#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 0.72 0.58 1.61 0.04 -1.26 -4.88 135.00 131.81 1jkn s PRO 2 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1jkn s PRO 2 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1jkn s PRO 2 CO 0.00 -2.55 0.00 1.28 0.04 0.00 0.00 177.00 175.77 1jkn n LEU 3 N -4.06 0.00 -1.25 -3.56 7.99 -1.26 -4.89 117.00 109.97 1jkn n LEU 3 Ca 0.06 1.34 -0.13 0.00 -0.01 0.00 0.00 56.01 57.27 1jkn n LEU 3 Cb 0.57 -3.75 -0.03 0.00 -0.11 0.00 0.00 43.42 40.10 1jkn n LEU 3 CO 0.57 -2.67 -0.14 0.61 -1.51 0.00 0.00 177.39 174.24 1jkn n GLY 4 N -3.64 0.46 3.46 -0.72 0.00 -1.26 -4.83 105.19 98.66 1jkn n GLY 4 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jkn s SER 5 N -2.61 -0.36 0.00 1.61 1.04 -1.25 -4.76 113.70 107.36 1jkn s SER 5 Ca 0.00 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1jkn s SER 5 Cb 0.00 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.43 1jkn s SER 5 CO 0.00 -0.08 0.00 0.23 0.98 0.00 0.00 173.24 174.37 1jkn n MET 6 N 4.23 0.24 -1.13 4.02 2.81 -0.62 -4.96 117.12 121.71 1jkn n MET 6 Ca -0.12 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.72 1jkn n MET 6 Cb 0.55 -0.67 -0.02 0.00 -0.71 0.00 0.00 33.22 32.37 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jkn n ASP 7 N -1.71 -3.59 0.00 7.83 9.92 -1.26 -4.84 116.55 122.90 1jkn n ASP 7 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1jkn n ASP 7 Cb 0.17 -1.48 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1jkn n SER 8 N 1.10 0.00 -4.60 -2.24 3.41 -1.26 -4.81 113.62 105.22 1jkn n SER 8 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 1jkn n SER 8 Cb 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jkn s PRO 9 N -0.90 3.36 0.61 4.33 0.04 -1.26 -4.79 135.00 136.38 1jkn s PRO 9 Ca 0.00 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 1jkn s PRO 9 Cb 0.00 -4.18 0.14 0.00 0.04 0.00 0.00 34.50 30.50 1jkn s PRO 9 CO 0.00 -1.83 0.72 -2.30 0.04 0.00 0.00 177.00 173.63 1jkn n PRO 10 N 8.40 -1.22 -3.33 0.56 -0.02 -1.26 -5.06 135.00 133.08 1jkn n PRO 10 Ca 0.22 -1.13 -0.31 0.00 -2.02 0.00 0.00 63.50 60.26 1jkn n PRO 10 Cb 0.47 -0.84 -0.05 0.00 -0.02 0.00 0.00 33.50 33.06 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 -4.60 3.78 0.00 -0.52 2.02 -1.26 -4.19 118.70 113.94 1jkn s GLU 11 Ca 0.43 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.69 1jkn s GLU 11 Cb -0.02 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1jkn s GLU 11 CO 0.31 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1jkn n GLY 12 N -0.42 2.70 3.80 -1.39 0.00 -1.26 -5.00 105.19 103.63 1jkn n GLY 12 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.46 3.78 0.42 1.61 2.02 -1.26 -2.79 117.35 119.66 1jkn s TYR 13 Ca 0.00 1.24 -0.16 0.00 -0.37 0.00 0.00 57.07 57.78 1jkn s TYR 13 Cb 0.00 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 38.97 1jkn s TYR 13 CO 0.00 0.54 0.86 0.50 -1.57 0.00 0.00 175.55 175.88 1jkn s ARG 14 N -0.91 3.99 0.05 -0.62 3.00 -1.21 -4.70 118.95 118.56 1jkn s ARG 14 Ca 0.29 0.81 -0.31 0.00 -1.00 0.00 0.00 55.73 55.52 1jkn s ARG 14 Cb -0.19 -2.29 -0.08 0.00 0.00 0.00 0.00 34.95 32.40 1jkn s ARG 14 CO 0.18 -0.04 1.60 1.03 0.00 0.00 0.00 175.30 178.07 1jkn s ARG 15 N -3.50 4.21 0.13 5.12 1.81 -1.26 -3.25 118.95 122.21 1jkn s ARG 15 Ca 0.57 2.25 -0.15 0.00 -1.72 0.00 0.00 55.73 56.68 1jkn s ARG 15 Cb -0.10 -3.60 0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1jkn s ARG 15 CO 0.23 -0.70 0.37 1.21 -0.68 0.00 0.00 175.30 175.73 1jkn s ASN 16 N 2.32 -0.17 -0.01 0.23 3.84 -1.23 -1.15 114.94 118.77 1jkn s ASN 16 Ca 0.72 -0.41 0.04 0.00 0.21 0.00 0.00 52.86 53.42 1jkn s ASN 16 Cb -0.38 0.46 -0.01 0.00 -0.55 0.00 0.00 41.25 40.77 1jkn s ASN 16 CO 0.31 -0.85 -0.12 0.68 -2.79 0.00 0.00 177.10 174.33 1jkn s VAL 17 N -3.83 0.92 0.08 -5.21 -7.23 0.42 -3.57 120.40 101.98 1jkn s VAL 17 Ca 0.04 -0.52 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 1jkn s VAL 17 Cb 0.02 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 1jkn s VAL 17 CO -0.11 0.24 0.09 -0.83 -0.31 0.00 0.00 175.10 174.19 1jkn s GLY 18 N -0.32 2.02 -0.29 2.32 0.00 -1.23 -1.78 107.32 108.05 1jkn s GLY 18 Ca 0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.75 1jkn s GLY 18 CO -0.00 -0.99 0.07 -0.42 0.00 0.00 0.00 173.10 171.76 1jkn s ILE 19 N -1.41 0.96 -0.45 0.90 1.09 -0.82 -0.95 121.20 120.52 1jkn s ILE 19 Ca 0.30 -1.32 -0.22 0.00 -1.10 0.00 0.00 60.65 58.31 1jkn s ILE 19 Cb -0.12 -1.64 0.03 0.00 -1.06 0.00 0.00 42.46 39.66 1jkn s ILE 19 CO 0.23 -0.56 0.74 0.00 -0.10 0.00 0.00 174.94 175.24 1jkn s LEU 21 N 3.13 4.05 0.15 0.00 2.96 -1.26 0.21 118.68 127.93 1jkn s LEU 21 Ca 0.27 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.50 1jkn s LEU 21 Cb -0.13 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1jkn s LEU 21 CO 0.21 0.32 -0.13 0.00 -1.32 0.00 0.00 176.35 175.43 1jkn s MET 22 N -1.49 1.12 0.43 1.98 0.23 0.13 0.11 119.30 121.81 1jkn s MET 22 Ca 0.21 -1.39 0.08 0.00 -1.03 0.00 0.00 55.69 53.56 1jkn s MET 22 Cb -0.12 -0.92 -0.01 0.00 -1.53 0.00 0.00 34.83 32.26 1jkn s MET 22 CO 0.11 0.16 0.44 0.54 -2.03 0.00 0.00 175.02 174.24 1jkn s ASN 23 N -2.85 5.18 0.50 -1.18 4.22 -0.64 -1.81 114.94 118.36 1jkn s ASN 23 Ca 0.15 -0.69 0.27 0.00 -2.14 0.00 0.00 52.86 50.45 1jkn s ASN 23 Cb -0.02 -0.52 1.50 0.00 1.28 0.00 0.00 41.25 43.49 1jkn s ASN 23 CO 0.04 -0.73 1.82 -1.13 -2.04 0.00 0.00 177.10 175.06 1jkn h