#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 3.92 -0.27 1.61 0.04 -1.26 -5.04 135.00 134.00 1jkn s PRO 2 Ca 0.00 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 1jkn s PRO 2 Cb 0.00 -2.56 0.18 0.00 0.04 0.00 0.00 34.50 32.16 1jkn s PRO 2 CO 0.00 -0.43 1.32 -0.48 0.04 0.00 0.00 177.00 177.45 1jkn s LEU 3 N -2.73 -0.12 0.00 -3.56 0.05 -1.26 -5.05 118.68 106.01 1jkn s LEU 3 Ca 0.60 0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.96 1jkn s LEU 3 Cb -0.30 1.26 0.00 0.00 -2.05 0.00 0.00 46.19 45.10 1jkn s LEU 3 CO 0.37 -0.08 0.00 0.61 -0.55 0.00 0.00 176.35 176.70 1jkn n GLY 4 N 1.09 0.79 0.00 -3.48 0.00 -1.26 -5.08 105.19 97.25 1jkn n GLY 4 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.68 0.00 1.61 2.88 -1.26 -4.52 113.62 113.01 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 -2.14 -1.46 2.81 -0.78 -4.97 117.12 110.58 1jkn n MET 6 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1jkn n MET 6 Cb 0.00 -0.50 -0.01 0.00 -0.71 0.00 0.00 33.22 32.00 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 -2.28 -3.39 0.00 7.83 -0.08 -1.25 -4.85 116.55 112.53 1jkn n ASP 7 Ca 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1jkn n ASP 7 Cb 0.22 -2.60 0.00 0.00 2.34 0.00 0.00 41.12 41.08 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 0.12 0.00 -4.60 1.67 7.64 -1.26 -4.82 113.62 112.36 1jkn n SER 8 Ca -0.12 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.33 1jkn n SER 8 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 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 3.20 0.32 1.43 0.04 -1.26 -4.91 135.00 133.82 1jkn s PRO 9 Ca 0.00 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.90 1jkn s PRO 9 Cb 0.00 -4.33 0.08 0.00 0.04 0.00 0.00 34.50 30.29 1jkn s PRO 9 CO 0.00 -2.02 0.32 -2.30 0.04 0.00 0.00 177.00 173.04 1jkn n PRO 10 N 8.65 -1.20 -3.33 0.56 -0.02 -1.26 -5.03 135.00 133.37 1jkn n PRO 10 Ca 0.28 -0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 60.89 1jkn n PRO 10 Cb 0.45 -0.43 -0.06 0.00 -0.02 0.00 0.00 33.50 33.45 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 -3.72 4.02 0.00 -0.52 0.41 -1.26 -4.16 118.70 113.47 1jkn s GLU 11 Ca 0.20 0.54 0.00 0.00 -0.41 0.00 0.00 54.97 55.30 1jkn s GLU 11 Cb -0.01 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 1jkn s GLU 11 CO 0.15 0.49 0.00 0.41 -0.49 0.00 0.00 175.26 175.82 1jkn n GLY 12 N 0.89 2.51 3.76 -1.39 0.00 -1.26 -5.01 105.19 104.69 1jkn n GLY 12 Ca -0.06 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.12 3.45 0.42 1.61 2.02 -1.26 -4.06 117.35 118.41 1jkn s TYR 13 Ca 0.00 1.58 -0.16 0.00 -0.37 0.00 0.00 57.07 58.12 1jkn s TYR 13 Cb 0.00 -3.39 -0.09 0.00 -0.40 0.00 0.00 41.96 38.08 1jkn s TYR 13 CO 0.00 -0.94 0.87 0.50 -1.57 0.00 0.00 175.55 174.41 1jkn s ARG 14 N -1.20 4.01 -0.03 -0.62 6.06 -1.11 -4.64 118.95 121.41 1jkn s ARG 14 Ca 0.47 0.83 -0.30 0.00 -2.50 0.00 0.00 55.73 54.23 1jkn s ARG 14 Cb -0.33 -2.27 -0.03 0.00 0.06 0.00 0.00 34.95 32.37 1jkn s ARG 14 CO 0.42 -0.05 1.02 1.03 -2.50 0.00 0.00 175.30 175.22 1jkn s ARG 15 N -3.50 4.49 0.16 5.12 1.81 -1.26 -1.55 118.95 124.21 1jkn s ARG 15 Ca 0.57 1.46 -0.14 0.00 -1.72 0.00 0.00 55.73 55.89 1jkn s ARG 15 Cb -0.10 -3.48 0.02 0.00 -0.45 0.00 0.00 34.95 30.94 1jkn s ARG 15 CO 0.23 -0.18 0.41 -0.80 -0.68 0.00 0.00 175.30 174.28 1jkn s ASN 16 N 1.07 -0.15 -0.04 0.23 -0.87 -1.18 -1.93 114.94 112.08 1jkn s ASN 16 Ca 0.52 -0.55 0.03 0.00 -1.57 0.00 0.00 52.86 51.29 1jkn s ASN 16 Cb -0.21 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.52 1jkn s ASN 16 CO 0.24 -0.94 -0.13 0.68 -2.57 0.00 0.00 177.10 174.38 1jkn s VAL 17 N -3.88 1.12 -0.06 1.60 -7.23 0.23 -2.76 120.40 109.42 1jkn s VAL 17 Ca 0.09 -0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 1jkn s VAL 17 Cb 0.01 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1jkn s VAL 17 CO -0.05 0.33 0.05 -0.83 -0.31 0.00 0.00 175.10 174.30 1jkn s GLY 18 N 0.17 1.97 -0.34 2.32 0.00 -1.14 -1.54 107.32 108.76 1jkn s GLY 18 Ca -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1jkn s GLY 18 CO 0.02 -0.61 0.05 -0.42 0.00 0.00 0.00 173.10 172.14 1jkn s ILE 19 N -1.03 2.41 -0.57 0.90 1.09 -0.85 0.53 121.20 123.69 1jkn s ILE 19 Ca 0.17 -2.23 -0.22 0.00 -1.10 0.00 0.00 60.65 57.28 1jkn s ILE 19 Cb -0.12 -2.72 0.06 0.00 -1.06 0.00 0.00 42.46 38.62 1jkn s ILE 19 CO 0.07 -0.55 0.83 0.00 -0.10 0.00 0.00 174.94 175.20 1jkn s LEU 21 N 3.48 4.05 0.20 0.00 2.96 -1.26 0.21 118.68 128.31 1jkn s LEU 21 Ca 0.22 0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1jkn s LEU 21 Cb -0.17 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1jkn s LEU 21 CO 0.14 0.39 -0.18 0.00 -1.32 0.00 0.00 176.35 175.38 1jkn s MET 22 N -1.05 1.36 0.41 1.98 0.23 0.07 0.10 119.30 122.41 1jkn s MET 22 Ca 0.15 -1.52 0.08 0.00 -1.03 0.00 0.00 55.69 53.37 1jkn s MET 22 Cb -0.12 -1.35 0.00 0.00 -1.53 0.00 0.00 34.83 31.83 1jkn s MET 22 CO 0.04 0.26 0.53 0.54 -2.03 0.00 0.00 175.02 174.36 1jkn s ASN 23 N -2.99 5.58 0.51 -1.18 4.22 -0.71 -1.76 114.94 118.61 1jkn s ASN 23 Ca 0.20 -0.45 0.25 0.00 -2.14 0.00 0.00 52.86 50.72 1jkn s ASN 23 Cb -0.04 -0.70 1.38 0.00 1.28 0.00 0.00 41.25 43.17 1jkn s ASN 23 CO 0.08 -0.71 1.75 -1.13 -2.04 0.00 0.00 177.10 175.05 1jkn h ASN 24 N 0.74 0.00 -0.02 3.54 -1.24 -1.92 0.63 115.58 117.31 1jkn h ASN 24 Ca -0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 