 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1jkn s PRO 2 Cb 0.00 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.97 1jkn s PRO 2 CO 0.00 -3.92 0.00 1.28 0.04 0.00 0.00 177.00 174.40 1jkn n LEU 3 N -4.88 -1.27 0.00 -3.56 4.77 -1.26 -5.04 117.00 105.76 1jkn n LEU 3 Ca 0.15 2.54 0.00 0.00 -0.03 0.00 0.00 56.01 58.67 1jkn n LEU 3 Cb 0.60 -2.99 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1jkn n LEU 3 CO 0.42 -1.56 0.00 0.61 -1.33 0.00 0.00 177.39 175.53 1jkn n GLY 4 N -3.59 0.43 0.00 -0.72 0.00 -1.26 -4.98 105.19 95.07 1jkn n GLY 4 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 5 N 0.00 0.46 0.00 1.61 2.88 -1.26 -4.84 113.62 112.47 1jkn n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jkn n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jkn n SER 5 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1jkn n MET 6 N 0.00 0.00 -1.64 -1.46 2.81 0.71 -4.98 117.12 112.56 1jkn n MET 6 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1jkn n MET 6 Cb 0.00 -0.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.77 1jkn n MET 6 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1jkn n ASP 7 N -2.47 -3.52 0.00 7.83 -0.08 -1.21 -4.80 116.55 112.30 1jkn n ASP 7 Ca 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1jkn n ASP 7 Cb 0.38 -2.22 0.00 0.00 2.34 0.00 0.00 41.12 41.62 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jkn n SER 8 N 0.57 0.00 -4.60 1.67 7.64 -1.26 -4.72 113.62 112.92 1jkn n SER 8 Ca -0.09 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.36 1jkn n SER 8 Cb 0.40 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jkn s PRO 9 N 0.00 3.22 0.38 1.43 0.04 -1.26 -4.85 135.00 133.95 1jkn s PRO 9 Ca 0.00 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 1jkn s PRO 9 Cb 0.00 -4.28 0.09 0.00 0.04 0.00 0.00 34.50 30.35 1jkn s PRO 9 CO 0.00 -2.00 0.37 -2.30 0.04 0.00 0.00 177.00 173.11 1jkn n PRO 10 N 8.59 -1.40 -3.36 0.56 -0.02 -1.26 -5.04 135.00 133.07 1jkn n PRO 10 Ca 0.26 -0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 60.82 1jkn n PRO 10 Cb 0.46 -0.51 -0.06 0.00 -0.02 0.00 0.00 33.50 33.38 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkn s GLU 11 N -3.83 3.89 0.00 -0.52 8.01 -1.26 -4.11 118.70 120.88 1jkn s GLU 11 Ca 0.23 0.40 0.00 0.00 0.01 0.00 0.00 54.97 55.61 1jkn s GLU 11 Cb -0.02 -2.74 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1jkn s GLU 11 CO 0.17 0.36 0.00 0.41 0.01 0.00 0.00 175.26 176.22 1jkn n GLY 12 N 0.21 3.00 3.84 -1.39 0.00 -1.26 -5.00 105.19 104.58 1jkn n GLY 12 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -2.48 3.71 0.35 1.61 2.02 -1.26 -2.81 117.35 118.50 1jkn s TYR 13 Ca 0.00 0.95 -0.12 0.00 -0.37 0.00 0.00 57.07 57.53 1jkn s TYR 13 Cb 0.00 -2.25 -0.07 0.00 -0.40 0.00 0.00 41.96 39.23 1jkn s TYR 13 CO 0.00 0.65 0.73 -0.98 -1.57 0.00 0.00 175.55 174.38 1jkn s ARG 14 N -1.11 3.86 0.16 -0.62 1.70 -1.02 -4.69 118.95 117.23 1jkn s ARG 14 Ca 0.23 0.51 -0.31 0.00 -0.47 0.00 0.00 55.73 55.69 1jkn s ARG 14 Cb -0.16 -2.44 -0.11 0.00 -0.57 0.00 0.00 34.95 31.67 1jkn s ARG 14 CO 0.13 0.08 1.68 1.03 -1.08 0.00 0.00 175.30 177.14 1jkn s ARG 15 N -3.41 4.17 0.11 3.89 1.81 -1.26 -3.03 118.95 121.22 1jkn s ARG 15 Ca 0.52 2.49 -0.15 0.00 -1.72 0.00 0.00 55.73 56.86 1jkn s ARG 15 Cb -0.10 -3.27 0.03 0.00 -0.45 0.00 0.00 34.95 31.16 1jkn s ARG 15 CO 0.25 -0.72 0.37 1.21 -0.68 0.00 0.00 175.30 175.73 1jkn s ASN 16 N 1.63 -0.19 -0.00 0.23 3.84 -1.22 -0.69 114.94 118.53 1jkn s ASN 16 Ca 0.74 -0.33 0.02 0.00 0.21 0.00 0.00 52.86 53.50 1jkn s ASN 16 Cb -0.46 0.45 -0.01 0.00 -0.55 0.00 0.00 41.25 40.68 1jkn s ASN 16 CO 0.33 -0.81 -0.07 0.68 -2.79 0.00 0.00 177.10 174.43 1jkn s VAL 17 N -3.67 0.53 0.08 -5.21 -7.23 -0.26 -3.56 120.40 101.09 1jkn s VAL 17 Ca 0.02 -0.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1jkn s VAL 17 Cb 0.02 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1jkn s VAL 17 CO -0.11 0.12 0.03 -0.83 -0.31 0.00 0.00 175.10 174.00 1jkn s GLY 18 N -0.24 1.96 -0.28 2.32 0.00 -1.23 -1.96 107.32 107.88 1jkn s GLY 18 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1jkn s GLY 18 CO -0.00 -1.03 0.04 -0.42 0.00 0.00 0.00 173.10 171.69 1jkn s ILE 19 N -1.32 1.27 -0.52 0.90 1.09 -0.23 -1.00 121.20 121.39 1jkn s ILE 19 Ca 0.26 -1.43 -0.22 0.00 -1.10 0.00 0.00 60.65 58.16 1jkn s ILE 19 Cb -0.12 -1.82 0.04 0.00 -1.06 0.00 0.00 42.46 39.51 1jkn s ILE 19 CO 0.19 -0.46 0.79 0.00 -0.10 0.00 0.00 174.94 175.37 1jkn s LEU 21 N 3.34 4.03 0.14 0.00 2.96 -1.26 0.18 118.68 128.06 1jkn s LEU 21 Ca 0.24 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1jkn s LEU 21 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1jkn s LEU 21 CO 0.17 0.28 -0.12 0.00 -1.32 0.00 0.00 176.35 175.36 1jkn s MET 22 N -1.71 1.04 0.41 1.98 0.23 0.09 0.99 119.30 122.32 1jkn s MET 22 Ca 0.23 -1.34 0.08 0.00 -1.03 0.00 0.00 55.69 53.62 1jkn s MET 22 Cb -0.12 -0.75 -0.03 0.00 -1.53 0.00 0.00 34.83 32.39 1jkn s MET 22 CO 0.14 0.12 0.29 0.54 -2.03 0.00 0.00 175.02 174.08 1jkn s ASN 23 N -2.82 4.78 0.57 -1.18 2.20 -0.87 -1.72 114.94 115.91 1jkn s ASN 23 Ca 0.13 -0.88 0.22 0.00 -0.94 0.00 0.00 52.86 51.38 1jkn s ASN 23 Cb -0.01 -0.54 1.18 0.00 -2.00 0.00 0.00 41.25 39.87 1jkn s ASN 23 CO 0.02 -0.59 1.63 -1.13 -2.94 0.00 0.00 177.10 174.09 1jkn h ASN 24 N 1.21 0.00 -0.06 3.54 -0.73 -1.92 0.82 115.58 118.44 1jkn h ASN 24 Ca -0.42 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.75 1jkn h ASN 