ASN 24 N 0.89 0.00 -0.03 3.54 -1.24 -1.91 0.45 115.58 117.27 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1jkn h ASN 24 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1jkn h ASN 24 CO 0.54 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.15 1jkn n ASP 25 N -2.58 1.39 -0.39 1.15 9.92 -1.26 -4.91 116.55 119.87 1jkn n ASP 25 Ca -0.02 -1.49 -0.04 0.00 -0.53 0.00 0.00 54.79 52.72 1jkn n ASP 25 Cb 0.21 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.66 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 0.09 -0.29 -2.90 -1.24 5.02 0.16 -5.05 118.16 113.95 1jkn n LYS 26 Ca 0.19 0.35 -0.19 0.00 -2.02 0.00 0.00 58.31 56.64 1jkn n LYS 26 Cb 0.33 -4.04 0.03 0.00 -0.02 0.00 0.00 35.03 31.33 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 -3.52 2.58 -0.20 1.97 1.02 -1.25 -4.79 119.74 115.56 1jkn s LYS 27 Ca 0.00 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 54.74 1jkn s LYS 27 Cb 0.00 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1jkn s LYS 27 CO 0.00 -0.57 -0.04 0.42 -0.92 0.00 0.00 175.35 174.23 1jkn s ILE 28 N -2.56 3.51 -0.28 2.17 1.09 0.26 -1.63 121.20 123.76 1jkn s ILE 28 Ca 0.58 -0.46 -0.31 0.00 -1.10 0.00 0.00 60.65 59.36 1jkn s ILE 28 Cb -0.09 -2.58 -0.08 0.00 -1.06 0.00 0.00 42.46 38.66 1jkn s ILE 28 CO 0.36 0.44 2.22 0.33 -0.10 0.00 0.00 174.94 178.20 1jkn n PHE 29 N 4.40 1.79 -4.96 3.97 7.35 0.29 -2.94 117.46 127.37 1jkn n PHE 29 Ca -0.18 0.04 -0.33 0.00 -0.76 0.00 0.00 57.45 56.22 1jkn n PHE 29 Cb 0.51 -2.65 -0.15 0.00 0.35 0.00 0.00 39.48 37.54 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 2.43 -0.08 3.13 0.00 -0.32 -4.66 121.76 130.38 1jkn s ALA 30 Ca 1.04 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1jkn s ALA 30 Cb -0.53 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1jkn s ALA 30 CO 0.40 0.27 -0.15 0.00 0.00 0.00 0.00 175.76 176.28 1jkn s ALA 31 N 0.35 2.59 0.48 0.00 0.00 -0.51 0.70 121.76 125.36 1jkn s ALA 31 Ca -0.14 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1jkn s ALA 31 Cb -0.17 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 21.87 1jkn s ALA 31 CO 0.07 0.44 0.90 -1.54 0.00 0.00 0.00 175.76 175.63 1jkn s SER 32 N -0.30 6.56 0.73 0.00 1.04 0.45 -0.81 113.70 121.38 1jkn s SER 32 Ca 0.02 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 1jkn s SER 32 Cb -0.13 -2.43 0.04 0.00 0.10 0.00 0.00 66.02 63.59 1jkn s SER 32 CO 0.03 -0.53 1.09 -0.13 0.98 0.00 0.00 173.24 174.68 1jkn s ARG 33 N -4.04 2.51 0.00 4.02 0.52 0.45 -1.84 118.95 120.58 1jkn s ARG 33 Ca 0.56 1.16 0.25 0.00 -0.52 0.00 0.00 55.73 57.18 1jkn s ARG 33 Cb -0.10 -1.93 0.45 0.00 0.52 0.00 0.00 34.95 33.89 1jkn s ARG 33 CO 0.32 -1.45 1.37 1.28 0.02 0.00 0.00 175.30 176.85 1jkn n LEU 34 N -3.22 1.17 0.00 2.53 4.77 -0.81 -4.07 117.00 117.37 1jkn n LEU 34 Ca 0.09 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1jkn n LEU 34 Cb 0.53 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1jkn n LEU 34 CO 0.53 0.23 -0.23 0.47 -1.33 0.00 0.00 177.39 177.05 1jkn n ASP 35 N -0.72 2.34 -4.09 -1.43 8.00 -1.26 -4.97 116.55 114.43 1jkn n ASP 35 Ca 0.10 -0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 1jkn n ASP 35 Cb 0.37 0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 41.90 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jkn s ILE 36 N -1.05 2.21 0.18 0.53 1.01 -1.26 -5.10 121.20 117.73 1jkn s ILE 36 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 60.65 58.87 1jkn s ILE 36 Cb 0.00 -2.23 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1jkn s ILE 36 CO 0.00 0.08 1.52 -2.16 0.00 0.00 0.00 174.94 174.38 1jkn s PRO 37 N 1.15 4.24 0.00 2.79 0.04 -1.26 -1.90 135.00 140.05 1jkn s PRO 37 Ca -0.06 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.06 -0.54 0.00 -3.47 0.04 0.00 0.00 177.00 172.96 1jkn n ASP 38 N 3.51 -1.23 -4.46 6.66 2.03 -1.26 -4.96 116.55 116.85 1jkn n ASP 38 Ca 0.12 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.00 1jkn n ASP 38 Cb 0.39 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.15 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jkn s ALA 39 N -2.92 3.16 0.19 -1.67 0.00 -0.80 -4.97 121.76 114.75 1jkn s ALA 39 Ca 0.00 -2.06 0.05 0.00 0.00 0.00 0.00 51.96 49.96 1jkn s ALA 39 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1jkn s ALA 39 CO 0.00 -2.85 0.19 -1.58 0.00 0.00 0.00 175.76 171.52 1jkn s TRP 40 N 3.79 3.20 0.13 0.00 0.52 -1.26 0.17 118.94 125.50 1jkn s TRP 40 Ca 0.25 -0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.09 1jkn s TRP 40 Cb -0.14 -1.51 0.08 0.00 -1.15 0.00 0.00 33.47 30.75 1jkn s TRP 40 CO 0.05 0.51 1.04 1.14 0.02 0.00 0.00 176.95 179.71 1jkn s GLN 41 N -3.39 1.08 0.22 4.98 -2.07 0.01 -4.41 119.66 116.07 1jkn s GLN 41 Ca 0.32 -0.62 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1jkn s GLN 41 Cb -0.09 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1jkn s GLN 41 CO 0.25 -0.50 0.38 -1.64 -1.32 0.00 0.00 175.29 172.46 1jkn s MET 42 N -2.88 3.48 0.30 9.60 -1.94 -1.26 -1.42 119.30 125.17 1jkn s MET 42 Ca 0.15 -0.49 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 1jkn s MET 42 Cb -0.01 -2.85 -0.10 0.00 2.01 0.00 0.00 34.83 33.88 1jkn s MET 42 CO 0.02 0.40 1.26 -1.25 -0.01 0.00 0.00 175.02 175.44 1jkn s PRO 43 N -3.60 4.42 0.10 2.03 0.04 -1.26 -4.96 135.00 131.77 1jkn s PRO 43 Ca 0.37 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.34 1jkn s PRO 43 Cb -0.10 