1jkn h ASN 24 CO 0.48 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.09 1jkn n ASP 25 N -2.56 1.36 -0.34 1.15 8.00 -1.26 -4.91 116.55 117.98 1jkn n ASP 25 Ca -0.02 -1.46 -0.03 0.00 0.71 0.00 0.00 54.79 53.99 1jkn n ASP 25 Cb 0.27 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jkn n LYS 26 N 0.06 -0.26 -2.81 -1.24 5.02 0.22 -5.05 118.16 114.11 1jkn n LYS 26 Ca 0.19 0.36 -0.20 0.00 -2.02 0.00 0.00 58.31 56.65 1jkn n LYS 26 Cb 0.33 -4.03 0.04 0.00 -0.02 0.00 0.00 35.03 31.34 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 -3.38 2.54 -0.21 1.97 1.02 -1.24 -4.80 119.74 115.63 1jkn s LYS 27 Ca 0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 1jkn s LYS 27 Cb 0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1jkn s LYS 27 CO 0.00 -0.64 -0.01 0.42 -0.92 0.00 0.00 175.35 174.20 1jkn s ILE 28 N -2.64 3.77 -0.25 2.17 1.09 0.24 -1.75 121.20 123.83 1jkn s ILE 28 Ca 0.58 -0.37 -0.30 0.00 -1.10 0.00 0.00 60.65 59.46 1jkn s ILE 28 Cb -0.09 -2.71 -0.07 0.00 -1.06 0.00 0.00 42.46 38.53 1jkn s ILE 28 CO 0.37 0.42 2.22 0.33 -0.10 0.00 0.00 174.94 178.18 1jkn n PHE 29 N 4.42 1.87 -5.00 3.97 7.35 0.29 -2.92 117.46 127.44 1jkn n PHE 29 Ca -0.17 -0.03 -0.32 0.00 -0.76 0.00 0.00 57.45 56.17 1jkn n PHE 29 Cb 0.52 -2.68 -0.15 0.00 0.35 0.00 0.00 39.48 37.52 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jkn s ALA 30 N 8.12 2.45 -0.06 3.13 0.00 -0.48 -4.65 121.76 130.27 1jkn s ALA 30 Ca 1.03 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.08 1jkn s ALA 30 Cb -0.46 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1jkn s ALA 30 CO 0.39 0.39 -0.23 0.00 0.00 0.00 0.00 175.76 176.31 1jkn s ALA 31 N -0.10 2.26 0.45 0.00 0.00 0.48 0.59 121.76 125.44 1jkn s ALA 31 Ca -0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 1jkn s ALA 31 Cb -0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 1jkn s ALA 31 CO 0.04 0.43 0.89 -1.54 0.00 0.00 0.00 175.76 175.58 1jkn s SER 32 N -0.24 6.62 0.69 0.00 1.04 0.13 -0.64 113.70 121.31 1jkn s SER 32 Ca -0.01 1.40 -0.13 0.00 0.48 0.00 0.00 55.95 57.69 1jkn s SER 32 Cb -0.13 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1jkn s SER 32 CO 0.03 -0.47 1.09 -0.13 0.98 0.00 0.00 173.24 174.74 1jkn s ARG 33 N -3.84 2.68 0.00 4.02 0.52 0.44 -1.57 118.95 121.21 1jkn s ARG 33 Ca 0.56 1.26 0.25 0.00 -0.52 0.00 0.00 55.73 57.28 1jkn s ARG 33 Cb -0.10 -1.94 0.57 0.00 0.52 0.00 0.00 34.95 33.99 1jkn s ARG 33 CO 0.29 -1.32 1.45 1.28 0.02 0.00 0.00 175.30 177.01 1jkn n LEU 34 N -2.81 1.13 0.00 2.53 4.77 -0.90 -4.06 117.00 117.66 1jkn n LEU 34 Ca 0.09 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1jkn n LEU 34 Cb 0.53 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1jkn n LEU 34 CO 0.50 0.22 -0.23 -0.90 -1.33 0.00 0.00 177.39 175.65 1jkn n ASP 35 N -0.67 2.32 -4.07 -1.43 5.75 -1.26 -4.96 116.55 112.24 1jkn n ASP 35 Ca 0.11 -0.05 -0.32 0.00 -0.01 0.00 0.00 54.79 54.51 1jkn n ASP 35 Cb 0.37 0.57 -0.15 0.00 -1.03 0.00 0.00 41.12 40.88 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jkn s ILE 36 N -1.04 2.25 0.16 2.12 1.01 -1.26 -5.09 121.20 119.35 1jkn s ILE 36 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 60.65 58.57 1jkn s ILE 36 Cb 0.00 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.97 1jkn s ILE 36 CO 0.00 -0.15 1.66 -2.84 0.00 0.00 0.00 174.94 173.61 1jkn s PRO 37 N 1.07 4.17 0.00 2.79 0.02 -1.26 -1.58 135.00 140.21 1jkn s PRO 37 Ca -0.05 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1jkn s PRO 37 Cb -0.20 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1jkn s PRO 37 CO -0.05 -0.70 0.00 -3.47 -0.33 0.00 0.00 177.00 172.45 1jkn n ASP 38 N 4.35 -0.78 -4.44 2.53 -0.08 -1.26 -4.98 116.55 111.88 1jkn n ASP 38 Ca 0.15 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.00 1jkn n ASP 38 Cb 0.37 -0.13 -0.04 0.00 2.34 0.00 0.00 41.12 43.67 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 -3.41 3.22 0.19 -1.67 0.00 -0.61 -4.97 121.76 114.50 1jkn s ALA 39 Ca 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 51.96 49.89 1jkn s ALA 39 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1jkn s ALA 39 CO 0.00 -2.77 0.18 -1.58 0.00 0.00 0.00 175.76 171.58 1jkn s TRP 40 N 3.54 3.18 0.12 0.00 0.52 -1.26 0.17 118.94 125.21 1jkn s TRP 40 Ca 0.23 -0.04 -0.16 0.00 0.02 0.00 0.00 56.10 56.16 1jkn s TRP 40 Cb -0.15 -1.49 0.05 0.00 -1.15 0.00 0.00 33.47 30.73 1jkn s TRP 40 CO 0.05 0.52 0.74 0.00 0.02 0.00 0.00 176.95 178.27 1jkn n GLN 41 N -0.68 0.44 -4.12 4.98 10.64 0.19 -4.42 117.38 124.40 1jkn n GLN 41 Ca -0.08 -1.02 -0.23 0.00 -1.83 0.00 0.00 57.00 53.83 1jkn n GLN 41 Cb 0.56 1.40 -0.05 0.00 -0.86 0.00 0.00 30.24 31.29 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1jkn s MET 42 N -2.03 2.86 0.31 2.61 -1.94 -1.26 -0.39 119.30 119.45 1jkn s MET 42 Ca 0.17 -1.04 -0.29 0.00 -1.71 0.00 0.00 55.69 52.82 1jkn s MET 42 Cb -0.02 -2.55 -0.10 0.00 2.01 0.00 0.00 34.83 34.17 1jkn s MET 42 CO 0.04 0.42 1.22 -1.25 -0.01 0.00 0.00 175.02 175.44 1jkn s PRO 43 N -3.62 4.47 0.16 2.03 0.04 -1.26 -4.97 135.00 131.85 1jkn s PRO 43 Ca 0.32 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 1jkn s PRO 43 Cb -0.08 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1jkn s PRO 43 CO 0.24 -0.02 0.44 1.14 0.04 0.00 0.00 177.00 178.84 1jkn s GLN 44 N -1.65 1.20 -0.09 4.56 -2.07 -1.26 -2.00 119.66 118.36 1jkn s GLN 44 Ca 0.47 -0.80 -0.31 0.00 -1.82 0.00 0.00 55.36 52.90 1jkn s GLN 44 Cb -0.37 0.48 0.08 0.00 -1.09 0.00 0.00 33.01 32.12 1jkn s GLN 44 CO 0.48 -0.48 0.76 0.20 -1.32 0.00 0.00 175.29 174.93 1jkn s GLY 45 N -2.84 -0.50 0.26 2.60 0.00 -0.59 -4.89 107.32 101.37 1jkn s GLY 45 Ca 0.06 1.52 -0.29 0.00 0.00 0.00 0.00 44.72 46.02 1jkn s GLY 45 CO -0.08 1.01 1.28 -0.32 0.00 0.00 0.00 173.10 175.00 1jkn s GLY 46 N -1.11 2.75 0.75 0.20 0.00 -1.26 0.76 107.32 109.41 1jkn s GLY 46 Ca -0.08 1.14 -0.11 0.00 0.00 0.00 0.00 44.72 45.67 1jkn s GLY 46 CO 0.08 1.93 1.09 -0.42 0.00 0.00 0.00 173.10 175.78 1jkn s ILE 47 N -0.56 3.45 0.23 0.90 1.01 -0.81 -4.79 121.20 120.63 1jkn s ILE 47 Ca 0.52 0.49 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 1jkn s ILE 47 Cb -0.37 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 1jkn s ILE 47 CO 0.44 -0.60 0.55 -1.81 0.00 0.00 0.00 174.94 173.53 1jkn s ASP 48 N -3.39 6.64 -0.73 3.58 1.11 -1.26 -4.88 116.67 117.74 1jkn s ASP 48 Ca 0.61 0.94 -0.27 0.00 0.18 0.00 0.00 52.55 54.01 1jkn s ASP 48 Cb -0.17 -2.23 -0.15 0.00 1.07 0.00 0.00 42.92 41.44 1jkn s ASP 48 CO 0.54 -0.06 2.52 -0.62 1.18 0.00 0.00 175.17 178.73 1jkn n GLU 49 N -0.07 0.56 -2.23 8.23 4.71 -1.26 0.24 120.64 130.81 1jkn n GLU 49 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1jkn n GLU 49 Cb 0.52 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 28.36 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jkn n GLY 50 N 6.23 0.96 3.58 0.62 0.00 -1.26 -5.07 105.19 110.24 1jkn n GLY 50 Ca 0.50 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.47 2.30 0.15 1.61 2.56 0.14 -5.10 118.70 115.89 1jkn s GLU 51 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 54.97 53.77 1jkn s GLU 51 Cb 0.00 -2.38 -0.07 0.00 2.00 0.00 0.00 34.13 33.68 1jkn s GLU 51 CO 0.00 0.55 1.17 -0.51 -0.56 0.00 0.00 175.26 175.90 1jkn s ASP 52 N -1.85 7.14 0.13 -1.70 1.11 -1.26 -4.74 116.67 115.50 1jkn s ASP 52 Ca 0.19 2.12 -0.27 0.00 0.18 0.00 0.00 52.55 54.78 1jkn s ASP 52 Cb -0.11 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.24 1jkn s ASP 52 CO 0.11 -0.35 1.61 -0.65 1.18 0.00 0.00 175.17 177.07 1jkn h PRO 53 N 5.66 -0.42 -0.02 8.23 0.11 -1.97 0.46 132.00 144.05 1jkn h PRO 53 Ca -0.44 0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1jkn h PRO 53 Cb 1.21 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jkn h PRO 53 CO 0.76 -0.28 0.05 -0.09 -0.21 0.00 0.00 178.00 178.22 1jkn h ARG 54 N -0.44 0.00 0.01 1.05 2.43 -1.93 -0.75 114.38 114.75 1jkn h ARG 54 Ca 0.07 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1jkn h ARG 54 Cb 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 1jkn h ARG 54 CO -0.29 0.00 -0.94 -0.91 -1.51 0.00 0.00 179.97 176.32 1jkn h ASN 55 N 0.00 0.02 -0.12 -3.80 4.21 -1.50 -2.98 115.58 111.40 1jkn h ASN 55 Ca 0.01 -0.65 0.04 0.00 1.21 0.00 0.00 56.30 56.90 1jkn h ASN 55 Cb 0.11 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1jkn h ASN 55 CO -0.00 1.37 0.10 0.00 -1.29 0.00 0.00 177.43 177.61 1jkn h ALA 56 N -0.34 1.97 0.03 -0.83 0.00 0.20 -0.28 119.26 120.03 1jkn h ALA 56 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jkn h ALA 56 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jkn h ALA 56 CO -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 178.93 1jkn h ALA 57 N 1.92 -0.04 -0.47 0.00 0.00 -1.27 0.37 119.26 119.76 1jkn h ALA 57 Ca 0.06 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1jkn h ALA 57 Cb 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1jkn h ALA 57 CO -0.00 -0.14 0.33 0.82 0.00 0.00 0.00 179.25 180.26 1jkn h ILE 58 N -0.81 0.80 0.00 0.00 2.04 -1.24 0.58 117.51 118.88 1jkn h ILE 58 Ca -0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jkn h ILE 58 Cb 0.69 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1jkn h ILE 58 CO 0.01 0.01 -0.06 -0.09 0.00 0.00 0.00 178.15 178.03 1jkn h ARG 59 N 0.07 0.00 -0.61 2.37 2.43 -1.06 -3.33 114.38 114.26 1jkn h ARG 59 Ca 0.22 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 1jkn h ARG 59 Cb 0.79 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1jkn h ARG 59 CO -0.02 0.68 0.41 0.93 -1.51 0.00 0.00 179.97 180.46 1jkn h GLU 60 N -1.00 0.36 0.72 0.20 4.39 0.49 -2.63 114.58 117.11 1jkn h GLU 60 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1jkn h GLU 60 Cb 0.70 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1jkn h GLU 60 CO -0.01 0.24 -0.44 1.25 -1.16 0.00 0.00 179.01 178.89 1jkn h LEU 61 N 0.37 -1.10 0.00 1.33 5.85 0.03 0.49 115.31 122.28 1jkn h LEU 61 Ca 0.28 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1jkn h LEU 61 Cb 0.62 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1jkn h LEU 61 CO -0.07 -0.68 0.00 -2.11 -0.34 0.00 0.00 178.44 175.24 1jkn n ARG 62 N -5.20 0.01 -0.08 1.25 1.85 -1.09 0.11 116.66 113.51 1jkn n ARG 62 Ca -0.13 0.40 -0.22 0.00 -1.00 0.00 0.00 57.85 56.90 1jkn n ARG 62 Cb 0.45 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.24 1jkn n ARG 62 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1jkn h GLU 63 N 0.00 0.07 0.00 2.89 3.07 -0.82 -0.91 114.58 118.88 1jkn h GLU 63 Ca 0.00 -0.11 -0.30 0.00 -0.50 0.00 0.00 59.36 58.45 1jkn h GLU 63 Cb 0.05 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1jkn h GLU 63 CO 0.00 1.05 -1.75 0.39 -1.40 0.00 0.00 179.01 177.30 1jkn n GLU 64 N -4.21 0.64 -0.01 2.33 -0.58 0.16 -3.74 120.64 115.23 1jkn n GLU 64 Ca -0.32 0.28 0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1jkn n GLU 64 Cb 0.77 -1.78 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 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 -3.05 0.11 -0.97 2.62 -2.24 0.29 -4.32 114.28 106.73 1jkn n THR 65 Ca -0.18 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1jkn n THR 65 Cb 1.06 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 2.27 0.31 3.65 3.38 0.00 0.15 0.13 105.19 115.08 1jkn n GLY 66 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.68 3.82 -0.17 1.61 1.01 -1.24 -4.42 120.40 119.32 1jkn s VAL 67 Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1jkn s VAL 67 Cb 0.00 -3.71 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 1jkn s VAL 67 CO 0.00 -0.18 0.15 0.35 0.00 0.00 0.00 175.10 175.43 1jkn n THR 68 N 5.79 1.55 -2.72 3.92 -2.24 -1.26 -3.95 114.28 115.36 1jkn n THR 68 Ca 0.17 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1jkn n THR 68 Cb 0.44 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1jkn n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jkn n SER 69 N -3.12 5.22 -3.70 3.42 7.64 -1.26 -4.90 113.62 116.92 1jkn n SER 69 Ca -0.34 -3.05 -0.11 0.00 1.01 0.00 0.00 58.87 56.38 1jkn n SER 69 Cb 1.06 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1jkn n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkn s ALA 70 N 0.86 -0.84 0.11 -0.43 0.00 -1.26 0.97 121.76 121.17 1jkn s ALA 70 Ca 0.41 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO 0.00 -0.29 -0.26 -1.21 0.00 0.00 0.00 175.76 174.01 1jkn s GLU 71 N 1.47 1.51 -0.02 0.00 2.02 -0.88 -4.89 118.70 117.91 1jkn s GLU 71 Ca -0.08 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.31 1jkn s GLU 71 Cb -0.10 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1jkn s GLU 71 CO -0.11 0.46 1.08 0.08 0.02 0.00 0.00 175.26 176.80 1jkn s VAL 72 N -1.02 4.54 -0.02 2.63 1.01 -1.26 0.13 120.40 126.40 1jkn s VAL 72 Ca 0.14 1.82 0.13 0.00 0.00 0.00 0.00 61.98 64.07 1jkn s VAL 72 Cb -0.10 -4.17 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 1jkn s VAL 72 CO 0.06 0.08 0.28 -0.38 0.00 0.00 0.00 175.10 175.14 1jkn n ILE 73 N 4.19 0.00 -3.63 2.22 2.08 0.30 -4.87 119.36 119.65 1jkn n ILE 73 Ca 0.08 -0.29 -0.10 0.00 0.56 0.00 0.00 62.75 63.01 1jkn n ILE 73 Cb 0.48 0.22 -0.03 0.00 -0.75 0.00 0.00 39.64 39.57 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 -2.87 -1.30 -0.17 -1.39 0.00 -1.12 -4.94 121.76 109.98 1jkn s ALA 74 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1jkn s ALA 74 Cb 0.08 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1jkn s ALA 74 CO 0.52 -0.85 0.32 -1.83 0.00 0.00 0.00 175.76 173.93 1jkn s GLU 75 N -3.83 0.23 -0.24 0.00 4.04 -1.26 0.14 118.70 117.77 1jkn s GLU 75 Ca 0.06 0.80 -0.30 0.00 0.04 0.00 0.00 54.97 55.57 1jkn s GLU 75 Cb -0.02 -0.02 -0.07 0.00 0.02 0.00 0.00 34.13 34.05 1jkn s GLU 75 CO -0.05 -0.33 2.21 0.28 -1.84 0.00 0.00 175.26 175.54 1jkn n VAL 76 N 5.36 0.32 0.16 1.83 0.31 -0.05 -4.80 118.33 121.46 1jkn n VAL 76 Ca -0.07 -0.41 0.18 0.00 -0.01 0.00 0.00 64.34 64.04 1jkn n VAL 76 Cb 0.50 -2.35 0.68 0.00 -0.91 0.00 0.00 33.84 31.76 1jkn n VAL 76 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1jkn h PRO 77 N 14.35 0.00 0.00 5.55 0.11 -1.98 -3.42 132.00 146.61 1jkn h PRO 77 Ca -0.38 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.37 1jkn h PRO 77 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1jkn h PRO 77 CO 0.97 0.00 -0.20 2.48 -0.21 0.00 0.00 178.00 181.05 1jkn n TYR 78 N -3.31 -0.50 -4.09 0.65 0.18 -1.26 -4.90 117.16 103.94 1jkn n TYR 78 Ca 0.05 -1.41 -0.31 0.00 1.88 0.00 0.00 57.90 58.11 1jkn n TYR 78 Cb 0.67 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 39.31 1jkn n TYR 78 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1jkn s TRP 79 N -1.75 3.21 -0.25 -3.48 0.52 -1.26 -4.65 118.94 111.28 1jkn s TRP 79 Ca 0.13 0.12 -0.06 0.00 0.02 0.00 0.00 56.10 56.32 1jkn s TRP 79 Cb -0.01 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1jkn s TRP 79 CO 0.08 0.52 0.03 -0.51 0.02 0.00 0.00 176.95 177.09 1jkn s LEU 80 N -2.09 3.33 -0.09 2.99 2.01 0.34 -1.87 118.68 123.30 1jkn s LEU 80 Ca 0.26 -0.43 0.04 0.00 0.01 0.00 0.00 54.13 54.01 1jkn s LEU 80 Cb -0.12 -1.83 -0.00 0.00 0.01 0.00 0.00 46.19 44.24 1jkn s LEU 80 CO 0.18 -0.07 -0.24 0.42 1.01 0.00 0.00 176.35 177.65 1jkn s THR 81 N 1.52 2.04 0.34 5.49 -4.23 -1.25 0.64 115.64 120.20 1jkn s THR 81 Ca 0.05 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1jkn s THR 81 Cb -0.15 -1.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.86 1jkn s THR 81 CO 0.00 0.56 0.05 -0.72 -0.54 0.00 0.00 174.62 173.97 1jkn s TYR 82 N 0.23 2.07 0.12 3.99 1.13 -1.23 -4.88 117.35 118.79 1jkn s TYR 82 Ca -0.16 -0.91 0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1jkn s TYR 82 Cb -0.17 -1.38 -0.04 0.00 -1.10 0.00 0.00 41.96 39.27 1jkn s TYR 82 CO 0.08 0.09 -0.10 0.16 -2.51 0.00 0.00 175.55 173.27 1jkn s ASP 83 N -3.54 1.56 0.17 -0.18 -4.77 -1.25 -2.99 116.67 105.67 1jkn s ASP 83 Ca 0.36 -0.94 0.09 0.00 -3.30 0.00 0.00 52.55 48.76 1jkn s ASP 83 Cb 0.09 0.01 -0.04 0.00 -1.09 0.00 0.00 42.92 41.89 1jkn s ASP 83 CO 0.16 -0.33 -0.10 -0.36 0.70 0.00 0.00 175.17 175.24 1jkn s PHE 84 N -3.06 2.64 1.20 2.11 0.08 -1.23 -4.79 117.98 114.94 1jkn s PHE 84 Ca 0.12 -0.21 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 1jkn s PHE 84 