24 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 1jkn h ASN 24 CO 0.63 0.00 0.00 0.47 -0.37 0.00 0.00 177.43 178.16 1jkn n ASP 25 N -2.61 1.41 -0.71 1.15 9.92 -1.26 -4.91 116.55 119.53 1jkn n ASP 25 Ca -0.01 -1.53 -0.07 0.00 -0.53 0.00 0.00 54.79 52.65 1jkn n ASP 25 Cb 0.45 -0.03 -0.01 0.00 -0.64 0.00 0.00 41.12 40.88 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1jkn n LYS 26 N 0.11 -0.53 -2.97 -1.24 5.02 0.28 -5.04 118.16 113.79 1jkn n LYS 26 Ca 0.18 0.46 -0.19 0.00 -2.02 0.00 0.00 58.31 56.74 1jkn n LYS 26 Cb 0.32 -4.32 0.05 0.00 -0.02 0.00 0.00 35.03 31.06 1jkn n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jkn s LYS 27 N -3.81 2.45 -0.17 1.97 1.02 -1.24 -4.82 119.74 115.13 1jkn s LYS 27 Ca 0.00 -1.42 -0.03 0.00 0.02 0.00 0.00 55.97 54.54 1jkn s LYS 27 Cb 0.00 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1jkn s LYS 27 CO 0.00 -0.70 -0.05 0.42 -0.92 0.00 0.00 175.35 174.10 1jkn s ILE 28 N -2.60 3.56 -0.25 2.17 1.09 0.21 -2.04 121.20 123.33 1jkn s ILE 28 Ca 0.60 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 59.40 1jkn s ILE 28 Cb -0.07 -2.57 -0.06 0.00 -1.06 0.00 0.00 42.46 38.69 1jkn s ILE 28 CO 0.37 0.47 2.23 0.33 -0.10 0.00 0.00 174.94 178.25 1jkn n PHE 29 N 3.99 1.88 -4.97 3.97 -0.00 0.28 -2.77 117.46 119.84 1jkn n PHE 29 Ca -0.18 -0.05 -0.32 0.00 -0.00 0.00 0.00 57.45 56.90 1jkn n PHE 29 Cb 0.52 -2.69 -0.16 0.00 -0.00 0.00 0.00 39.48 37.15 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jkn s ALA 30 N 8.35 2.40 -0.05 3.13 0.00 -0.40 -4.62 121.76 130.57 1jkn s ALA 30 Ca 1.02 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.10 1jkn s ALA 30 Cb -0.42 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1jkn s ALA 30 CO 0.37 0.25 -0.21 0.00 0.00 0.00 0.00 175.76 176.17 1jkn s ALA 31 N 0.38 2.35 0.50 0.00 0.00 -0.60 0.80 121.76 125.19 1jkn s ALA 31 Ca -0.14 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1jkn s ALA 31 Cb -0.17 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 1jkn s ALA 31 CO 0.07 0.48 0.92 -1.54 0.00 0.00 0.00 175.76 175.69 1jkn s SER 32 N -0.45 6.49 0.75 0.00 1.04 0.46 -0.73 113.70 121.27 1jkn s SER 32 Ca 0.05 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 1jkn s SER 32 Cb -0.12 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO 0.01 -0.59 1.08 -0.13 0.98 0.00 0.00 173.24 174.60 1jkn s ARG 33 N -4.27 2.48 0.00 4.02 0.52 0.46 -2.18 118.95 119.98 1jkn s ARG 33 Ca 0.55 1.11 0.25 0.00 -0.52 0.00 0.00 55.73 57.12 1jkn s ARG 33 Cb -0.10 -1.93 0.47 0.00 0.52 0.00 0.00 34.95 33.91 1jkn s ARG 33 CO 0.37 -1.47 1.39 1.28 0.02 0.00 0.00 175.30 176.89 1jkn n LEU 34 N -3.37 1.26 0.00 2.53 4.77 -0.83 -4.06 117.00 117.30 1jkn n LEU 34 Ca 0.09 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1jkn n LEU 34 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jkn n LEU 34 CO 0.54 0.24 -0.28 0.47 -1.33 0.00 0.00 177.39 177.03 1jkn n ASP 35 N -0.59 2.78 -4.08 -1.43 9.92 -1.26 -4.98 116.55 116.91 1jkn n ASP 35 Ca 0.10 -0.02 -0.32 0.00 -0.53 0.00 0.00 54.79 54.02 1jkn n ASP 35 Cb 0.38 0.60 -0.15 0.00 -0.64 0.00 0.00 41.12 41.31 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jkn s ILE 36 N -1.16 2.13 0.19 0.53 1.01 -1.26 -5.10 121.20 117.55 1jkn s ILE 36 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 60.65 58.89 1jkn s ILE 36 Cb 0.00 -2.16 -0.10 0.00 0.01 0.00 0.00 42.46 40.21 1jkn s ILE 36 CO 0.00 0.12 1.50 -2.16 0.00 0.00 0.00 174.94 174.40 1jkn s PRO 37 N 1.15 4.25 0.00 2.79 0.04 -1.26 -1.92 135.00 140.05 1jkn s PRO 37 Ca -0.05 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.07 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.98 1jkn n ASP 38 N 3.40 -1.12 -4.45 6.66 -0.08 -1.26 -4.97 116.55 114.73 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.96 1jkn n ASP 38 Cb 0.40 -0.52 -0.03 0.00 2.34 0.00 0.00 41.12 43.30 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jkn s ALA 39 N -3.03 3.18 0.19 -1.67 0.00 -0.81 -4.96 121.76 114.65 1jkn s ALA 39 Ca 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 51.96 49.90 1jkn s ALA 39 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1jkn s ALA 39 CO 0.00 -2.84 0.25 -1.58 0.00 0.00 0.00 175.76 171.59 1jkn s TRP 40 N 3.69 3.33 0.10 0.00 0.52 -1.26 0.17 118.94 125.50 1jkn s TRP 40 Ca 0.25 0.02 -0.26 0.00 0.02 0.00 0.00 56.10 56.12 1jkn s TRP 40 Cb -0.14 -1.56 0.08 0.00 -1.15 0.00 0.00 33.47 30.70 1jkn s TRP 40 CO 0.04 0.50 1.03 1.14 0.02 0.00 0.00 176.95 179.68 1jkn s GLN 41 N -3.44 1.00 0.30 4.98 -2.07 0.09 -4.43 119.66 116.09 1jkn s GLN 41 Ca 0.33 -0.54 -0.03 0.00 -1.82 0.00 0.00 55.36 53.30 1jkn s GLN 41 Cb -0.10 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1jkn s GLN 41 CO 0.27 -0.46 0.55 -1.64 -1.32 0.00 0.00 175.29 172.69 1jkn s MET 42 N -3.09 3.58 0.01 9.60 -1.94 -1.26 -1.55 119.30 124.65 1jkn s MET 42 Ca 0.12 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.70 1jkn s MET 42 Cb -0.00 -2.65 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 1jkn s MET 42 CO 0.00 0.19 1.51 -1.25 -0.01 0.00 0.00 175.02 175.47 1jkn s PRO 43 N -3.77 4.24 0.10 2.03 0.04 -1.26 -4.93 135.00 131.46 1jkn s PRO 43 Ca 0.43 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.40 1jkn s PRO 43 Cb -0.10 -3.64 0.04 0.00 0.04 0.00 0.00 34.50 30.84 1jkn s PRO 43 CO 0.32 -0.67 0.43 1.14 0.04 0.00 0.00 177.00 178.26 1jkn s GLN 44 N 2.71 1.05 -0.10 4.56 -2.07 -1.26 -1.07 119.66 123.48 1jkn s GLN 44 Ca 0.68 -0.58 -0.30 0.00 -1.82 0.00 