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.36 1jkn s PRO 43 CO 0.30 -0.11 0.43 1.14 0.04 0.00 0.00 177.00 178.80 1jkn s GLN 44 N -1.49 1.05 -0.16 4.56 -2.07 -1.26 -1.94 119.66 118.35 1jkn s GLN 44 Ca 0.49 -0.57 -0.28 0.00 -1.82 0.00 0.00 55.36 53.18 1jkn s GLN 44 Cb -0.38 0.47 0.09 0.00 -1.09 0.00 0.00 33.01 32.09 1jkn s GLN 44 CO 0.48 -0.40 0.79 0.20 -1.32 0.00 0.00 175.29 175.04 1jkn s GLY 45 N -2.54 -0.47 0.33 2.60 0.00 -0.73 -4.92 107.32 101.58 1jkn s GLY 45 Ca 0.00 1.81 -0.29 0.00 0.00 0.00 0.00 44.72 46.24 1jkn s GLY 45 CO -0.09 1.31 1.45 -0.32 0.00 0.00 0.00 173.10 175.45 1jkn s GLY 46 N -0.54 2.71 0.81 0.20 0.00 -1.26 -0.44 107.32 108.80 1jkn s GLY 46 Ca -0.05 1.44 -0.11 0.00 0.00 0.00 0.00 44.72 46.01 1jkn s GLY 46 CO 0.04 2.22 1.09 -0.42 0.00 0.00 0.00 173.10 176.03 1jkn s ILE 47 N -0.74 3.12 0.24 0.90 1.01 -0.30 -4.80 121.20 120.63 1jkn s ILE 47 Ca 0.55 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 61.46 1jkn s ILE 47 Cb -0.44 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 1jkn s ILE 47 CO 0.54 -0.47 0.57 -1.81 0.00 0.00 0.00 174.94 173.77 1jkn s ASP 48 N -3.35 6.64 -0.69 3.58 1.11 -1.26 -4.87 116.67 117.82 1jkn s ASP 48 Ca 0.62 0.96 -0.26 0.00 0.18 0.00 0.00 52.55 54.05 1jkn s ASP 48 Cb -0.18 -2.24 -0.13 0.00 1.07 0.00 0.00 42.92 41.44 1jkn s ASP 48 CO 0.56 -0.09 2.48 -0.62 1.18 0.00 0.00 175.17 178.68 1jkn n GLU 49 N -0.18 0.65 -1.52 8.23 4.71 -1.26 -0.05 120.64 131.22 1jkn n GLU 49 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1jkn n GLU 49 Cb 0.52 -2.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.12 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 6.21 0.97 3.47 0.62 0.00 -1.26 -5.08 105.19 110.12 1jkn n GLY 50 Ca 0.48 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.14 2.25 0.28 1.61 2.12 0.93 -5.11 118.70 117.65 1jkn s GLU 51 Ca 0.00 -0.87 -0.29 0.00 0.36 0.00 0.00 54.97 54.17 1jkn s GLU 51 Cb 0.00 -2.27 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 1jkn s GLU 51 CO 0.00 0.57 1.15 -0.51 -0.54 0.00 0.00 175.26 175.93 1jkn s ASP 52 N -1.22 7.15 0.14 -1.70 1.11 -1.26 -4.70 116.67 116.19 1jkn s ASP 52 Ca 0.14 2.36 -0.23 0.00 0.18 0.00 0.00 52.55 54.99 1jkn s ASP 52 Cb -0.11 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.26 1jkn s ASP 52 CO 0.04 -0.24 1.63 -0.65 1.18 0.00 0.00 175.17 177.13 1jkn h PRO 53 N 3.82 -0.28 0.00 8.23 0.11 -1.97 0.58 132.00 142.49 1jkn h PRO 53 Ca -0.47 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jkn h PRO 53 Cb 1.21 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1jkn h PRO 53 CO 0.67 -0.19 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.18 1jkn h ARG 54 N -0.29 0.00 0.00 1.05 1.12 -1.93 -0.43 114.38 113.90 1jkn h ARG 54 Ca 0.12 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.94 1jkn h ARG 54 Cb 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1jkn h ARG 54 CO -0.35 0.00 -0.29 -0.91 -3.11 0.00 0.00 179.97 175.31 1jkn h ASN 55 N 0.00 0.00 -0.43 -3.80 2.35 -1.49 -2.72 115.58 109.49 1jkn h ASN 55 Ca -0.00 -0.77 0.09 0.00 -0.55 0.00 0.00 56.30 55.07 1jkn h ASN 55 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1jkn h ASN 55 CO 0.00 1.05 0.30 0.00 -1.65 0.00 0.00 177.43 177.13 1jkn h ALA 56 N -0.23 2.16 0.07 -0.83 0.00 0.33 0.20 119.26 120.95 1jkn h ALA 56 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jkn h ALA 56 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jkn h ALA 56 CO -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 179.25 178.91 1jkn h ALA 57 N 1.78 -0.09 -0.25 0.00 0.00 -1.18 0.81 119.26 120.32 1jkn h ALA 57 Ca 0.20 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jkn h ALA 57 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jkn h ALA 57 CO -0.03 -0.23 0.21 0.82 0.00 0.00 0.00 179.25 180.02 1jkn h ILE 58 N -0.73 0.67 0.00 0.00 2.04 -1.05 0.28 117.51 118.71 1jkn h ILE 58 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1jkn h ILE 58 Cb 0.59 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1jkn h ILE 58 CO 0.02 0.00 -0.53 -0.09 0.00 0.00 0.00 178.15 177.55 1jkn h ARG 59 N 0.00 0.00 -0.53 2.37 2.43 -0.91 -3.31 114.38 114.43 1jkn h ARG 59 Ca 0.12 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 1jkn h ARG 59 Cb 0.55 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 1jkn h ARG 59 CO -0.00 0.73 0.10 0.93 -1.51 0.00 0.00 179.97 180.22 1jkn h GLU 60 N -1.00 0.22 0.18 0.20 4.39 0.12 -1.63 114.58 117.07 1jkn h GLU 60 Ca -0.13 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1jkn h GLU 60 Cb 0.91 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1jkn h GLU 60 CO -0.08 0.15 -0.37 1.25 -1.16 0.00 0.00 179.01 178.80 1jkn h LEU 61 N 0.23 -1.07 -1.51 1.33 5.85 -0.64 0.74 115.31 120.24 1jkn h LEU 61 Ca 0.27 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1jkn h LEU 61 Cb 0.38 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1jkn h LEU 61 CO -0.36 -0.47 0.03 -0.09 -0.34 0.00 0.00 178.44 177.21 1jkn h ARG 62 N -0.64 0.00 0.10 1.25 2.43 -1.56 0.81 114.38 116.77 1jkn h ARG 62 Ca 0.01 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.81 1jkn h ARG 62 Cb 0.65 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1jkn h ARG 62 CO -0.18 0.00 -2.09 0.39 -1.51 0.00 0.00 179.97 176.58 1jkn n GLU 63 N -2.30 0.74 0.03 0.20 1.02 0.79 -2.21 120.64 118.91 1jkn n GLU 63 Ca -0.02 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1jkn n GLU 63 Cb 0.06 