#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn n PRO 2 N 0.00 -2.71 -0.42 1.61 -0.04 -1.26 -5.02 135.00 127.16 1jkn n PRO 2 Ca 0.00 -1.42 -0.29 0.00 -0.04 0.00 0.00 63.50 61.75 1jkn n PRO 2 Cb 0.00 -1.32 0.27 0.00 -0.04 0.00 0.00 33.50 32.41 1jkn n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1jkn s LEU 3 N 0.00 0.05 0.00 1.53 2.34 -1.26 -4.79 118.68 116.55 1jkn s LEU 3 Ca 0.57 1.33 0.00 0.00 0.06 0.00 0.00 54.13 56.09 1jkn s LEU 3 Cb -0.06 -3.04 0.00 0.00 -0.56 0.00 0.00 46.19 42.53 1jkn s LEU 3 CO 0.44 -4.73 0.00 0.61 -1.06 0.00 0.00 176.35 171.61 1jkn n GLY 4 N 1.21 1.28 3.45 -3.48 0.00 -1.26 -4.37 105.19 102.02 1jkn n GLY 4 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -0.62 0.00 1.61 1.04 -1.22 -4.59 113.70 107.92 1jkn s SER 5 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1jkn s SER 5 Cb 0.00 1.65 0.00 0.00 0.10 0.00 0.00 66.02 67.77 1jkn s SER 5 CO 0.00 -0.12 0.00 0.23 0.98 0.00 0.00 173.24 174.33 1jkn n MET 6 N 4.84 0.56 -1.47 4.02 2.81 -0.94 -4.95 117.12 122.00 1jkn n MET 6 Ca -0.11 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.76 1jkn n MET 6 Cb 0.53 -0.73 -0.01 0.00 -0.71 0.00 0.00 33.22 32.30 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 -1.72 -2.63 0.00 7.83 8.00 -1.26 -4.88 116.55 121.89 1jkn n ASP 7 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1jkn n ASP 7 Cb 0.23 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jkn n SER 8 N 1.55 0.00 -4.60 -2.24 7.64 -1.26 -4.88 113.62 109.83 1jkn n SER 8 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.42 1jkn n SER 8 Cb 0.26 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.75 3.27 0.73 1.43 0.04 -1.26 -4.83 135.00 133.63 1jkn s PRO 9 Ca 0.00 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1jkn s PRO 9 Cb 0.00 -4.25 0.17 0.00 0.04 0.00 0.00 34.50 30.46 1jkn s PRO 9 CO 0.00 -1.93 0.95 -2.30 0.04 0.00 0.00 177.00 173.76 1jkn n PRO 10 N 8.52 -1.12 -3.28 0.56 -0.02 -1.26 -5.07 135.00 133.34 1jkn n PRO 10 Ca 0.25 -1.48 -0.30 0.00 -2.02 0.00 0.00 63.50 59.95 1jkn n PRO 10 Cb 0.46 -1.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 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 -5.09 3.75 0.00 -0.52 2.02 -1.26 -4.17 118.70 113.42 1jkn s GLU 11 Ca 0.55 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1jkn s GLU 11 Cb -0.02 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1jkn s GLU 11 CO 0.39 0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1jkn n GLY 12 N -0.63 3.04 3.60 -1.39 0.00 -1.26 -5.02 105.19 103.52 1jkn n GLY 12 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.44 3.02 0.46 1.61 1.51 -1.26 -1.65 117.35 118.59 1jkn s TYR 13 Ca 0.00 0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.89 1jkn s TYR 13 Cb 0.00 -1.78 -0.09 0.00 -0.11 0.00 0.00 41.96 39.98 1jkn s TYR 13 CO 0.00 0.30 0.94 1.03 -1.11 0.00 0.00 175.55 176.71 1jkn s ARG 14 N -0.62 4.07 0.15 -0.62 0.52 -1.16 -4.55 118.95 116.74 1jkn s ARG 14 Ca 0.10 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.98 1jkn s ARG 14 Cb -0.12 -2.19 -0.08 0.00 0.52 0.00 0.00 34.95 33.08 1jkn s ARG 14 CO 0.02 -0.12 1.27 1.03 0.02 0.00 0.00 175.30 177.52 1jkn s ARG 15 N -3.58 4.41 0.08 3.54 0.52 -1.26 -2.34 118.95 120.32 