0.00 55.36 53.35 1jkn s GLN 44 Cb -0.34 0.47 0.12 0.00 -1.09 0.00 0.00 33.01 32.16 1jkn s GLN 44 CO 0.28 -0.40 0.95 0.20 -1.32 0.00 0.00 175.29 175.00 1jkn s GLY 45 N -2.56 -0.35 0.33 2.60 0.00 -0.83 -4.93 107.32 101.58 1jkn s GLY 45 Ca 0.00 1.65 -0.29 0.00 0.00 0.00 0.00 44.72 46.08 1jkn s GLY 45 CO -0.09 0.79 1.56 -0.32 0.00 0.00 0.00 173.10 175.03 1jkn s GLY 46 N -1.58 2.48 0.90 0.20 0.00 -1.26 -1.10 107.32 106.96 1jkn s GLY 46 Ca 0.00 1.59 -0.11 0.00 0.00 0.00 0.00 44.72 46.21 1jkn s GLY 46 CO -0.01 2.44 1.11 -0.42 0.00 0.00 0.00 173.10 176.22 1jkn s ILE 47 N -0.51 2.51 0.21 0.90 1.01 0.13 -4.81 121.20 120.63 1jkn s ILE 47 Ca 0.59 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 1jkn s ILE 47 Cb -0.48 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1jkn s ILE 47 CO 0.55 -0.21 0.57 -1.81 0.00 0.00 0.00 174.94 174.04 1jkn s ASP 48 N -2.97 6.72 -0.70 3.58 1.01 -1.26 -4.87 116.67 118.18 1jkn s ASP 48 Ca 0.65 1.02 -0.27 0.00 0.71 0.00 0.00 52.55 54.66 1jkn s ASP 48 Cb -0.21 -2.27 -0.14 0.00 1.01 0.00 0.00 42.92 41.32 1jkn s ASP 48 CO 0.58 -0.02 2.50 -1.84 0.21 0.00 0.00 175.17 176.60 1jkn n GLU 49 N 0.22 0.62 -1.38 8.23 0.00 -1.26 0.21 120.64 127.28 1jkn n GLU 49 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1jkn n GLU 49 Cb 0.52 -2.73 0.00 0.00 0.00 0.00 0.00 31.44 29.23 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jkn n GLY 50 N 6.21 0.99 3.43 -1.84 0.00 -1.26 -5.08 105.19 107.64 1jkn n GLY 50 Ca 0.49 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1jkn n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkn s GLU 51 N -2.92 2.22 0.36 1.61 2.12 0.13 -5.12 118.70 117.10 1jkn s GLU 51 Ca 0.00 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.19 1jkn s GLU 51 Cb 0.00 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 32.08 1jkn s GLU 51 CO 0.00 0.57 1.13 0.34 -0.54 0.00 0.00 175.26 176.76 1jkn s ASP 52 N -1.02 6.83 0.16 -1.70 2.15 -1.26 -4.69 116.67 117.15 1jkn s ASP 52 Ca 0.13 2.28 -0.16 0.00 0.43 0.00 0.00 52.55 55.22 1jkn s ASP 52 Cb -0.10 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.99 1jkn s ASP 52 CO 0.02 -0.45 1.71 -0.65 -0.17 0.00 0.00 175.17 175.63 1jkn h PRO 53 N 3.04 0.12 0.00 4.34 0.11 -1.98 0.72 132.00 138.36 1jkn h PRO 53 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1jkn h PRO 53 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jkn h PRO 53 CO 0.64 0.08 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.25 1jkn h ARG 54 N 0.12 0.00 0.06 1.05 2.43 -1.92 -1.75 114.38 114.37 1jkn h ARG 54 Ca 0.18 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 1jkn h ARG 54 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1jkn h ARG 54 CO -0.28 0.17 -0.94 -0.97 -1.51 0.00 0.00 179.97 176.43 1jkn h ASN 55 N 0.00 0.20 -0.31 -3.80 -1.24 -1.58 -2.90 115.58 105.96 1jkn h ASN 55 Ca -0.00 -0.82 0.05 0.00 0.71 0.00 0.00 56.30 56.24 1jkn h ASN 55 Cb 0.41 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 1jkn h ASN 55 CO 0.02 1.40 0.21 0.00 -1.29 0.00 0.00 177.43 177.77 1jkn h ALA 56 N -0.13 2.03 0.12 1.57 0.00 0.50 0.96 119.26 124.31 1jkn h ALA 56 Ca -0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jkn h ALA 56 Cb 1.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1jkn h ALA 56 CO -0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.09 1jkn h ALA 57 N 1.84 -0.16 -0.43 0.00 0.00 -1.43 0.81 119.26 119.88 1jkn h ALA 57 Ca 0.13 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1jkn h ALA 57 Cb 0.28 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jkn h ALA 57 CO -0.02 -0.26 0.31 0.82 0.00 0.00 0.00 179.25 180.09 1jkn h ILE 58 N -0.83 0.80 0.00 0.00 2.04 -1.22 0.38 117.51 118.68 1jkn h ILE 58 Ca -0.02 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1jkn h ILE 58 Cb 0.55 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1jkn h ILE 58 CO 0.03 0.01 -0.19 -0.09 0.00 0.00 0.00 178.15 177.91 1jkn h ARG 59 N 0.04 0.00 -0.98 2.37 2.43 -0.79 -3.33 114.38 114.12 1jkn h ARG 59 Ca 0.21 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.54 1jkn h ARG 59 Cb 0.77 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.23 1jkn h ARG 59 CO -0.01 0.68 0.61 0.93 -1.51 0.00 0.00 179.97 180.67 1jkn h GLU 60 N -1.00 0.76 0.37 0.20 4.39 0.13 -2.36 114.58 117.07 1jkn h GLU 60 Ca -0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1jkn h GLU 60 Cb 0.75 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1jkn h GLU 60 CO -0.03 0.50 -0.39 1.25 -1.16 0.00 0.00 179.01 179.18 1jkn h LEU 61 N 0.78 -1.07 -0.69 1.33 5.85 -0.41 0.68 115.31 121.78 1jkn h LEU 61 Ca 0.53 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.34 1jkn h LEU 61 Cb 0.79 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1jkn h LEU 61 CO -0.30 -0.53 0.00 -2.11 -0.34 0.00 0.00 178.44 175.15 1jkn n ARG 62 N -5.49 0.08 -0.04 1.25 1.85 -0.93 0.11 116.66 113.49 1jkn n ARG 62 Ca -0.10 0.54 -0.22 0.00 -1.00 0.00 0.00 57.85 57.07 1jkn n ARG 62 Cb 0.39 -1.73 -0.13 0.00 -1.05 0.00 0.00 32.46 29.94 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1jkn n GLU 63 N -1.89 0.70 0.03 2.89 1.02 0.30 -0.73 120.64 122.96 1jkn n GLU 63 Ca -0.00 0.31 0.01 0.00 -0.02 0.00 0.00 57.16 57.46 1jkn n GLU 63 Cb 0.04 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.69 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.69 0.63 -0.00 3.49 -0.58 0.21 -3.73 120.64 116.97 1jkn n GLU 64 Ca -0.35 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 56.58 1jkn n