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 29.72 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 -3.44 0.63 -0.00 3.49 -0.58 0.22 -3.29 120.64 117.66 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 1.04 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.12 1jkn n GLU 64 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1jkn n THR 65 N -2.82 0.00 -0.92 2.62 -1.04 0.27 -4.42 114.28 107.98 1jkn n THR 65 Ca -0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1jkn n THR 65 Cb 0.81 0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 1jkn n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jkn n GLY 66 N 2.26 0.46 3.63 3.41 0.00 -0.94 0.12 105.19 114.13 1jkn n GLY 66 Ca -0.00 0.00 -0.43 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 -2.19 3.90 -0.16 1.61 1.01 -1.24 -4.39 120.40 118.93 1jkn s VAL 67 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1jkn s VAL 67 Cb 0.00 -3.88 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 1jkn s VAL 67 CO 0.00 -0.33 0.21 0.35 0.00 0.00 0.00 175.10 175.33 1jkn n THR 68 N 6.18 1.55 -2.92 3.92 -2.24 -1.26 -4.03 114.28 115.48 1jkn n THR 68 Ca 0.17 -0.74 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 1jkn n THR 68 Cb 0.45 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 -3.09 5.24 -3.72 3.42 7.64 -1.26 -4.92 113.62 116.93 1jkn n SER 69 Ca -0.32 -2.99 -0.12 0.00 1.01 0.00 0.00 58.87 56.45 1jkn n SER 69 Cb 1.07 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.31 -0.83 0.09 -0.43 0.00 -1.26 0.10 121.76 120.73 1jkn s ALA 70 Ca 0.42 1.25 0.10 0.00 0.00 0.00 0.00 51.96 53.73 1jkn s ALA 70 Cb -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1jkn s ALA 70 CO -0.00 -0.23 -0.26 -1.83 0.00 0.00 0.00 175.76 173.45 1jkn s GLU 71 N 1.19 1.55 -0.14 0.00 -1.05 -0.64 -4.89 118.70 114.72 1jkn s GLU 71 Ca -0.08 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.24 1jkn s GLU 71 Cb -0.08 -1.87 -0.01 0.00 -0.44 0.00 0.00 34.13 31.73 1jkn s GLU 71 CO -0.09 0.46 1.11 0.08 0.95 0.00 0.00 175.26 177.77 1jkn s VAL 72 N -0.94 4.54 -0.04 1.83 1.01 -1.26 0.14 120.40 125.68 1jkn s VAL 72 Ca 0.12 1.84 0.16 0.00 0.00 0.00 0.00 61.98 64.09 1jkn s VAL 72 Cb -0.10 -4.18 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 1jkn s VAL 72 CO 0.04 -0.07 0.30 -0.38 0.00 0.00 0.00 175.10 174.99 1jkn n ILE 73 N 4.91 0.15 -3.70 2.22 2.08 0.29 -4.89 119.36 120.42 1jkn n ILE 73 Ca 0.11 -0.41 -0.10 0.00 0.56 0.00 0.00 62.75 62.91 1jkn n ILE 73 Cb 0.47 0.02 -0.05 0.00 -0.75 0.00 0.00 39.64 39.33 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 -3.00 -0.81 -0.19 -1.39 0.00 -1.10 -4.95 121.76 110.33 1jkn s ALA 74 Ca -0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1jkn s ALA 74 Cb 0.09 0.75 0.09 0.00 0.00 0.00 0.00 23.12 24.06 1jkn s ALA 74 CO 0.66 -0.69 0.32 -1.83 0.00 0.00 0.00 175.76 174.21 1jkn s GLU 75 N -3.84 0.24 0.09 0.00 -1.05 -1.26 0.12 118.70 113.00 1jkn s GLU 75 Ca 0.06 0.65 -0.33 0.00 -0.15 0.00 0.00 54.97 55.21 1jkn s GLU 75 Cb 0.01 -0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.29 1jkn s GLU 75 CO -0.08 -0.44 1.76 0.28 0.95 0.00 0.00 175.26 177.73 1jkn n VAL 76 N 5.36 0.28 0.34 1.83 0.31 -0.50 -4.86 118.33 121.09 1jkn n VAL 76 Ca -0.06 -0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1jkn n VAL 76 Cb 0.50 -1.87 0.43 0.00 -0.91 0.00 0.00 33.84 31.98 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 5.09 0.13 -4.26 5.55 -0.04 -1.26 -4.75 135.00 135.46 1jkn n PRO 77 Ca 0.19 0.43 -0.17 0.00 -0.04 0.00 0.00 63.50 63.91 1jkn n PRO 77 Cb 0.33 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 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 -3.27 1.43 0.37 0.54 -0.85 -1.26 -4.74 117.35 109.57 1jkn s TYR 78 Ca 0.03 -0.61 -0.25 0.00 -0.52 0.00 0.00 57.07 55.72 1jkn s TYR 78 Cb 0.08 -0.72 -0.10 0.00 0.38 0.00 0.00 41.96 41.60 1jkn s TYR 78 CO 0.29 0.17 1.00 -1.58 -1.52 0.00 0.00 175.55 173.92 1jkn s TRP 79 N -2.63 3.43 -0.26 -3.49 0.52 -1.26 -4.65 118.94 110.59 1jkn s TRP 79 Ca 0.14 1.69 -0.06 0.00 0.02 0.00 0.00 56.10 57.89 1jkn s TRP 79 Cb -0.02 -3.03 -0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1jkn s TRP 79 CO 0.03 -0.27 0.04 -0.51 0.02 0.00 0.00 176.95 176.26 1jkn s LEU 80 N -2.45 3.44 -0.11 2.99 2.01 0.30 -1.59 118.68 123.27 1jkn s LEU 80 Ca 0.55 -0.44 0.01 0.00 0.01 0.00 0.00 54.13 54.26 1jkn s LEU 80 Cb -0.20 -1.86 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 1jkn s LEU 80 CO 0.25 -0.09 -0.15 0.42 1.01 0.00 0.00 176.35 177.80 1jkn s THR 81 N 1.53 2.93 0.36 5.49 -4.23 -1.26 0.09 115.64 120.57 1jkn s THR 81 Ca 0.05 -0.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 1jkn s THR 81 Cb -0.16 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 1jkn s THR 81 CO 0.01 0.54 0.04 -0.72 -0.54 0.00 0.00 174.62 173.96 1jkn s TYR 82 N 0.11 2.18 0.17 3.99 1.13 -1.23 -4.22 117.35 119.48 1jkn s TYR 82 Ca -0.07 -0.85 0.07 0.00 -1.41 0.00 0.00 57.07 54.81 1jkn s TYR 82 Cb -0.15 -1.48 -0.04 0.00 -1.10 0.00 0.00 41.96 39.19 1jkn s TYR 82 CO 0.05 0.18 -0.14 0.16 -2.51 0.00 0.00 175.55 173.29 1jkn s ASP 83 N -3.58 2.31 0.13 -0.18 1.47 -1.26 -3.47 116.67 112.09 1jkn s ASP 83 Ca 0.36 -0.95 0.11 0.00 1.18 0.00 0.00 52.55 53.24 1jkn s ASP 83 Cb 0.09 -0.10 -0.04 0.00 -0.34 0.00 0.00 42.92 42.53 1jkn s ASP 83 CO 0.16 -0.18 -0.26 -0.36 0.68 0.00 0.00 175.17 175.21 1jkn s PHE 84 N -2.75 2.33 1.16 2.11 0.08 -1.25 -4.80 117.98 