Cb 0.01 -1.31 0.29 0.00 -0.57 0.00 0.00 43.02 41.44 1jkn s PHE 84 CO -0.01 0.50 1.02 -1.25 -0.10 0.00 0.00 175.22 175.38 1jkn s PRO 85 N -2.73 -1.17 0.45 0.24 0.04 -1.26 -4.41 135.00 126.15 1jkn s PRO 85 Ca 0.24 0.56 0.31 0.00 0.04 0.00 0.00 61.00 62.15 1jkn s PRO 85 Cb -0.09 -1.55 1.49 0.00 0.04 0.00 0.00 34.50 34.39 1jkn s PRO 85 CO 0.15 -3.82 1.93 -1.00 0.04 0.00 0.00 177.00 174.30 1jkn h PRO 86 N -2.68 0.00 0.07 0.56 0.13 -2.00 0.47 132.00 128.55 1jkn h PRO 86 Ca -0.57 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.22 1jkn h PRO 86 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.47 0.00 -1.97 1.17 -0.23 0.00 0.00 178.00 177.44 1jkn n LYS 87 N -2.66 0.71 -0.04 0.86 0.00 -1.26 -3.05 118.16 112.71 1jkn n LYS 87 Ca -0.00 0.25 -0.16 0.00 0.00 0.00 0.00 58.31 58.40 1jkn n LYS 87 Cb 0.16 -1.71 -0.13 0.00 0.00 0.00 0.00 35.03 33.35 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 0.04 1.70 -0.19 3.15 2.07 -1.81 -1.45 116.25 119.76 1jkn h VAL 88 Ca -0.40 -2.34 0.03 0.00 0.82 0.00 0.00 66.70 64.81 1jkn h VAL 88 Cb 2.03 3.28 -0.03 0.00 -1.52 0.00 0.00 31.29 35.05 1jkn h VAL 88 CO 0.07 0.62 -0.00 -0.09 0.02 0.00 0.00 177.57 178.19 1jkn h ARG 89 N -0.79 0.06 0.00 1.57 1.12 -0.28 0.87 114.38 116.93 1jkn h ARG 89 Ca -0.04 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.79 1jkn h ARG 89 Cb 1.15 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 1jkn h ARG 89 CO 0.04 0.04 -0.18 1.49 -3.11 0.00 0.00 179.97 178.25 1jkn h GLU 90 N 0.06 0.00 0.15 0.20 4.22 -1.66 -1.96 114.58 115.60 1jkn h GLU 90 Ca 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.30 1jkn h GLU 90 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jkn h GLU 90 CO -0.15 0.18 -1.05 -0.22 -2.18 0.00 0.00 179.01 175.59 1jkn h LYS 91 N 0.00 0.32 -0.30 1.92 3.11 -0.00 -3.33 116.57 118.29 1jkn h LYS 91 Ca -0.00 -0.55 -0.01 0.00 -2.81 0.00 0.00 60.65 57.29 1jkn h LYS 91 Cb 0.49 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 1jkn h LYS 91 CO 0.02 1.26 0.16 -0.07 -2.81 0.00 0.00 179.45 178.01 1jkn h LEU 92 N -0.29 0.38 -1.59 5.20 3.38 0.85 0.91 115.31 124.15 1jkn h LEU 92 Ca -0.20 -0.10 0.35 0.00 0.09 0.00 0.00 57.88 58.02 1jkn h LEU 92 Cb 1.74 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 1jkn h LEU 92 CO 0.15 0.37 0.81 0.78 0.09 0.00 0.00 178.44 180.63 1jkn h ASN 93 N 0.36 0.25 0.02 -0.43 2.35 -1.49 1.72 115.58 118.36 1jkn h ASN 93 Ca 0.10 0.07 -0.39 0.00 -0.55 0.00 0.00 56.30 55.54 1jkn h ASN 93 Cb 0.08 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1jkn h ASN 93 CO -0.02 -0.01 -2.20 -0.38 -1.65 0.00 0.00 177.43 173.17 1jkn n ILE 94 N -4.48 1.56 0.13 2.81 5.41 -0.84 -2.79 119.36 121.17 1jkn n ILE 94 Ca 0.29 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.52 1jkn n ILE 94 Cb 1.18 -1.75 -0.07 0.00 -0.71 0.00 0.00 39.64 38.29 1jkn n ILE 94 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jkn h GLN 95 N -0.54 -0.37 0.03 0.38 4.15 0.16 -3.32 115.11 115.61 1jkn h GLN 95 Ca -0.56 0.03 -0.21 0.00 0.77 0.00 0.00 58.65 58.67 1jkn h GLN 95 Cb 1.71 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 1jkn h GLN 95 CO -0.21 -0.04 -0.98 -1.49 -1.93 0.00 0.00 178.83 174.18 1jkn h TRP 96 N -0.92 0.23 -1.49 3.99 4.06 0.21 -3.48 115.95 118.55 1jkn h TRP 96 Ca -0.04 -0.15 -0.08 0.00 2.06 0.00 0.00 58.89 60.68 1jkn h TRP 96 Cb 0.51 -0.02 0.02 0.00 -1.00 0.00 0.00 29.16 28.67 1jkn h TRP 96 CO 0.04 1.03 -0.13 0.41 -3.56 0.00 0.00 178.44 176.24 1jkn n GLY 97 N 1.14 0.50 3.33 1.49 0.00 0.15 -4.98 105.19 106.82 1jkn n GLY 97 Ca -0.03 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 2.97 -0.83 1.61 0.01 -1.24 -4.99 113.70 108.25 1jkn s SER 98 Ca 0.08 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1jkn s SER 98 Cb -0.03 -0.22 0.31 0.00 0.21 0.00 0.00 66.02 66.29 1jkn s SER 98 CO 0.10 0.18 1.33 0.47 0.41 0.00 0.00 173.24 175.72 1jkn n ASP 99 N 1.40 5.74 -3.96 2.44 9.92 -1.26 -3.99 116.55 126.84 1jkn n ASP 99 Ca -0.18 -3.61 -0.21 0.00 -0.53 0.00 0.00 54.79 50.26 1jkn n ASP 99 Cb 0.53 -0.91 -0.16 0.00 -0.64 0.00 0.00 41.12 39.94 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1jkn s TRP 100 N -3.54 0.95 0.24 1.24 0.52 -1.26 -4.97 118.94 112.12 1jkn s TRP 100 Ca 0.41 -0.27 0.09 0.00 0.02 0.00 0.00 56.10 56.35 1jkn s TRP 100 Cb 0.19 -0.73 0.25 0.00 -1.15 0.00 0.00 33.47 32.03 1jkn s TRP 100 CO -0.08 -0.16 1.55 0.87 0.02 0.00 0.00 176.95 179.15 1jkn h LYS 101 N 6.76 0.04 0.00 4.98 6.56 -1.94 -3.48 116.57 129.50 1jkn h LYS 101 Ca -0.35 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1jkn h LYS 101 Cb 1.17 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1jkn h LYS 101 CO 0.48 0.71 0.00 0.41 -2.06 0.00 0.00 179.45 178.99 1jkn n GLY 102 N 0.42 4.06 2.99 3.86 0.00 -1.25 -3.55 105.19 111.73 1jkn n GLY 102 Ca -0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1jkn n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 103 N 1.12 0.33 -0.55 1.61 1.11 -1.16 -2.74 119.66 119.38 1jkn s GLN 103 Ca 0.00 0.65 -0.24 0.00 0.01 0.00 0.00 55.36 55.78 1jkn s GLN 103 Cb 0.00 -0.30 0.04 0.00 -1.01 0.00 0.00 33.01 31.75 1jkn s GLN 103 CO 0.00 -0.55 0.94 0.00 0.01 0.00 0.00 175.29 175.69 1jkn s ALA 104 N 2.55 3.16 0.13 6.09 0.00 -0.60 -3.57 121.76 129.53 1jkn s ALA 104 Ca 0.09 -1.27 0.09 0.00 0.00 0.00 0.00 51.96 50.87 1jkn s ALA 104 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1jkn s ALA 104 CO -0.15 -2.39 -0.21 1.14 0.00 0.00 0.00 175.76 174.15 1jkn s GLN 105 N 3.93 1.23 -0.51 0.00 -2.07 0.21 -3.09 119.66 119.35 1jkn s GLN 105 Ca 0.30 -1.29 -0.14 0.00 -1.82 0.00 0.00 55.36 52.41 1jkn s GLN 105 Cb -0.13 -1.44 0.12 0.00 -1.09 0.00 0.00 33.01 30.47 1jkn s GLN 105 CO 0.19 0.32 0.44 0.21 -1.32 0.00 0.00 175.29 175.12 1jkn s LYS 106 N -2.29 2.87 0.27 9.60 2.47 -1.11 0.12 119.74 131.66 1jkn s LYS 106 Ca 0.11 -1.64 -0.29 0.00 -1.56 0.00 0.00 55.97 52.58 1jkn s LYS 106 Cb -0.08 -4.17 -0.09 0.00 -1.46 0.00 0.00 37.83 32.02 1jkn s LYS 106 CO 0.06 -1.23 1.20 -1.58 0.16 0.00 0.00 175.35 173.96 1jkn s TRP 107 N 1.55 3.36 -0.06 4.03 0.52 -1.26 -2.87 118.94 124.22 1jkn s TRP 107 Ca 0.04 1.52 0.05 0.00 0.02 0.00 0.00 56.10 57.72 1jkn s TRP 107 Cb -0.28 -3.46 -0.00 0.00 -1.15 0.00 0.00 33.47 28.58 1jkn s TRP 107 CO 0.03 -1.20 -0.21 -0.06 0.02 0.00 0.00 176.95 175.54 1jkn s PHE 108 N -0.83 2.07 0.05 -1.98 0.40 0.19 -0.87 117.98 117.02 1jkn s PHE 108 Ca 0.49 -0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 1jkn s PHE 108 Cb -0.35 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1jkn s PHE 108 CO 0.44 -0.23 0.98 -1.17 0.70 0.00 0.00 175.22 175.94 1jkn s LEU 109 N 0.06 4.43 -0.08 -0.37 2.96 0.36 0.74 118.68 126.77 1jkn s LEU 109 Ca -0.07 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1jkn s LEU 109 Cb -0.14 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1jkn s LEU 109 CO 0.04 -0.19 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.37 1jkn s PHE 110 N 0.57 1.81 -0.24 5.38 0.40 0.55 0.11 117.98 126.55 1jkn s PHE 110 Ca 0.50 -0.74 -0.18 0.00 -0.60 0.00 0.00 56.93 55.91 1jkn s PHE 110 Cb -0.22 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1jkn s PHE 110 CO 0.29 -0.35 0.52 0.21 0.70 0.00 0.00 175.22 176.58 1jkn s LYS 111 N 0.68 4.10 0.06 0.44 2.47 0.35 -0.75 119.74 127.09 1jkn s LYS 111 Ca -0.14 0.35 -0.31 0.00 -1.56 0.00 0.00 55.97 54.32 1jkn s LYS 111 Cb -0.16 -3.63 -0.08 0.00 -1.46 0.00 0.00 37.83 32.51 1jkn s LYS 111 CO 0.04 -0.29 1.59 0.12 0.16 0.00 0.00 175.35 176.97 1jkn s PHE 112 N 2.12 2.54 -0.24 4.03 5.36 -0.72 -2.07 117.98 129.00 1jkn s PHE 112 Ca 0.22 0.44 0.14 0.00 -0.96 0.00 0.00 56.93 56.77 1jkn s PHE 112 Cb -0.16 -3.89 0.47 0.00 -0.34 0.00 0.00 43.02 39.10 1jkn s PHE 112 CO 0.09 -3.53 1.17 0.25 -1.46 0.00 0.00 175.22 171.74 1jkn n THR 113 N 4.68 1.90 -0.94 0.12 -2.24 0.27 -4.75 114.28 113.32 1jkn n THR 113 Ca 0.15 -3.42 0.00 0.00 -2.27 0.00 0.00 64.05 58.51 1jkn n THR 113 Cb 0.41 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.63 5.56 3.29 3.38 0.00 -1.19 -4.77 105.19 110.83 1jkn n GLY 114 Ca 0.26 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 3.59 1.15 0.43 1.61 -0.21 -1.26 -5.00 119.66 119.97 1jkn s GLN 115 Ca 0.00 -1.30 0.14 0.00 0.02 0.00 0.00 55.36 54.22 1jkn s GLN 115 Cb 0.00 -1.16 0.79 0.00 1.00 0.00 0.00 33.01 33.63 1jkn s GLN 115 CO 0.00 0.24 1.36 -0.44 -2.12 0.00 0.00 175.29 174.32 1jkn h ASP 116 N 3.49 0.00 1.71 5.90 3.32 -2.02 0.78 116.42 129.59 1jkn h ASP 116 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1jkn h ASP 116 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jkn h ASP 116 CO 0.49 0.00 0.00 -0.61 -1.72 0.00 0.00 179.24 177.40 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 -0.00 -2.04 -3.14 115.11 113.50 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 1jkn h GLN 117 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.29 1jkn h GLN 117 CO 0.00 0.00 -0.47 1.49 0.00 0.00 0.00 178.83 179.85 1jkn h GLU 118 N 0.00 0.00 -6.36 1.69 4.57 0.23 -3.43 114.58 111.28 1jkn h GLU 118 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1jkn h GLU 118 Cb 0.85 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.39 1jkn h GLU 118 CO 0.00 0.47 1.12 0.42 -1.18 0.00 0.00 179.01 179.84 1jkn s ILE 119 N -3.01 3.74 -0.41 2.32 1.01 -1.19 -3.70 121.20 119.96 1jkn s ILE 119 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1jkn s ILE 119 Cb 0.08 -4.40 0.11 0.00 0.01 0.00 0.00 42.46 38.26 1jkn s ILE 119 CO 0.74 -1.16 0.14 0.20 0.00 0.00 0.00 174.94 174.85 1jkn s ASN 120 N 4.74 4.55 0.61 3.58 -0.87 0.35 -4.96 114.94 122.94 1jkn s ASN 120 Ca 0.53 -2.49 0.29 0.00 -1.57 0.00 0.00 52.86 49.62 1jkn s ASN 120 Cb -0.11 -1.60 1.55 0.00 -0.02 0.00 0.00 41.25 41.07 1jkn s ASN 120 CO 0.24 -0.32 1.94 -0.07 -2.57 0.00 0.00 177.10 176.33 1jkn h LEU 121 N 7.16 0.00 0.68 0.60 3.38 -1.75 -1.64 115.31 123.73 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 41.72 1jkn h LEU 121 CO 0.58 0.00 -0.32 -0.07 0.09 0.00 0.00 178.44 178.72 1jkn h LEU 122 N 0.00 -0.77 0.00 1.67 3.38 -1.83 -3.35 115.31 114.40 1jkn h LEU 122 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jkn h LEU 122 Cb 0.92 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jkn h LEU 122 CO -0.00 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.67 1jkn n GLY 123 N -1.13 0.53 1.93 0.83 0.00 -0.63 -3.43 105.19 103.29 1jkn n GLY 123 Ca -0.13 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 3.00 6.33 -0.69 1.61 5.75 -0.37 -4.71 116.55 127.47 1jkn n ASP 124 Ca 0.00 -3.15 -0.07 0.00 -0.01 0.00 0.00 54.79 51.57 1jkn n ASP 124 Cb 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 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 0.10 0.27 1.06 6.12 0.00 -1.26 -4.93 105.19 106.56 1jkn n GLY 125 Ca 0.35 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1jkn