1jkn s ARG 15 Ca 0.59 1.95 -0.16 0.00 -0.52 0.00 0.00 55.73 57.59 1jkn s ARG 15 Cb -0.10 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.16 1jkn s ARG 15 CO 0.22 -0.24 0.39 1.21 0.02 0.00 0.00 175.30 176.90 1jkn s ASN 16 N 0.55 -0.23 -0.04 0.23 3.84 -1.20 -1.34 114.94 116.75 1jkn s ASN 16 Ca 0.57 -0.18 0.03 0.00 0.21 0.00 0.00 52.86 53.50 1jkn s ASN 16 Cb -0.34 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 40.80 1jkn s ASN 16 CO 0.35 -0.74 -0.13 0.68 -2.79 0.00 0.00 177.10 174.46 1jkn s VAL 17 N -3.09 1.11 0.20 -5.21 -7.23 0.23 -2.86 120.40 103.56 1jkn s VAL 17 Ca -0.01 -0.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 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 -0.07 0.34 0.14 -0.83 -0.31 0.00 0.00 175.10 174.37 1jkn s GLY 18 N 0.23 1.60 -0.32 2.32 0.00 -1.25 -0.62 107.32 109.27 1jkn s GLY 18 Ca -0.06 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.37 1jkn s GLY 18 CO 0.02 -1.36 0.02 -0.42 0.00 0.00 0.00 173.10 171.36 1jkn s ILE 19 N -1.93 2.17 -0.72 0.90 -1.09 -0.61 -2.35 121.20 117.57 1jkn s ILE 19 Ca 0.31 -2.15 -0.21 0.00 -2.23 0.00 0.00 60.65 56.38 1jkn s ILE 19 Cb -0.09 -2.54 0.09 0.00 -1.58 0.00 0.00 42.46 38.34 1jkn s ILE 19 CO 0.23 -0.49 0.97 0.00 -1.23 0.00 0.00 174.94 174.42 1jkn s LEU 21 N 3.46 4.10 0.16 0.00 2.96 -1.26 0.16 118.68 128.25 1jkn s LEU 21 Ca 0.23 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1jkn s LEU 21 Cb -0.15 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1jkn s LEU 21 CO 0.04 0.28 -0.14 0.00 -1.32 0.00 0.00 176.35 175.21 1jkn s MET 22 N -1.76 1.16 0.42 1.98 0.23 -0.01 0.11 119.30 121.43 1jkn s MET 22 Ca 0.24 -1.41 0.08 0.00 -1.03 0.00 0.00 55.69 53.57 1jkn s MET 22 Cb -0.12 -0.97 0.00 0.00 -1.53 0.00 0.00 34.83 32.21 1jkn s MET 22 CO 0.15 0.17 0.52 0.54 -2.03 0.00 0.00 175.02 174.37 1jkn s ASN 23 N -2.87 5.46 0.57 -1.18 4.22 -0.78 -1.79 114.94 118.57 1jkn s ASN 23 Ca 0.15 -0.53 0.28 0.00 -2.14 0.00 0.00 52.86 50.62 1jkn s ASN 23 Cb -0.02 -0.60 1.52 0.00 1.28 0.00 0.00 41.25 43.43 1jkn s ASN 23 CO 0.04 -0.75 1.83 -1.13 -2.04 0.00 0.00 177.10 175.06 1jkn h ASN 24 N 0.74 0.00 -0.02 3.54 -0.73 -1.92 0.69 115.58 117.88 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.77 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1jkn h ASN 24 CO 0.49 0.00 0.00 0.47 -0.37 0.00 0.00 177.43 178.02 1jkn n ASP 25 N -2.69 1.34 -0.33 1.15 9.92 -1.26 -4.91 116.55 119.77 1jkn n ASP 25 Ca -0.02 -1.45 -0.03 0.00 -0.53 0.00 0.00 54.79 52.75 1jkn n ASP 25 Cb 0.30 -0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.77 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 0.05 -0.25 -2.67 -1.24 5.02 0.24 -5.05 118.16 114.27 1jkn n LYS 26 Ca 0.19 0.38 -0.22 0.00 -2.02 0.00 0.00 58.31 56.65 1jkn n LYS 26 Cb 0.33 -4.05 0.06 0.00 -0.02 0.00 0.00 35.03 31.35 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 -3.27 2.24 -0.22 1.97 1.02 -1.24 -4.80 119.74 115.44 1jkn s LYS 27 Ca 0.00 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 1jkn s LYS 27 Cb 0.00 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1jkn s LYS 27 CO 0.00 -0.95 -0.03 0.42 -0.92 0.00 0.00 175.35 173.86 1jkn s ILE 28 N -2.86 3.45 -0.31 2.17 1.09 0.24 -1.86 121.20 123.12 1jkn s