114.85 1jkn s PHE 84 Ca 0.18 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.72 1jkn s PHE 84 Cb -0.02 -1.26 0.28 0.00 -0.57 0.00 0.00 43.02 41.45 1jkn s PHE 84 CO 0.05 0.33 1.03 -1.25 -0.10 0.00 0.00 175.22 175.28 1jkn s PRO 85 N -2.03 -0.88 0.47 0.24 0.04 -1.26 -4.37 135.00 127.20 1jkn s PRO 85 Ca 0.14 0.69 0.32 0.00 0.04 0.00 0.00 61.00 62.19 1jkn s PRO 85 Cb -0.10 -1.57 1.60 0.00 0.04 0.00 0.00 34.50 34.47 1jkn s PRO 85 CO 0.06 -3.66 1.97 -1.00 0.04 0.00 0.00 177.00 174.41 1jkn h PRO 86 N -2.57 0.00 0.05 0.56 0.13 -2.00 0.66 132.00 128.83 1jkn h PRO 86 Ca -0.60 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.19 1jkn h PRO 86 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.51 0.00 -1.95 1.17 -0.23 0.00 0.00 178.00 177.51 1jkn n LYS 87 N -2.67 0.69 -0.03 0.86 4.81 -1.26 -3.02 118.16 117.54 1jkn n LYS 87 Ca -0.01 0.24 -0.18 0.00 -0.87 0.00 0.00 58.31 57.50 1jkn n LYS 87 Cb 0.13 -1.71 -0.13 0.00 0.02 0.00 0.00 35.03 33.33 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jkn h VAL 88 N 0.03 1.50 -0.53 3.15 2.07 -1.76 -1.52 116.25 119.20 1jkn h VAL 88 Ca -0.39 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 64.75 1jkn h VAL 88 Cb 2.04 3.11 -0.03 0.00 -1.52 0.00 0.00 31.29 34.88 1jkn h VAL 88 CO 0.07 0.62 0.35 -0.09 0.02 0.00 0.00 177.57 178.53 1jkn h ARG 89 N -0.72 0.68 0.00 1.57 1.12 0.12 0.46 114.38 117.62 1jkn h ARG 89 Ca -0.13 -0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.62 1jkn h ARG 89 Cb 1.33 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.12 1jkn h ARG 89 CO 0.03 0.45 -0.42 1.49 -3.11 0.00 0.00 179.97 178.41 1jkn h GLU 90 N 0.70 0.00 0.01 0.20 4.57 -1.66 -2.43 114.58 115.97 1jkn h GLU 90 Ca 0.20 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1jkn h GLU 90 Cb -0.06 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1jkn h GLU 90 CO -0.05 0.42 -0.34 -0.22 -1.18 0.00 0.00 179.01 177.64 1jkn h LYS 91 N 0.00 0.21 -0.41 1.92 3.11 -0.22 -3.30 116.57 117.88 1jkn h LYS 91 Ca -0.00 -0.24 0.01 0.00 -2.81 0.00 0.00 60.65 57.61 1jkn h LYS 91 Cb 0.88 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.16 1jkn h LYS 91 CO 0.05 0.98 0.26 -0.07 -2.81 0.00 0.00 179.45 177.86 1jkn h LEU 92 N -0.46 0.43 -1.76 5.20 3.38 -0.10 0.64 115.31 122.65 1jkn h LEU 92 Ca -0.04 -0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.31 1jkn h LEU 92 Cb 1.11 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1jkn h LEU 92 CO 0.07 0.31 0.92 0.78 0.09 0.00 0.00 178.44 180.61 1jkn h ASN 93 N 0.52 0.14 0.00 -0.43 2.35 -1.53 1.55 115.58 118.18 1jkn h ASN 93 Ca 0.15 0.04 -0.39 0.00 -0.55 0.00 0.00 56.30 55.56 1jkn h ASN 93 Cb -0.03 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1jkn h ASN 93 CO -0.05 -0.02 -2.11 -0.38 -1.65 0.00 0.00 177.43 173.22 1jkn n ILE 94 N -4.32 1.54 0.28 2.81 5.41 -0.57 -2.69 119.36 121.81 1jkn n ILE 94 Ca 0.31 -0.28 -0.15 0.00 1.00 0.00 0.00 62.75 63.63 1jkn n ILE 94 Cb 1.35 -1.92 -0.08 0.00 -0.71 0.00 0.00 39.64 38.29 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 -0.94 -0.69 0.06 0.38 1.08 0.11 -3.28 115.11 111.83 1jkn h GLN 95 Ca -0.58 0.05 -0.25 0.00 -1.45 0.00 0.00 58.65 56.42 1jkn h GLN 95 Cb 1.53 0.16 0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1jkn h GLN 95 CO -0.33 -0.39 -1.08 -1.49 -0.95 0.00 0.00 178.83 174.59 1jkn h TRP 96 N -0.97 0.64 -0.43 2.96 4.06 0.18 -3.48 115.95 118.92 1jkn h TRP 96 Ca -0.07 -0.39 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1jkn h TRP 96 Cb 0.63 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1jkn h TRP 96 CO 0.00 1.24 0.00 0.41 -3.56 0.00 0.00 178.44 176.54 1jkn n GLY 97 N 1.19 0.75 3.24 1.49 0.00 0.66 -4.99 105.19 107.53 1jkn n GLY 97 Ca -0.08 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.89 2.31 -0.84 1.61 0.01 -1.23 -4.98 113.70 107.70 1jkn s SER 98 Ca 0.00 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1jkn s SER 98 Cb 0.00 -0.16 0.30 0.00 0.21 0.00 0.00 66.02 66.38 1jkn s SER 98 CO 0.00 0.09 1.26 -0.67 0.41 0.00 0.00 173.24 174.33 1jkn n ASP 99 N 1.55 5.54 -4.33 2.44 2.03 -1.26 -3.85 116.55 118.66 1jkn n ASP 99 Ca -0.18 -3.56 -0.26 0.00 0.52 0.00 0.00 54.79 51.31 1jkn n ASP 99 Cb 0.54 -0.93 -0.13 0.00 -0.72 0.00 0.00 41.12 39.88 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 -3.26 2.02 0.09 -0.67 0.52 -1.26 -5.02 118.94 111.36 1jkn s TRP 100 Ca 0.39 -0.40 0.10 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 100 Cb 0.16 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.35 1jkn s TRP 100 CO -0.04 0.27 1.38 0.87 0.02 0.00 0.00 176.95 179.45 1jkn h LYS 101 N 3.96 0.00 0.00 4.98 6.56 -1.91 -3.49 116.57 126.67 1jkn h LYS 101 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1jkn h LYS 101 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1jkn h LYS 101 CO 0.40 0.82 0.00 0.41 -2.06 0.00 0.00 179.45 179.02 1jkn n GLY 102 N 1.12 2.67 3.39 3.86 0.00 -1.26 -3.90 105.19 111.08 1jkn n GLY 102 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 4.29 0.51 -0.52 1.61 -0.21 -1.23 -3.35 119.66 120.77 1jkn s GLN 103 Ca 0.00 1.19 -0.21 0.00 0.02 0.00 0.00 55.36 56.35 1jkn s GLN 103 Cb 0.00 0.59 0.05 0.00 1.00 0.00 0.00 33.01 34.65 1jkn s GLN 103 CO 0.00 -0.36 0.77 0.00 -2.12 0.00 0.00 175.29 173.58 1jkn s ALA 104 N 2.81 3.28 0.04 6.09 0.00 -1.20 -3.53 121.76 129.25 1jkn s ALA 104 Ca 0.04 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1jkn s ALA 104 Cb -0.13 