n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 126 N 0.80 0.04 -4.91 1.61 2.88 -1.26 -5.10 113.62 107.67 1jkn n SER 126 Ca -0.07 0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.20 1jkn n SER 126 Cb 0.48 -0.01 0.04 0.00 -0.75 0.00 0.00 64.21 63.97 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jkn s GLU 127 N -1.04 2.85 0.22 -1.46 2.02 -1.26 -5.07 118.70 114.97 1jkn s GLU 127 Ca 0.00 0.08 -0.18 0.00 0.02 0.00 0.00 54.97 54.88 1jkn s GLU 127 Cb 0.00 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 31.94 1jkn s GLU 127 CO 0.00 -0.81 0.70 0.15 0.02 0.00 0.00 175.26 175.32 1jkn s LYS 128 N -5.09 4.19 0.10 1.61 3.01 -1.26 -4.55 119.74 117.75 1jkn s LYS 128 Ca 0.55 0.80 -0.35 0.00 -1.01 0.00 0.00 55.97 55.96 1jkn s LYS 128 Cb -0.11 -2.84 -0.14 0.00 -1.01 0.00 0.00 37.83 33.73 1jkn s LYS 128 CO 0.46 0.38 1.55 -2.30 0.51 0.00 0.00 175.35 175.96 1jkn n PRO 129 N 0.61 1.87 -0.04 -1.68 -0.02 -1.22 -4.89 135.00 129.63 1jkn n PRO 129 Ca -0.02 0.68 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1jkn n PRO 129 Cb 0.51 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.58 2.11 -4.23 -0.52 1.02 -1.26 -4.99 120.64 116.36 1jkn n GLU 130 Ca 0.18 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.10 1jkn n GLU 130 Cb 0.26 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jkn s PHE 131 N -2.20 2.85 -0.01 -0.32 0.08 -1.26 -2.11 117.98 115.01 1jkn s PHE 131 Ca -0.06 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.85 1jkn s PHE 131 Cb 0.03 -1.28 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 1jkn s PHE 131 CO 0.32 0.58 0.09 0.41 -0.10 0.00 0.00 175.22 176.52 1jkn n GLY 132 N -0.95 -0.18 3.61 4.36 0.00 -0.61 -4.68 105.19 106.74 1jkn n GLY 132 Ca -0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.28 1.86 0.04 1.61 0.41 -1.25 -5.00 118.70 114.09 1jkn s GLU 133 Ca -0.01 -1.49 -0.24 0.00 -0.41 0.00 0.00 54.97 52.82 1jkn s GLU 133 Cb 0.03 0.50 0.06 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.17 -0.80 0.55 1.67 -0.49 0.00 0.00 175.26 176.36 1jkn s TRP 134 N -3.24 -0.47 0.13 1.61 1.48 -1.26 0.17 118.94 117.36 1jkn s TRP 134 Ca 0.24 0.57 -0.13 0.00 -1.06 0.00 0.00 56.10 55.71 1jkn s TRP 134 Cb -0.02 0.37 0.02 0.00 -1.16 0.00 0.00 33.47 32.68 1jkn s TRP 134 CO 0.14 -0.65 0.34 0.45 -4.06 0.00 0.00 176.95 173.17 1jkn s SER 135 N -1.89 -0.09 -0.22 -2.66 0.15 0.20 -4.96 113.70 104.22 1jkn s SER 135 Ca -0.06 -0.52 -0.16 0.00 0.70 0.00 0.00 55.95 55.91 1jkn s SER 135 Cb -0.01 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1jkn s SER 135 CO -0.00 -0.85 0.39 0.26 1.20 0.00 0.00 173.24 174.24 1jkn s TRP 136 N -3.86 3.33 0.05 3.44 0.52 -1.26 -1.38 118.94 119.79 1jkn s TRP 136 Ca 0.07 0.55 0.02 0.00 0.02 0.00 0.00 56.10 56.76 1jkn s TRP 136 Cb 0.03 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1jkn s TRP 136 CO -0.09 -0.08 -0.08 0.14 0.02 0.00 0.00 176.95 176.86 1jkn s VAL 137 N 1.57 0.61 0.82 4.03 -7.23 -1.15 -4.87 120.40 114.18 1jkn s VAL 137 Ca 0.18 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 1jkn s VAL 137 Cb -0.15 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 36.10 1jkn s VAL 137 CO 0.08 -0.43 1.09 0.42 -0.31 0.00 0.00 175.10 175.96 1jkn s THR 138 N -1.64 3.05 0.44 5.32 -4.23 -1.26 0.79 115.64 118.11 1jkn s THR 138 Ca -0.07 0.34 0.35 0.00 -1.18 0.00 0.00 61.69 61.13 1jkn s THR 138 Cb -0.08 -2.84 0.35 0.00 1.34 0.00 0.00 72.50 71.26 1jkn s THR 138 CO -0.00 -0.44 2.06 -0.65 -0.54 0.00 0.00 174.62 175.04 1jkn h PRO 139 N -1.30 0.00 0.05 3.99 0.11 -1.96 0.95 132.00 133.84 1jkn h PRO 139 Ca -0.46 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 1jkn h PRO 139 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.53 0.00 -1.95 0.39 -0.21 0.00 0.00 178.00 176.76 1jkn n GLU 140 N -2.79 0.69 -0.00 1.05 -0.58 -1.26 -3.60 120.64 114.14 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1jkn n GLU 140 Cb 0.14 -1.71 -0.10 0.00 -0.57 0.00 0.00 31.44 29.20 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1jkn h GLN 141 N 0.03 -0.04 -0.69 3.49 1.08 -1.36 -2.67 115.11 114.95 1jkn h GLN 141 Ca -0.39 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.98 1jkn h GLN 141 Cb 2.04 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.06 0.48 0.47 1.25 -0.95 0.00 0.00 178.83 180.14 1jkn h LEU 142 N -0.57 0.20 -1.29 1.46 5.85 -1.10 1.00 115.31 120.86 1jkn h LEU 142 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1jkn h LEU 142 Cb 0.53 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1jkn h LEU 142 CO 0.01 0.10 -0.33 0.40 -0.34 0.00 0.00 178.44 178.27 1jkn h ILE 143 N 0.21 1.04 0.00 4.05 1.08 -1.58 0.88 117.51 123.19 1jkn h ILE 143 Ca 0.33 -1.22 -0.05 0.00 -0.39 0.00 0.00 64.86 63.53 1jkn h ILE 143 Cb 1.02 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 1jkn h ILE 143 CO -0.06 0.33 -0.30 -0.78 -0.69 0.00 0.00 178.15 176.64 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 1.82 0.13 -3.26 116.42 117.08 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.29 1jkn h ASP 144 Cb 0.67 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.70 1jkn h ASP 144 CO 0.04 0.24 -1.64 -0.07 -1.61 0.00 0.00 179.24 176.20 1jkn h LEU 145 N 0.00 0.68-10.12 2.28 3.38 -0.45 -3.47 115.31 107.61 1jkn h LEU 145 Ca -0.01 -0.89 -0.45 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.19 -0.22 0.22 0.00 0.09 0.00 0.00 40.66 41.93 1jkn h LEU 145 