GLU 64 Cb 0.96 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1jkn n THR 65 N -2.82 0.03 -0.93 2.62 -2.24 0.30 -4.62 114.28 106.62 1jkn n THR 65 Ca -0.10 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1jkn n THR 65 Cb 0.82 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1jkn n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 66 N 2.41 0.52 3.70 3.38 0.00 -0.61 0.01 105.19 114.61 1jkn n GLY 66 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1jkn n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkn s VAL 67 N -2.38 4.18 -0.19 1.61 1.01 -1.25 -3.98 120.40 119.41 1jkn s VAL 67 Ca 0.00 1.55 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1jkn s VAL 67 Cb 0.00 -3.99 -0.17 0.00 0.00 0.00 0.00 36.38 32.22 1jkn s VAL 67 CO 0.00 0.07 -0.06 0.35 0.00 0.00 0.00 175.10 175.46 1jkn n THR 68 N 4.19 1.16 -2.97 3.92 -2.24 -1.26 -3.71 114.28 113.37 1jkn n THR 68 Ca 0.09 -0.58 -0.44 0.00 -2.27 0.00 0.00 64.05 60.85 1jkn n THR 68 Cb 0.47 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1jkn n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jkn s SER 69 N -5.52 7.02 -0.14 3.42 0.01 -1.26 -4.92 113.70 112.31 1jkn s SER 69 Ca -0.18 -2.90 -0.08 0.00 1.31 0.00 0.00 55.95 54.11 1jkn s SER 69 Cb 0.06 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1jkn s SER 69 CO 0.58 -0.76 0.34 0.00 0.41 0.00 0.00 173.24 173.81 1jkn s ALA 70 N 1.56 -0.84 0.10 1.44 0.00 -1.26 0.94 121.76 123.70 1jkn s ALA 70 Ca 0.40 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO -0.02 -0.23 -0.26 -1.83 0.00 0.00 0.00 175.76 173.42 1jkn s GLU 71 N 1.26 1.55 -0.15 0.00 -1.05 -0.84 -4.89 118.70 114.58 1jkn s GLU 71 Ca -0.09 -1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 53.17 1jkn s GLU 71 Cb -0.09 -1.94 -0.01 0.00 -0.44 0.00 0.00 34.13 31.66 1jkn s GLU 71 CO -0.10 0.47 1.06 0.08 0.95 0.00 0.00 175.26 177.72 1jkn s VAL 72 N -0.98 4.65 -0.04 1.83 1.01 -1.25 0.13 120.40 125.74 1jkn s VAL 72 Ca 0.13 1.95 0.19 0.00 0.00 0.00 0.00 61.98 64.25 1jkn s VAL 72 Cb -0.10 -4.26 -0.29 0.00 0.00 0.00 0.00 36.38 31.74 1jkn s VAL 72 CO 0.05 -0.08 0.38 -0.38 0.00 0.00 0.00 175.10 175.07 1jkn n ILE 73 N 4.93 0.09 -3.67 2.22 2.08 0.25 -4.90 119.36 120.37 1jkn n ILE 73 Ca 0.11 -0.45 -0.10 0.00 0.56 0.00 0.00 62.75 62.86 1jkn n ILE 73 Cb 0.47 0.02 -0.04 0.00 -0.75 0.00 0.00 39.64 39.34 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jkn s ALA 74 N -3.23 -0.99 -0.18 -1.39 0.00 -1.14 -4.95 121.76 109.88 1jkn s ALA 74 Ca -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1jkn s ALA 74 Cb 0.11 0.80 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1jkn s ALA 74 CO 0.78 -0.74 0.30 -1.83 0.00 0.00 0.00 175.76 174.27 1jkn s GLU 75 N -3.84 0.22 0.15 0.00 4.04 -1.26 0.96 118.70 118.98 1jkn s GLU 75 Ca 0.06 0.64 -0.33 0.00 0.04 0.00 0.00 54.97 55.38 1jkn s GLU 75 Cb 0.00 -0.30 -0.13 0.00 0.02 0.00 0.00 34.13 33.72 1jkn s GLU 75 CO -0.07 -0.43 1.68 0.28 -1.84 0.00 0.00 175.26 174.88 1jkn n VAL 76 N 5.35 0.10 0.60 1.83 0.31 -0.44 -4.87 118.33 121.23 1jkn n VAL 76 Ca -0.06 -0.02 0.09 0.00 -0.01 0.00 0.00 64.34 64.35 1jkn n VAL 76 Cb 0.50 -1.78 0.41 0.00 -0.91 0.00 0.00 33.84 32.06 1jkn n VAL 76 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jkn n PRO 77 N 4.17 0.04 -4.27 5.55 -0.04 -1.26 -4.77 135.00 134.42 1jkn n PRO 77 Ca 0.17 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.70 1jkn n PRO 77 Cb 0.32 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 1jkn n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jkn s TYR 78 N -3.04 1.34 0.22 0.54 -0.85 -1.26 -4.83 117.35 109.46 1jkn s TYR 78 Ca 0.08 -0.77 -0.14 0.00 -0.52 0.00 0.00 57.07 55.72 1jkn s TYR 78 Cb 0.12 -0.69 -0.08 0.00 0.38 0.00 0.00 41.96 41.69 1jkn s TYR 78 CO 0.36 0.09 0.62 -1.58 -1.52 0.00 0.00 175.55 173.51 1jkn s TRP 79 N -3.31 3.52 -0.22 -3.49 0.52 -1.26 -4.66 118.94 110.03 1jkn s TRP 79 Ca 0.19 1.10 -0.02 0.00 0.02 0.00 0.00 56.10 57.40 1jkn s TRP 79 Cb 0.03 -2.42 0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1jkn s TRP 79 CO 0.02 0.31 -0.09 -0.51 0.02 0.00 0.00 176.95 176.70 1jkn s LEU 80 N -2.38 2.86 -0.12 2.99 1.43 0.54 -0.21 118.68 123.80 1jkn s LEU 80 Ca 0.44 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1jkn s LEU 80 Cb -0.13 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1jkn s LEU 80 CO 0.20 -0.07 -0.14 0.42 0.23 0.00 0.00 176.35 176.99 1jkn s THR 81 N 1.36 2.97 0.21 5.49 -4.23 -1.26 -1.65 115.64 118.52 1jkn s THR 81 Ca 0.03 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1jkn s THR 81 Cb -0.15 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 1jkn s THR 81 CO -0.06 0.53 0.01 -0.72 -0.54 0.00 0.00 174.62 173.85 1jkn s TYR 82 N 0.26 1.38 0.20 3.99 1.13 -1.26 -4.98 117.35 118.07 1jkn s TYR 82 Ca -0.10 -1.01 0.09 0.00 -1.41 0.00 0.00 57.07 54.64 1jkn s TYR 82 Cb -0.16 -0.80 -0.05 0.00 -1.10 0.00 0.00 41.96 39.86 1jkn s TYR 82 CO 0.06 -0.17 -0.17 -0.51 -2.51 0.00 0.00 175.55 172.25 1jkn s ASP 83 N -3.24 2.79 0.17 -0.18 1.01 -1.26 -3.59 116.67 112.37 1jkn s ASP 83 Ca 0.28 -0.97 0.04 0.00 0.71 0.00 0.00 52.55 52.61 1jkn s ASP 83 Cb 0.06 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 1jkn s ASP 83 CO 0.07 -0.09 0.21 -0.36 0.21 0.00 0.00 175.17 175.21 1jkn s PHE 84 N -2.57 3.29 1.21 4.23 0.08 -1.25 -4.87 117.98 118.11 1jkn s PHE 84 Ca 0.21 0.03 -0.15 0.00 0.12 0.00 0.00 56.93 57.15 1jkn s PHE 84 Cb -0.03 -1.57 0.30 0.00 -0.57 0.00 0.00 43.02 41.15 1jkn s PHE 84 CO 