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1jkn s ALA 104 CO -0.18 -2.17 -0.21 1.14 0.00 0.00 0.00 175.76 174.34 1jkn s GLN 105 N 3.23 1.43 -0.67 0.00 -2.07 0.11 -3.52 119.66 118.17 1jkn s GLN 105 Ca 0.22 -0.94 -0.16 0.00 -1.82 0.00 0.00 55.36 52.66 1jkn s GLN 105 Cb -0.16 -1.54 0.16 0.00 -1.09 0.00 0.00 33.01 30.38 1jkn s GLN 105 CO 0.16 0.40 0.66 0.15 -1.32 0.00 0.00 175.29 175.33 1jkn s LYS 106 N -1.15 3.26 0.59 9.60 -0.14 -1.23 0.11 119.74 130.77 1jkn s LYS 106 Ca 0.08 -1.94 -0.20 0.00 -1.36 0.00 0.00 55.97 52.55 1jkn s LYS 106 Cb -0.09 -4.37 -0.04 0.00 -1.68 0.00 0.00 37.83 31.65 1jkn s LYS 106 CO 0.02 -1.36 1.27 -1.58 -0.76 0.00 0.00 175.35 172.93 1jkn s TRP 107 N 1.26 2.31 -0.03 3.18 0.52 -1.26 -3.55 118.94 121.37 1jkn s TRP 107 Ca 0.11 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1jkn s TRP 107 Cb -0.21 -3.62 0.00 0.00 -1.15 0.00 0.00 33.47 28.49 1jkn s TRP 107 CO -0.02 -2.55 -0.09 -0.06 0.02 0.00 0.00 176.95 174.25 1jkn s PHE 108 N -1.45 0.98 -0.01 -1.98 0.40 -0.12 -1.41 117.98 114.38 1jkn s PHE 108 Ca 0.76 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 56.54 1jkn s PHE 108 Cb -0.35 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1jkn s PHE 108 CO 0.39 -0.12 0.99 -1.17 0.70 0.00 0.00 175.22 176.01 1jkn s LEU 109 N 0.27 4.36 -0.11 -0.37 2.96 0.32 0.50 118.68 126.61 1jkn s LEU 109 Ca -0.04 1.65 0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1jkn s LEU 109 Cb -0.09 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1jkn s LEU 109 CO 0.01 -0.29 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.22 1jkn s PHE 110 N 1.13 2.14 -0.18 5.38 0.40 0.56 0.10 117.98 127.50 1jkn s PHE 110 Ca 0.52 -0.98 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 1jkn s PHE 110 Cb -0.21 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1jkn s PHE 110 CO 0.27 -0.47 0.59 0.21 0.70 0.00 0.00 175.22 176.52 1jkn s LYS 111 N 0.82 4.23 0.03 0.44 2.20 0.38 -0.69 119.74 127.14 1jkn s LYS 111 Ca -0.09 0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.78 1jkn s LYS 111 Cb -0.16 -3.55 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 1jkn s LYS 111 CO 0.01 -0.17 1.49 0.12 -0.36 0.00 0.00 175.35 176.44 1jkn s PHE 112 N 1.67 2.72 -0.25 4.03 5.36 -0.75 -1.62 117.98 129.15 1jkn s PHE 112 Ca 0.28 0.64 0.12 0.00 -0.96 0.00 0.00 56.93 57.02 1jkn s PHE 112 Cb -0.16 -3.78 0.46 0.00 -0.34 0.00 0.00 43.02 39.21 1jkn s PHE 112 CO 0.11 -2.97 1.18 0.25 -1.46 0.00 0.00 175.22 172.33 1jkn n THR 113 N 4.64 2.03 -0.98 0.12 -2.24 0.28 -4.79 114.28 113.34 1jkn n THR 113 Ca 0.14 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.36 1jkn n THR 113 Cb 0.42 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.68 5.54 3.27 3.38 0.00 -1.20 -4.76 105.19 110.74 1jkn n GLY 114 Ca 0.29 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 3.53 1.09 0.44 1.61 1.11 -1.26 -5.00 119.66 121.18 1jkn s GLN 115 Ca 0.00 -1.27 0.15 0.00 0.01 0.00 0.00 55.36 54.25 1jkn s GLN 115 Cb 0.00 -1.06 0.81 0.00 -1.01 0.00 0.00 33.01 31.74 1jkn s GLN 115 CO 0.00 0.21 1.37 -0.44 0.01 0.00 0.00 175.29 176.44 1jkn h ASP 116 N 3.52 0.00 1.77 5.90 3.32 -2.02 0.80 116.42 129.71 1jkn h ASP 116 Ca -0.41 0.00 -0.01 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 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.37 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.15 -2.03 -3.13 115.11 117.66 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 0.85 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1jkn h GLN 117 CO 0.00 0.04 -0.49 1.49 -1.93 0.00 0.00 178.83 177.94 1jkn h GLU 118 N 0.00 0.00 -6.21 1.69 4.57 0.28 -3.43 114.58 111.48 1jkn h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1jkn h GLU 118 Cb 0.93 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.47 1jkn h GLU 118 CO 0.00 0.49 1.21 0.42 -1.18 0.00 0.00 179.01 179.95 1jkn s ILE 119 N -3.03 3.57 -0.43 2.32 1.01 -1.18 -3.72 121.20 119.75 1jkn s ILE 119 Ca 0.04 0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1jkn s ILE 119 Cb 0.08 -4.24 0.11 0.00 0.01 0.00 0.00 42.46 38.43 1jkn s ILE 119 CO 0.74 -1.10 0.16 0.21 0.00 0.00 0.00 174.94 174.95 1jkn s ASN 120 N 5.96 4.63 0.62 3.58 2.47 0.32 -4.95 114.94 127.56 1jkn s ASN 120 Ca 0.58 -2.52 0.30 0.00 0.42 0.00 0.00 52.86 51.64 1jkn s ASN 120 Cb -0.12 -1.65 1.64 0.00 -1.45 0.00 0.00 41.25 39.66 1jkn s ASN 120 CO 0.22 -0.33 2.00 -0.07 -3.72 0.00 0.00 177.10 175.21 1jkn h LEU 121 N 7.16 0.00 0.50 3.21 3.38 -1.77 -1.66 115.31 126.13 1jkn h LEU 121 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jkn h LEU 121 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.60 0.00 -0.24 -0.07 0.09 0.00 0.00 178.44 178.83 1jkn h LEU 122 N 0.00 -0.57 0.00 1.67 3.38 -1.83 -3.37 115.31 114.59 1jkn h LEU 122 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jkn h LEU 122 Cb 0.73 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1jkn h LEU 122 CO -0.00 -0.36 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1jkn n GLY 123 N -1.20 0.63 2.05 0.83 0.00 -0.65 -3.74 105.19 103.11 1jkn n GLY 123 Ca -0.12 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 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 6.62 -1.47 1.61 5.75 -1.18 -4.57 116.55 126.31 1jkn n ASP 124 Ca 0.00 -3.33 -0.13 0.00 -0.01 0.00 0.00 54.79 51.31 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 -0.21 0.04 1.08 6.12 0.00 -1.26 -4.89 105.19 106.07 1jkn n GLY 