CO 0.03 1.73 -0.03 0.41 0.09 0.00 0.00 178.44 180.67 1jkn n THR 146 N -3.62 0.00 -4.00 0.22 -1.04 0.23 -4.47 114.28 101.60 1jkn n THR 146 Ca -0.21 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.05 61.22 1jkn n THR 146 Cb 1.08 -0.97 -0.03 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 -2.44 5.09 0.29 12.58 0.11 -1.26 -4.87 120.40 129.90 1jkn s VAL 147 Ca 0.68 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1jkn s VAL 147 Cb -0.24 -3.75 0.28 0.00 -1.53 0.00 0.00 36.38 31.13 1jkn s VAL 147 CO 0.64 -0.32 1.78 -0.08 -3.33 0.00 0.00 175.10 173.79 1jkn h GLU 148 N 1.32 0.72 0.00 1.54 4.22 -1.95 1.01 114.58 121.42 1jkn h GLU 148 Ca -0.51 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1jkn h GLU 148 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jkn h GLU 148 CO 0.61 0.48 0.00 1.97 -2.18 0.00 0.00 179.01 179.89 1jkn n PHE 149 N -4.79 0.00 -0.82 0.92 1.16 -1.26 -3.27 117.46 109.39 1jkn n PHE 149 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.79 1jkn n PHE 149 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 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 -0.93 0.36 0.18 3.97 5.02 0.81 -3.91 118.16 123.67 1jkn n LYS 150 Ca 0.20 -0.53 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 1jkn n LYS 150 Cb 0.09 -0.59 -0.04 0.00 -0.02 0.00 0.00 35.03 34.48 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 -0.49 -0.79 1.97 1.57 0.87 -2.96 116.57 116.75 1jkn h LYS 151 Ca 0.00 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1jkn h LYS 151 Cb 0.79 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.13 1jkn h LYS 151 CO 0.00 -0.32 0.41 -1.00 -0.57 0.00 0.00 179.45 177.96 1jkn h PRO 152 N -0.90 0.64 -0.15 3.15 0.13 -1.85 0.32 132.00 133.33 1jkn h PRO 152 Ca -0.05 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1jkn h PRO 152 Cb 0.39 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1jkn h PRO 152 CO 0.08 0.42 0.17 0.28 -0.23 0.00 0.00 178.00 178.72 1jkn h VAL 153 N 0.66 0.49 0.00 1.56 2.07 -1.79 0.54 116.25 119.77 1jkn h VAL 153 Ca 0.40 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.75 1jkn h VAL 153 Cb 0.46 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1jkn h VAL 153 CO -0.30 0.00 -1.10 -1.22 0.02 0.00 0.00 177.57 174.98 1jkn n TYR 154 N -3.83 0.92 -0.23 1.57 4.02 0.49 -3.71 117.16 116.39 1jkn n TYR 154 Ca 0.01 0.40 0.27 0.00 -0.01 0.00 0.00 57.90 58.57 1jkn n TYR 154 Cb 0.28 -0.98 0.66 0.00 -0.02 0.00 0.00 39.34 39.27 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 0.13 -0.26 -0.72 1.57 -0.21 0.47 116.57 116.56 1jkn h LYS 155 Ca -0.26 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1jkn h LYS 155 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1jkn h LYS 155 CO -0.15 0.09 0.04 1.49 -0.57 0.00 0.00 179.45 180.34 1jkn h GLU 156 N 0.14 0.43 -0.17 3.15 4.57 -1.05 0.75 114.58 122.40 1jkn h GLU 156 Ca 0.48 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1jkn h GLU 156 Cb 1.65 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 1jkn h GLU 156 CO -0.08 0.56 0.10 0.28 -1.18 0.00 0.00 179.01 178.69 1jkn h VAL 157 N 0.24 1.03 -0.06 0.32 2.07 -0.21 0.17 116.25 119.81 1jkn h VAL 157 Ca 0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jkn h VAL 157 Cb 0.33 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jkn h VAL 157 CO 0.01 0.04 0.02 -0.07 0.02 0.00 0.00 177.57 177.58 1jkn h LEU 158 N 0.22 0.09 -0.78 2.57 3.38 -1.02 -0.82 115.31 118.95 1jkn h LEU 158 Ca 0.06 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 57.98 1jkn h LEU 158 Cb -0.02 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 1jkn h LEU 158 CO -0.02 0.28 0.30 0.28 0.09 0.00 0.00 178.44 179.37 1jkn h SER 159 N -0.10 0.24 0.94 -0.43 0.02 0.78 1.64 113.55 116.63 1jkn h SER 159 Ca 0.02 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1jkn h SER 159 Cb 0.22 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jkn h SER 159 CO -0.00 0.06 -0.30 0.58 -1.14 0.00 0.00 176.83 176.03 1jkn h VAL 160 N 0.41 0.70 -0.55 2.27 2.07 -0.76 -2.93 116.25 117.47 1jkn h VAL 160 Ca 0.44 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1jkn h VAL 160 Cb 0.72 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1jkn h VAL 160 CO -0.45 0.29 0.00 0.49 0.02 0.00 0.00 177.57 177.93 1jkn n PHE 161 N -3.43 0.72 -0.03 1.57 3.72 0.17 -4.61 117.46 115.57 1jkn n PHE 161 Ca 0.00 -0.42 -0.09 0.00 -0.05 0.00 0.00 57.45 56.89 1jkn n PHE 161 Cb 0.48 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 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 3.77 -0.10 -0.24 4.37 0.00 0.23 -0.66 119.26 126.63 1jkn h ALA 162 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1jkn h ALA 162 Cb 0.92 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1jkn h ALA 162 CO 0.00 -0.64 0.41 -1.00 0.00 0.00 0.00 179.25 178.02 1jkn h PRO 163 N -0.23 0.00 0.00 0.00 0.13 -1.82 0.44 132.00 130.52 1jkn h PRO 163 Ca 0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1jkn h PRO 163 Cb 0.41 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1jkn h PRO 163 CO -0.33 0.00 -1.22 0.45 -0.23 0.00 0.00 178.00 176.67 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.48 -3.55 115.15 115.54 1jkn h HIS 164 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1jkn h HIS 164 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1jkn h HIS 164 CO 0.00 0.33 0.00 1.47 0.86 0.00 0.00 177.93 180.59