0.08 0.51 1.02 -1.25 -0.10 0.00 0.00 175.22 175.48 1jkn s PRO 85 N -3.23 -1.25 0.44 0.24 0.04 -1.26 -4.32 135.00 125.66 1jkn s PRO 85 Ca 0.33 0.63 0.30 0.00 0.04 0.00 0.00 61.00 62.30 1jkn s PRO 85 Cb -0.10 -1.53 1.50 0.00 0.04 0.00 0.00 34.50 34.41 1jkn s PRO 85 CO 0.26 -3.89 1.92 -1.00 0.04 0.00 0.00 177.00 174.32 1jkn h PRO 86 N -2.73 0.00 0.04 0.56 0.13 -1.99 0.64 132.00 128.64 1jkn h PRO 86 Ca -0.59 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.21 1jkn h PRO 86 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.48 0.00 -1.95 1.17 -0.23 0.00 0.00 178.00 177.47 1jkn n LYS 87 N -2.61 0.68 -0.04 0.86 3.00 -1.26 -3.10 118.16 115.69 1jkn n LYS 87 Ca -0.01 0.23 -0.18 0.00 -0.00 0.00 0.00 58.31 58.35 1jkn n LYS 87 Cb 0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 35.03 33.32 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1jkn h VAL 88 N 0.02 1.40 -0.40 3.15 2.07 -1.75 -2.23 116.25 118.52 1jkn h VAL 88 Ca -0.39 -2.35 0.02 0.00 0.82 0.00 0.00 66.70 64.80 1jkn h VAL 88 Cb 2.05 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 34.75 1jkn h VAL 88 CO 0.06 0.58 0.23 -0.09 0.02 0.00 0.00 177.57 178.37 1jkn h ARG 89 N -0.76 0.45 0.00 1.57 2.43 0.08 0.75 114.38 118.90 1jkn h ARG 89 Ca -0.16 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1jkn h ARG 89 Cb 1.32 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1jkn h ARG 89 CO -0.01 0.30 -0.27 1.49 -1.51 0.00 0.00 179.97 179.96 1jkn h GLU 90 N 0.46 0.00 0.05 0.20 4.81 -1.68 -1.96 114.58 116.47 1jkn h GLU 90 Ca 0.16 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1jkn h GLU 90 Cb 0.02 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jkn h GLU 90 CO -0.08 0.27 -0.44 -0.22 -0.73 0.00 0.00 179.01 177.81 1jkn h LYS 91 N 0.00 0.21 -0.41 1.92 3.64 -0.51 -3.32 116.57 118.10 1jkn h LYS 91 Ca -0.00 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1jkn h LYS 91 Cb 0.56 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1jkn h LYS 91 CO 0.04 1.08 0.21 -0.07 -2.27 0.00 0.00 179.45 178.44 1jkn h LEU 92 N -0.52 0.32 -1.74 5.20 3.38 0.59 0.68 115.31 123.22 1jkn h LEU 92 Ca -0.07 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.29 1jkn h LEU 92 Cb 1.28 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1jkn h LEU 92 CO 0.08 0.23 0.89 0.78 0.09 0.00 0.00 178.44 180.51 1jkn h ASN 93 N 0.43 0.15 0.01 -0.43 -0.26 -1.46 1.75 115.58 115.77 1jkn h ASN 93 Ca 0.17 0.05 -0.39 0.00 -0.56 0.00 0.00 56.30 55.57 1jkn h ASN 93 Cb 0.06 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.29 1jkn h ASN 93 CO -0.11 -0.01 -2.14 -0.38 -1.06 0.00 0.00 177.43 173.73 1jkn n ILE 94 N -4.35 1.54 0.16 2.81 5.41 -0.49 -2.82 119.36 121.64 1jkn n ILE 94 Ca 0.30 -0.33 -0.12 0.00 1.00 0.00 0.00 62.75 63.60 1jkn n ILE 94 Cb 1.30 -1.86 -0.07 0.00 -0.71 0.00 0.00 39.64 38.30 1jkn n ILE 94 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1jkn h GLN 95 N -0.80 -0.45 0.03 0.38 1.08 0.12 -3.30 115.11 112.16 1jkn h GLN 95 Ca -0.57 0.03 -0.21 0.00 -1.45 0.00 0.00 58.65 56.45 1jkn h GLN 95 Cb 1.59 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 29.11 1jkn h GLN 95 CO -0.29 -0.12 -0.97 -1.49 -0.95 0.00 0.00 178.83 175.01 1jkn h TRP 96 N -0.92 0.20 -1.33 2.96 4.06 0.22 -3.48 115.95 117.66 1jkn h TRP 96 Ca -0.05 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 1jkn h TRP 96 Cb 0.53 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.03 1.01 -0.10 0.41 -3.56 0.00 0.00 178.44 176.24 1jkn n GLY 97 N 1.13 0.56 3.29 1.49 0.00 0.14 -4.97 105.19 106.82 1jkn n GLY 97 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -2.98 2.65 -0.45 1.61 0.01 -1.24 -4.98 113.70 108.31 1jkn s SER 98 Ca 0.06 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb -0.03 -0.19 0.46 0.00 0.21 0.00 0.00 66.02 66.48 1jkn s SER 98 CO 0.08 0.13 1.58 -0.67 0.41 0.00 0.00 173.24 174.76 1jkn n ASP 99 N 1.44 5.80 -4.82 2.44 2.03 -1.26 -3.83 116.55 118.35 1jkn n ASP 99 Ca -0.18 -3.77 -0.31 0.00 0.52 0.00 0.00 54.79 51.05 1jkn n ASP 99 Cb 0.53 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1jkn s TRP 100 N -3.65 3.29 0.21 -0.67 0.52 -1.26 -5.01 118.94 112.36 1jkn s TRP 100 Ca 0.56 0.13 0.09 0.00 0.02 0.00 0.00 56.10 56.90 1jkn s TRP 100 Cb 0.45 -1.66 0.14 0.00 -1.15 0.00 0.00 33.47 31.25 1jkn s TRP 100 CO 0.02 0.54 1.48 0.87 0.02 0.00 0.00 176.95 179.88 1jkn h LYS 101 N 3.22 0.00 0.00 4.98 6.56 -1.91 -3.49 116.57 125.93 1jkn h LYS 101 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jkn h LYS 101 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1jkn h LYS 101 CO 0.69 0.76 0.00 0.41 -2.06 0.00 0.00 179.45 179.25 1jkn n GLY 102 N 0.69 2.02 3.59 3.86 0.00 -1.26 -3.78 105.19 110.30 1jkn n GLY 102 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1jkn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jkn s GLN 103 N 3.82 0.59 -0.54 1.61 1.03 -1.24 -2.44 119.66 122.50 1jkn s GLN 103 Ca 0.00 1.29 -0.25 0.00 0.04 0.00 0.00 55.36 56.44 1jkn s GLN 103 Cb 0.00 0.49 0.04 0.00 0.03 0.00 0.00 33.01 33.57 1jkn s GLN 103 CO 0.00 -0.18 0.95 0.00 -2.54 0.00 0.00 175.29 173.52 1jkn s ALA 104 N 2.31 3.16 0.10 2.60 0.00 -1.17 -4.05 121.76 124.71 1jkn s ALA 104 Ca -0.07 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.83 1jkn s ALA 104 Cb -0.09 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1jkn s ALA 104 CO -0.18 -2.35 -0.17 1.14 0.00 0.00 0.00 175.76 174.19 1jkn s GLN 105 N 3.98 1.86 -0.53 0.00 -2.07 -0.66 -3.44 119.66 118.81 1jkn s GLN 105 