125 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.52 0.18 -4.91 1.61 7.64 -1.26 -5.09 113.62 111.26 1jkn n SER 126 Ca -0.16 0.03 -0.27 0.00 1.01 0.00 0.00 58.87 59.48 1jkn n SER 126 Cb 0.60 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.17 2.86 0.44 1.43 -1.05 -1.26 -5.07 118.70 114.87 1jkn s GLU 127 Ca 0.00 0.07 -0.19 0.00 -0.15 0.00 0.00 54.97 54.71 1jkn s GLU 127 Cb 0.00 -2.21 -0.10 0.00 -0.44 0.00 0.00 34.13 31.38 1jkn s GLU 127 CO 0.00 -0.81 0.93 0.15 0.95 0.00 0.00 175.26 176.48 1jkn s LYS 128 N -5.09 4.12 1.03 -4.83 -0.14 -1.26 -4.66 119.74 108.92 1jkn s LYS 128 Ca 0.55 1.00 -0.18 0.00 -1.36 0.00 0.00 55.97 55.98 1jkn s LYS 128 Cb -0.11 -2.21 -0.00 0.00 -1.68 0.00 0.00 37.83 33.83 1jkn s LYS 128 CO 0.46 -0.06 -0.25 -2.30 -0.76 0.00 0.00 175.35 172.44 1jkn n PRO 129 N -0.84 -0.71 0.00 -1.68 -0.02 -1.25 -4.90 135.00 125.60 1jkn n PRO 129 Ca 0.06 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1jkn n PRO 129 Cb 0.54 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.54 0.00 -4.15 -0.52 1.02 -1.26 -5.04 120.64 110.14 1jkn n GLU 130 Ca 0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 1jkn n GLU 130 Cb 0.61 -0.11 -0.05 0.00 -0.02 0.00 0.00 31.44 31.87 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 -1.57 3.02 -0.03 -0.32 0.08 -1.26 -1.93 117.98 115.97 1jkn s PHE 131 Ca 0.00 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1jkn s PHE 131 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.03 1jkn s PHE 131 CO 0.00 0.54 0.10 0.41 -0.10 0.00 0.00 175.22 176.18 1jkn n GLY 132 N -1.05 -0.08 3.61 4.36 0.00 -0.76 -4.67 105.19 106.60 1jkn n GLY 132 Ca -0.08 -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 -2.17 1.85 -0.02 1.61 0.41 -1.25 -5.00 118.70 114.13 1jkn s GLU 133 Ca -0.01 -1.48 -0.24 0.00 -0.41 0.00 0.00 54.97 52.83 1jkn s GLU 133 Cb 0.03 0.50 0.05 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.17 -0.80 0.54 1.67 -0.49 0.00 0.00 175.26 176.35 1jkn s TRP 134 N -3.26 -0.47 0.13 1.61 1.48 -1.26 -0.41 118.94 116.76 1jkn s TRP 134 Ca 0.23 0.74 -0.11 0.00 -1.06 0.00 0.00 56.10 55.91 1jkn s TRP 134 Cb -0.02 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 1jkn s TRP 134 CO 0.14 -0.55 0.28 0.45 -4.06 0.00 0.00 176.95 173.21 1jkn s SER 135 N -1.38 0.01 -0.22 -2.66 0.15 0.22 -4.97 113.70 104.84 1jkn s SER 135 Ca -0.11 -0.67 -0.14 0.00 0.70 0.00 0.00 55.95 55.73 1jkn s SER 135 Cb -0.02 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1jkn s SER 135 CO 0.06 -0.83 0.32 0.26 1.20 0.00 0.00 173.24 174.25 1jkn s TRP 136 N -3.89 3.33 0.04 3.44 0.52 -1.26 -1.18 118.94 119.95 1jkn s TRP 136 Ca 0.10 0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.70 1jkn s TRP 136 Cb 0.03 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.87 1jkn s TRP 136 CO -0.06 -0.02 -0.07 0.14 0.02 0.00 0.00 176.95 176.95 1jkn s VAL 137 N 1.36 0.51 0.71 4.03 -7.23 -1.15 -4.87 120.40 113.75 1jkn s VAL 137 Ca 0.15 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 1jkn s VAL 137 Cb -0.15 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.16 1jkn s VAL 137 CO 0.07 -0.43 1.09 0.42 -0.31 0.00 0.00 175.10 175.94 1jkn s THR 138 N -1.57 3.47 0.66 5.32 -4.23 -1.26 0.92 115.64 118.96 1jkn s THR 138 Ca -0.09 0.55 0.33 0.00 -1.18 0.00 0.00 61.69 61.30 1jkn s THR 138 Cb -0.09 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.99 1jkn s THR 138 CO -0.00 -0.55 2.01 1.55 -0.54 0.00 0.00 174.62 177.08 1jkn h PRO 139 N -0.59 0.00 0.06 3.99 0.13 -1.92 0.33 132.00 134.01 1jkn h PRO 139 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1jkn h PRO 139 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.54 0.00 -1.75 0.93 -0.23 0.00 0.00 178.00 177.49 1jkn h GLU 140 N 0.00 0.13 0.03 0.86 4.39 -1.99 -3.23 114.58 114.77 1jkn h GLU 140 Ca 0.01 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1jkn h GLU 140 Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1jkn h GLU 140 CO -0.00 0.86 -0.01 1.96 -1.16 0.00 0.00 179.01 180.65 1jkn h GLN 141 N 0.04 -0.03 -0.58 2.33 1.08 -0.84 -2.92 115.11 114.18 1jkn h GLN 141 Ca -0.31 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.06 1jkn h GLN 141 Cb 2.01 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1jkn h GLN 141 CO 0.10 0.57 0.42 1.25 -0.95 0.00 0.00 178.83 180.22 1jkn h LEU 142 N -0.67 0.00 -1.22 1.46 5.85 -0.81 1.03 115.31 120.95 1jkn h LEU 142 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jkn h LEU 142 Cb 0.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1jkn h LEU 142 CO 0.01 0.00 -0.37 0.40 -0.34 0.00 0.00 178.44 178.13 1jkn h ILE 143 N 0.00 1.16 0.00 4.05 1.08 -1.55 0.85 117.51 123.10 1jkn h ILE 143 Ca 0.28 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 1jkn h ILE 143 Cb 1.12 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1jkn h ILE 143 CO -0.00 0.37 -0.08 -0.78 -0.69 0.00 0.00 178.15 176.96 1jkn h ASP 144 N 0.00 0.00 0.23 1.72 1.82 0.13 -3.26 116.42 117.06 1jkn h ASP 144 Ca -0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 1jkn h ASP 144 Cb 0.71 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1jkn h ASP 144 CO 0.05 0.05 -1.75 -0.07 -1.61 0.00 0.00 179.24 175.91 1jkn h LEU 145 N 0.00 0.56-10.21 2.28 3.38 -0.54 -3.47 115.31 107.30 1jkn h LEU 145 Ca -0.00 -0.86 -0.53 0.00 0.09 0.00 0.00 57.88 56.57 1jkn h LEU 145 Cb 1.04 -0.18 0.18 0.00 0.09 0.00 0.00 40.66 41.79 1jkn h LEU 145 CO 0.01 1.73 0.33 -0.89 0.09 0.00 0.00 178.44 179.71 1jkn s THR 146 N -2.58 2.03 0.44 0.22 2.01 0.22 -4.43 115.64 113.54 1jkn s THR 146 Ca -0.15 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1jkn s THR 146 Cb 0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1jkn s THR 146 CO 0.85 -0.01 0.70 0.54 -0.69 0.00 0.00 174.62 176.01 1jkn s VAL 147 N -2.17 4.86 0.41 3.82 0.11 -1.26 -4.73 120.40 121.44 1jkn s VAL 147 Ca 0.73 -0.09 0.17 0.00 -2.93 0.00 0.00 61.98 59.87 1jkn s VAL 147 Cb -0.29 -3.82 0.38 0.00 -1.53 0.00 0.00 36.38 31.13 1jkn s VAL 147 CO 0.51 -0.70 1.82 -0.08 -3.33 0.00 0.00 175.10 173.32 1jkn h GLU 148 N 0.40 0.41 -0.18 1.54 4.57 -1.95 0.99 114.58 120.36 1jkn h GLU 148 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1jkn h GLU 148 Cb 1.22 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1jkn h GLU 148 CO 0.61 0.27 0.00 1.97 -1.18 0.00 0.00 179.01 180.68 1jkn n PHE 149 N -4.56 0.24 0.00 0.92 1.16 -1.26 -3.78 117.46 110.18 1jkn n PHE 149 Ca 0.22 -0.12 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 1jkn n PHE 149 Cb 0.76 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 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 0.02 2.63 -0.20 3.97 5.02 0.16 -4.21 118.16 125.55 1jkn n LYS 150 Ca 0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1jkn n LYS 150 Cb 0.15 -0.64 -0.10 0.00 -0.02 0.00 0.00 35.03 34.43 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 -0.29 -0.86 1.97 1.57 0.63 0.54 116.57 120.13 1jkn h LYS 151 Ca 0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1jkn h LYS 151 Cb 0.14 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1jkn h LYS 151 CO 0.00 -0.20 0.56 -1.00 -0.57 0.00 0.00 179.45 178.25 1jkn h PRO 152 N -0.30 1.08 0.00 3.15 0.13 -1.85 0.86 132.00 135.06 1jkn h PRO 152 Ca 0.10 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1jkn h PRO 152 Cb 0.55 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 1jkn h PRO 152 CO -0.68 0.71 -0.14 0.28 -0.23 0.00 0.00 178.00 177.94 1jkn h VAL 153 N 1.11 0.68 0.01 1.56 2.07 -1.47 -2.26 116.25 117.95 1jkn h VAL 153 Ca 0.34 -0.60 -0.25 0.00 0.82 0.00 0.00 66.70 67.00 1jkn h VAL 153 Cb -0.03 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1jkn h VAL 153 CO -0.10 0.14 -1.38 -1.22 0.02 0.00 0.00 177.57 175.03 1jkn n TYR 154 N -3.75 0.98 -0.29 1.57 4.02 0.18 -3.73 117.16 116.13 1jkn n TYR 154 Ca -0.02 0.41 0.23 0.00 -0.01 0.00 0.00 57.90 58.51 1jkn n TYR 154 Cb 0.25 -1.10 0.54 0.00 -0.02 0.00 0.00 39.34 39.01 1jkn n TYR 154 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jkn h LYS 155 N -0.93 0.34 -0.29 -0.72 3.64 0.75 0.43 116.57 119.79 1jkn h LYS 155 Ca -0.37 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1jkn h LYS 155 Cb 1.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1jkn h LYS 155 CO -0.20 0.22 -0.03 1.49 -2.27 0.00 0.00 179.45 178.66 1jkn h GLU 156 N 0.35 0.54 -0.27 1.90 4.57 -1.57 0.81 114.58 120.90 1jkn h GLU 156 Ca 0.55 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1jkn h GLU 156 Cb 1.48 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.01 1jkn h GLU 156 CO -0.22 0.71 0.13 0.28 -1.18 0.00 0.00 179.01 178.73 1jkn h VAL 157 N 0.31 0.98 -0.04 0.32 2.07 -0.34 0.22 116.25 119.77 1jkn h VAL 157 Ca 0.08 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1jkn h VAL 157 Cb 0.49 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jkn h VAL 157 CO 0.02 0.05 -0.00 -0.07 0.02 0.00 0.00 177.57 177.59 1jkn h LEU 158 N 0.27 0.08 -0.68 2.57 3.38 -0.84 -1.48 115.31 118.61 1jkn h LEU 158 Ca 0.11 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 158 Cb 0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1jkn h LEU 158 CO -0.08 0.39 0.16 0.28 0.09 0.00 0.00 178.44 179.29 1jkn h SER 159 N -0.24 0.03 0.73 -0.43 0.02 0.94 1.87 113.55 116.47 1jkn h SER 159 Ca 0.01 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1jkn h SER 159 Cb 0.36 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1jkn h SER 159 CO 0.00 -0.00 -0.22 0.58 -1.14 0.00 0.00 176.83 176.05 1jkn h VAL 160 N 0.28 0.63 -0.17 2.27 2.07 -0.48 -2.72 116.25 118.13 1jkn h VAL 160 Ca 0.37 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jkn h VAL 160 Cb 0.59 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1jkn h VAL 160 CO -0.45 0.22 0.00 0.49 0.02 0.00 0.00 177.57 177.85 1jkn n PHE 161 N -3.50 0.19 0.01 1.57 3.72 0.16 -4.58 117.46 115.02 1jkn n PHE 161 Ca -0.01 -0.11 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 1jkn n PHE 161 Cb 0.39 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 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 4.21 -0.40 -0.04 4.37 0.00 0.30 0.23 119.26 127.93 1jkn h ALA 162 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jkn h ALA 162 Cb 0.92 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jkn h ALA 162 CO 0.00 -0.81 0.25 -1.00 0.00 0.00 0.00 179.25 177.69 1jkn h PRO 163 N -0.41 0.00 0.00 0.00 0.13 -1.81 0.32 132.00 130.23 1jkn h PRO 163 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1jkn h PRO 163 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1jkn h PRO 163 CO -0.35 0.00 -1.02 0.45 -0.23 0.00 0.00 178.00 176.85 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.30 -3.54 115.15 115.73 1jkn h HIS 164 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jkn h HIS 164 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1jkn h HIS 164 CO 0.00 0.11 0.00 1.47 0.86 0.00 0.00 177.93 180.37