Ca 0.32 -1.13 -0.06 0.00 -1.82 0.00 0.00 55.36 52.67 1jkn s GLN 105 Cb -0.12 -2.14 0.14 0.00 -1.09 0.00 0.00 33.01 29.79 1jkn s GLN 105 CO 0.21 0.49 0.37 0.15 -1.32 0.00 0.00 175.29 175.19 1jkn s LYS 106 N -2.04 2.47 0.51 9.60 -0.14 -1.23 -0.34 119.74 128.57 1jkn s LYS 106 Ca 0.18 -2.06 -0.23 0.00 -1.36 0.00 0.00 55.97 52.50 1jkn s LYS 106 Cb -0.11 -3.82 -0.06 0.00 -1.68 0.00 0.00 37.83 32.16 1jkn s LYS 106 CO 0.10 -1.17 1.33 -1.58 -0.76 0.00 0.00 175.35 173.27 1jkn s TRP 107 N 0.79 2.44 -0.04 3.18 0.52 -1.26 -3.52 118.94 121.06 1jkn s TRP 107 Ca 0.11 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.64 1jkn s TRP 107 Cb -0.22 -3.73 0.01 0.00 -1.15 0.00 0.00 33.47 28.38 1jkn s TRP 107 CO -0.03 -2.60 -0.10 -0.06 0.02 0.00 0.00 176.95 174.18 1jkn s PHE 108 N -1.33 1.13 0.02 -1.98 0.40 -0.17 -1.32 117.98 114.73 1jkn s PHE 108 Ca 0.68 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.38 1jkn s PHE 108 Cb -0.38 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1jkn s PHE 108 CO 0.46 -0.16 0.99 -1.17 0.70 0.00 0.00 175.22 176.04 1jkn s LEU 109 N 0.38 4.39 -0.09 -0.37 2.96 0.27 0.50 118.68 126.72 1jkn s LEU 109 Ca -0.07 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1jkn s LEU 109 Cb -0.11 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1jkn s LEU 109 CO 0.01 -0.24 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.29 1jkn s PHE 110 N 0.82 1.93 -0.25 5.38 0.40 0.47 0.87 117.98 127.60 1jkn s PHE 110 Ca 0.51 -0.83 -0.18 0.00 -0.60 0.00 0.00 56.93 55.83 1jkn s PHE 110 Cb -0.22 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1jkn s PHE 110 CO 0.28 -0.41 0.50 0.21 0.70 0.00 0.00 175.22 176.51 1jkn s LYS 111 N 0.78 4.09 0.11 0.44 2.20 0.35 -0.74 119.74 126.96 1jkn s LYS 111 Ca -0.11 0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 1jkn s LYS 111 Cb -0.16 -3.64 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1jkn s LYS 111 CO 0.02 -0.31 1.71 0.12 -0.36 0.00 0.00 175.35 176.53 1jkn s PHE 112 N 2.17 2.46 -0.25 4.03 5.36 -0.70 -1.99 117.98 129.05 1jkn s PHE 112 Ca 0.21 0.25 0.13 0.00 -0.96 0.00 0.00 56.93 56.56 1jkn s PHE 112 Cb -0.16 -4.04 0.47 0.00 -0.34 0.00 0.00 43.02 38.95 1jkn s PHE 112 CO 0.09 -4.17 1.17 0.25 -1.46 0.00 0.00 175.22 171.10 1jkn n THR 113 N 4.56 1.95 -1.03 0.12 -2.24 0.27 -4.80 114.28 113.11 1jkn n THR 113 Ca 0.16 -3.50 0.00 0.00 -2.27 0.00 0.00 64.05 58.45 1jkn n THR 113 Cb 0.39 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1jkn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 114 N -0.65 5.54 3.25 3.38 0.00 -1.20 -4.75 105.19 110.76 1jkn n GLY 114 Ca 0.28 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 1jkn n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 115 N 3.45 1.03 0.47 1.61 -0.21 -1.26 -5.00 119.66 119.75 1jkn s GLN 115 Ca 0.00 -1.23 0.15 0.00 0.02 0.00 0.00 55.36 54.29 1jkn s GLN 115 Cb 0.00 -0.95 0.80 0.00 1.00 0.00 0.00 33.01 33.86 1jkn s GLN 115 CO 0.00 0.19 1.37 -0.44 -2.12 0.00 0.00 175.29 174.29 1jkn h ASP 116 N 3.56 0.00 1.45 5.90 3.32 -2.02 0.82 116.42 129.45 1jkn h ASP 116 Ca -0.40 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.60 1jkn h ASP 116 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1jkn h ASP 116 CO 0.50 0.00 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.17 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.15 -2.03 -3.09 115.11 117.70 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 1jkn h GLN 117 Cb 0.91 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 1jkn h GLN 117 CO 0.00 0.24 -0.48 1.49 -1.93 0.00 0.00 178.83 178.15 1jkn h GLU 118 N 0.00 0.00 -6.03 1.69 4.57 0.32 -3.43 114.58 111.71 1jkn h GLU 118 Ca -0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1jkn h GLU 118 Cb 1.02 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 1jkn h GLU 118 CO 0.03 0.48 1.36 0.42 -1.18 0.00 0.00 179.01 180.12 1jkn s ILE 119 N -3.19 3.35 -0.41 2.32 1.01 -1.17 -3.82 121.20 119.30 1jkn s ILE 119 Ca 0.02 0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1jkn s ILE 119 Cb 0.09 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.94 1jkn s ILE 119 CO 0.72 -0.64 0.13 0.21 0.00 0.00 0.00 174.94 175.37 1jkn s ASN 120 N 7.95 4.55 0.66 3.58 3.04 0.10 -4.95 114.94 129.87 1jkn s ASN 120 Ca 0.75 -2.47 0.40 0.00 0.04 0.00 0.00 52.86 51.58 1jkn s ASN 120 Cb -0.16 -1.60 2.21 0.00 -1.54 0.00 0.00 41.25 40.16 1jkn s ASN 120 CO 0.26 -0.32 2.28 -0.07 -3.04 0.00 0.00 177.10 176.20 1jkn h LEU 121 N 7.19 0.00 0.71 3.21 3.38 -1.77 -1.48 115.31 126.54 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jkn h LEU 121 CO 0.58 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.70 1jkn h LEU 122 N 0.00 -0.80 0.00 1.67 -0.00 -1.83 -3.31 115.31 111.04 1jkn h LEU 122 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1jkn h LEU 122 Cb 0.14 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1jkn h LEU 122 CO -0.00 -0.57 0.00 0.61 -0.00 0.00 0.00 178.44 178.48 1jkn n GLY 123 N -1.46 1.09 1.87 0.83 0.00 -0.91 -3.25 105.19 103.35 1jkn n GLY 123 Ca -0.14 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 1jkn n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkn n ASP 124 N 0.00 6.09 -1.77 1.61 5.75 0.09 -4.71 116.55 123.60 1jkn n ASP 124 Ca 0.00 -3.05 -0.16 0.00 -0.01 0.00 0.00 54.79 51.58 1jkn n ASP 124 Cb 0.00 -1.00 -0.01 0.00 -1.03 0.00 0.00 41.12 39.08 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkn n GLY 125 N 0.23 -0.23 0.51 6.12 0.00 -1.26 -4.91 105.19 105.65 1jkn n GLY 125 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1jkn n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 126 N -0.98 0.93 -4.64 1.61 7.64 -1.26 -5.08 113.62 111.83 1jkn n SER 126 Ca -0.19 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 1jkn n SER 126 Cb 0.64 -0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1jkn s GLU 127 N -1.88 2.10 0.71 1.43 1.03 -1.26 -5.12 118.70 115.71 1jkn s GLU 127 Ca -0.09 -1.75 -0.16 0.00 0.03 0.00 0.00 54.97 53.00 1jkn s GLU 127 Cb 0.01 -1.94 0.03 0.00 -0.80 0.00 0.00 34.13 31.43 1jkn s GLU 127 CO 0.14 0.12 1.25 0.15 -1.33 0.00 0.00 175.26 175.59 1jkn s LYS 128 N -3.73 2.19 1.00 -4.83 1.02 -1.26 -4.66 119.74 109.47 1jkn s LYS 128 Ca 0.35 1.90 -0.15 0.00 0.02 0.00 0.00 55.97 58.09 1jkn s LYS 128 Cb 0.00 -1.82 0.12 0.00 -0.52 0.00 0.00 37.83 35.61 1jkn s LYS 128 CO 0.20 -1.83 0.08 -2.30 -0.92 0.00 0.00 175.35 170.58 1jkn n PRO 129 N -2.49 -1.83 0.00 -1.68 -0.02 -1.20 -4.90 135.00 122.88 1jkn n PRO 129 Ca 0.15 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1jkn n PRO 129 Cb 0.49 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1jkn n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkn n GLU 130 N -1.25 0.00 -4.25 -0.52 -0.58 -1.24 -5.03 120.64 107.76 1jkn n GLU 130 Ca 0.04 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.55 1jkn n GLU 130 Cb 0.42 -0.14 -0.07 0.00 -0.57 0.00 0.00 31.44 31.09 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1jkn s PHE 131 N -1.45 2.80 -0.04 -0.32 0.08 -1.26 -1.97 117.98 115.82 1jkn s PHE 131 Ca 0.00 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.90 1jkn s PHE 131 Cb 0.00 -1.26 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 1jkn s PHE 131 CO 0.00 0.59 0.11 0.41 -0.10 0.00 0.00 175.22 176.23 1jkn n GLY 132 N -0.89 -0.05 3.60 4.36 0.00 -0.93 -4.60 105.19 106.69 1jkn n GLY 132 Ca -0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -2.13 1.83 -0.01 1.61 0.41 -1.26 -5.00 118.70 114.16 1jkn s GLU 133 Ca -0.01 -1.47 -0.28 0.00 -0.41 0.00 0.00 54.97 52.79 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.94 1jkn s GLU 133 CO 0.18 -0.79 0.64 1.67 -0.49 0.00 0.00 175.26 176.47 1jkn s TRP 134 N -3.30 -0.60 0.15 1.61 1.48 -1.26 -0.40 118.94 116.62 1jkn s TRP 134 Ca 0.24 0.90 -0.12 0.00 -1.06 0.00 0.00 56.10 56.06 1jkn s TRP 134 Cb -0.02 0.42 0.01 0.00 -1.16 0.00 0.00 33.47 32.72 1jkn s TRP 134 CO 0.14 -0.64 0.34 0.45 -4.06 0.00 0.00 176.95 173.17 1jkn s SER 135 N -1.52 -0.05 -0.23 -2.66 0.15 0.24 -4.97 113.70 104.66 1jkn s SER 135 Ca -0.09 -0.66 -0.14 0.00 0.70 0.00 0.00 55.95 55.76 1jkn s SER 135 Cb -0.00 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1jkn s SER 135 CO 0.05 -0.89 0.34 0.26 1.20 0.00 0.00 173.24 174.20 1jkn s TRP 136 N -3.90 3.32 0.07 3.44 0.52 -1.26 -1.27 118.94 119.85 1jkn s TRP 136 Ca 0.11 0.47 0.04 0.00 0.02 0.00 0.00 56.10 56.74 1jkn s TRP 136 Cb 0.02 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1jkn s TRP 136 CO -0.04 -0.06 -0.11 0.14 0.02 0.00 0.00 176.95 176.89 1jkn s VAL 137 N 1.49 0.86 0.73 4.03 -7.23 -1.11 -4.87 120.40 114.30 1jkn s VAL 137 Ca 0.15 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.91 1jkn s VAL 137 Cb -0.15 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.87 1jkn s VAL 137 CO 0.08 -0.35 1.10 0.42 -0.31 0.00 0.00 175.10 176.03 1jkn s THR 138 N -1.55 3.34 0.61 5.32 -4.23 -1.26 0.64 115.64 118.50 1jkn s THR 138 Ca -0.03 0.50 0.31 0.00 -1.18 0.00 0.00 61.69 61.29 1jkn s THR 138 Cb -0.09 -3.01 0.31 0.00 1.34 0.00 0.00 72.50 71.06 1jkn s THR 138 CO 0.01 -0.51 1.95 1.55 -0.54 0.00 0.00 174.62 177.08 1jkn h PRO 139 N -0.69 0.00 0.04 3.99 0.13 -1.95 0.22 132.00 133.74 1jkn h PRO 139 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1jkn h PRO 139 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.53 0.00 -1.95 0.39 -0.23 0.00 0.00 178.00 176.73 1jkn n GLU 140 N -2.85 0.69 -0.01 0.86 1.02 -1.26 -3.68 120.64 115.40 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1jkn n GLU 140 Cb 0.32 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jkn h GLN 141 N 0.03 -0.02 -0.81 3.49 1.08 -1.00 -2.69 115.11 115.19 1jkn h GLN 141 Ca -0.39 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.42 1jkn h GLN 141 CO 0.06 0.46 0.54 1.25 -0.95 0.00 0.00 178.83 180.19 1jkn h LEU 142 N -0.50 0.35 -1.45 1.46 5.85 -1.12 1.09 115.31 121.00 1jkn h LEU 142 Ca -0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1jkn h LEU 142 Cb 0.48 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1jkn h LEU 142 CO 0.00 0.16 -0.28 0.40 -0.34 0.00 0.00 178.44 178.39 1jkn h ILE 143 N 0.36 1.06 0.02 4.05 5.03 -1.59 0.31 117.51 126.76 1jkn h ILE 143 Ca 0.41 -1.00 -0.21 0.00 -0.12 0.00 0.00 64.86 63.93 1jkn h ILE 143 Cb 1.04 1.56 -0.01 0.00 -3.03 0.00 0.00 36.82 36.38 1jkn h ILE 143 CO -0.13 0.27 -0.96 -0.78 -0.68 0.00 0.00 178.15 175.88 1jkn h ASP 144 N 0.00 0.23 -0.07 1.72 3.58 0.15 -3.24 116.42 118.79 1jkn h ASP 144 Ca -0.00 -0.21 -0.22 0.00 0.42 0.00 0.00 57.03 57.02 1jkn h ASP 144 Cb 0.54 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.53 1jkn h ASP 144 CO 0.04 1.06 -0.83 -0.07 -2.88 0.00 0.00 179.24 176.56 1jkn h LEU 145 N 0.08 0.85 -9.81 2.28 3.38 -0.41 -3.46 115.31 108.23 1jkn h LEU 145 Ca -0.05 -0.69 -0.49 0.00 0.09 0.00 0.00 57.88 56.74 1jkn h LEU 145 Cb 1.63 -0.26 0.22 0.00 0.09 0.00 0.00 40.66 42.34 1jkn h LEU 145 CO 0.14 1.41 -0.68 0.41 0.09 0.00 0.00 178.44 179.82 1jkn n THR 146 N -3.98 0.00 -3.70 0.22 -1.04 0.10 -4.49 114.28 101.40 1jkn n THR 146 Ca -0.09 -0.25 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 1jkn n THR 146 Cb 0.77 -0.68 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 1jkn n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jkn s VAL 147 N -2.35 5.19 0.28 12.58 0.11 -1.26 -4.84 120.40 130.12 1jkn s VAL 147 Ca 0.58 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 1jkn s VAL 147 Cb -0.18 -3.86 0.29 0.00 -1.53 0.00 0.00 36.38 31.10 1jkn s VAL 147 CO 0.66 -0.43 1.68 -0.33 -3.33 0.00 0.00 175.10 173.35 1jkn h GLU 148 N 1.01 0.30 -0.11 1.54 4.39 -1.94 0.75 114.58 120.52 1jkn h GLU 148 Ca -0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1jkn h GLU 148 Cb 1.22 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jkn h GLU 148 CO 0.61 0.20 0.00 1.97 -1.16 0.00 0.00 179.01 180.63 1jkn n PHE 149 N -5.12 0.14 -0.15 4.33 1.16 -1.26 -3.42 117.46 113.14 1jkn n PHE 149 Ca 0.21 -0.07 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 1jkn n PHE 149 Cb 0.64 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.51 1jkn n PHE 149 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1jkn n LYS 150 N -0.21 2.41 0.48 3.97 5.02 0.21 -4.62 118.16 125.42 1jkn n LYS 150 Ca 0.10 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1jkn n LYS 150 Cb 0.15 -0.48 -0.09 0.00 -0.02 0.00 0.00 35.03 34.58 1jkn n LYS 150 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jkn h LYS 151 N 0.00 -1.20 -0.70 1.97 1.57 -0.04 -1.86 116.57 116.31 1jkn h LYS 151 Ca 0.00 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1jkn h LYS 151 Cb 0.07 0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1jkn h LYS 151 CO 0.00 -0.80 0.39 -1.00 -0.57 0.00 0.00 179.45 177.47 1jkn h PRO 152 N -1.25 0.98 -0.13 3.15 0.13 -1.86 0.27 132.00 133.29 1jkn h PRO 152 Ca -0.12 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1jkn h PRO 152 Cb 0.97 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1jkn h PRO 152 CO 0.18 0.73 0.12 0.28 -0.23 0.00 0.00 178.00 179.09 1jkn h VAL 153 N 0.96 0.61 0.00 1.56 2.07 -1.84 0.05 116.25 119.66 1jkn h VAL 153 Ca 0.25 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.57 1jkn h VAL 153 Cb 0.03 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1jkn h VAL 153 CO -0.04 0.00 -1.24 -1.22 0.02 0.00 0.00 177.57 175.09 1jkn n TYR 154 N -4.00 0.84 -0.20 1.57 4.02 -0.70 -3.79 117.16 114.90 1jkn n TYR 154 Ca 0.00 0.37 0.28 0.00 -0.01 0.00 0.00 57.90 58.54 1jkn n TYR 154 Cb 0.24 -0.99 0.70 0.00 -0.02 0.00 0.00 39.34 39.26 1jkn n TYR 154 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1jkn h LYS 155 N -1.00 0.05 -0.25 -0.72 1.57 -0.25 0.42 116.57 116.38 1jkn h LYS 155 Ca -0.30 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1jkn h LYS 155 Cb 1.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1jkn h LYS 155 CO -0.18 0.03 -0.10 1.49 -0.57 0.00 0.00 179.45 180.12 1jkn h GLU 156 N 0.05 0.51 -0.13 3.15 4.57 -1.15 0.15 114.58 121.73 1jkn h GLU 156 Ca 0.45 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1jkn h GLU 156 Cb 1.71 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.28 1jkn h GLU 156 CO -0.03 0.75 0.08 0.28 -1.18 0.00 0.00 179.01 178.92 1jkn h VAL 157 N 0.24 1.03 -0.10 0.32 2.07 -0.33 -1.56 116.25 117.93 1jkn h VAL 157 Ca 0.06 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jkn h VAL 157 Cb 0.59 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1jkn h VAL 157 CO 0.03 0.03 0.06 -0.07 0.02 0.00 0.00 177.57 177.64 1jkn h LEU 158 N 0.17 0.12 -0.87 2.57 3.38 -1.12 -1.41 115.31 118.15 1jkn h LEU 158 Ca 0.05 -0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1jkn h LEU 158 Cb -0.02 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 1jkn h LEU 158 CO -0.01 0.13 0.38 0.28 0.09 0.00 0.00 178.44 179.31 1jkn h SER 159 N 0.10 0.34 0.97 -0.43 0.02 -0.40 2.01 113.55 116.16 1jkn h SER 159 Ca 0.04 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1jkn h SER 159 Cb 0.03 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1jkn h SER 159 CO -0.01 0.04 -0.30 0.58 -1.14 0.00 0.00 176.83 176.00 1jkn h VAL 160 N 0.43 0.70 -0.02 2.27 2.07 -0.85 -3.00 116.25 117.84 1jkn h VAL 160 Ca 0.53 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jkn h VAL 160 Cb 0.95 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1jkn h VAL 160 CO -0.49 0.30 -0.14 0.49 0.02 0.00 0.00 177.57 177.74 1jkn n PHE 161 N -3.42 0.00 -0.23 1.57 3.72 0.24 -4.57 117.46 114.77 1jkn n PHE 161 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1jkn n PHE 161 Cb 0.49 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.08 1jkn n PHE 161 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkn h ALA 162 N 4.24 0.24 -0.11 4.37 0.00 0.30 0.52 119.26 128.81 1jkn h ALA 162 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jkn h ALA 162 Cb 0.88 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jkn h ALA 162 CO 0.00 -0.53 0.29 -1.00 0.00 0.00 0.00 179.25 178.01 1jkn h PRO 163 N -0.07 0.00 0.00 0.00 0.13 -1.81 0.26 132.00 130.51 1jkn h PRO 163 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1jkn h PRO 163 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jkn h PRO 163 CO -0.71 0.00 -1.40 0.72 -0.23 0.00 0.00 178.00 176.37 1jkn n HIS 164 N -3.22 0.28 -0.47 1.56 8.25 0.17 -5.23 115.22 116.57 1jkn n HIS 164 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1jkn n HIS 164 Cb 0.38 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26