ILE 28 Ca 0.61 -0.47 -0.33 0.00 -1.10 0.00 0.00 60.65 59.36 1jkn s ILE 28 Cb -0.08 -2.57 -0.09 0.00 -1.06 0.00 0.00 42.46 38.65 1jkn s ILE 28 CO 0.40 0.42 2.20 0.33 -0.10 0.00 0.00 174.94 178.19 1jkn n PHE 29 N 4.80 1.72 -4.96 3.97 -0.00 0.29 -3.01 117.46 120.27 1jkn n PHE 29 Ca -0.18 0.15 -0.33 0.00 -0.00 0.00 0.00 57.45 57.09 1jkn n PHE 29 Cb 0.51 -2.60 -0.15 0.00 -0.00 0.00 0.00 39.48 37.24 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 7.65 2.43 -0.05 3.13 0.00 -0.36 -4.61 121.76 129.96 1jkn s ALA 30 Ca 1.07 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1jkn s ALA 30 Cb -0.69 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1jkn s ALA 30 CO 0.45 0.26 -0.19 0.00 0.00 0.00 0.00 175.76 176.28 1jkn s ALA 31 N 0.35 2.46 0.50 0.00 0.00 0.48 0.10 121.76 125.65 1jkn s ALA 31 Ca -0.14 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1jkn s ALA 31 Cb -0.17 -0.82 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 1jkn s ALA 31 CO 0.07 0.52 0.92 -1.54 0.00 0.00 0.00 175.76 175.73 1jkn s SER 32 N -0.57 6.52 0.68 0.00 1.04 0.13 -0.41 113.70 121.09 1jkn s SER 32 Ca 0.08 1.40 -0.13 0.00 0.48 0.00 0.00 55.95 57.78 1jkn s SER 32 Cb -0.11 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1jkn s SER 32 CO 0.01 -0.57 1.08 -0.13 0.98 0.00 0.00 173.24 174.61 1jkn s ARG 33 N -4.19 2.78 0.00 4.02 0.52 0.47 -2.48 118.95 120.08 1jkn s ARG 33 Ca 0.56 1.20 0.26 0.00 -0.52 0.00 0.00 55.73 57.22 1jkn s ARG 33 Cb -0.10 -1.96 0.61 0.00 0.52 0.00 0.00 34.95 34.02 1jkn s ARG 33 CO 0.35 -1.24 1.47 1.28 0.02 0.00 0.00 175.30 177.19 1jkn n LEU 34 N -2.79 1.14 0.00 2.53 4.77 -1.09 -4.20 117.00 117.36 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 41.51 1jkn n LEU 34 CO 0.51 0.22 -0.33 0.47 -1.33 0.00 0.00 177.39 176.92 1jkn n ASP 35 N -0.62 3.30 -4.12 -1.43 9.92 -1.26 -4.98 116.55 117.36 1jkn n ASP 35 Ca 0.11 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.04 1jkn n ASP 35 Cb 0.36 0.61 -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 -1.37 2.42 0.18 0.53 1.01 -1.26 -5.09 121.20 117.62 1jkn s ILE 36 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 60.65 58.96 1jkn s ILE 36 Cb 0.00 -2.32 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 1jkn s ILE 36 CO 0.00 0.09 1.51 -2.16 0.00 0.00 0.00 174.94 174.37 1jkn s PRO 37 N 1.20 4.24 0.00 2.79 0.04 -1.26 -1.92 135.00 140.08 1jkn s PRO 37 Ca -0.05 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.05 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.47 -1.10 -4.46 6.66 -0.08 -1.26 -4.97 116.55 114.82 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 0.39 -0.50 -0.03 0.00 2.34 0.00 0.00 41.12 43.32 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 -3.05 3.15 0.19 -1.67 0.00 -0.81 -4.96 121.76 114.60 1jkn s ALA 39 Ca 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 51.96 49.95 1jkn s ALA 39 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1jkn s ALA 39 CO 0.00 -2.86 0.29 -1.58 0.00 0.00 0.00 175.76 171.60 1jkn s TRP 40 N 3.83 3.41 0.13 0.00 0.52 -1.26 0.18 118.94 125.75 1jkn s TRP 40 Ca 0.26 0.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.27 1jkn s TRP 40 Cb -0.13 -1.60 0.05 0.00 -1.15 0.00 0.00 33.47 30.64 1jkn s TRP 40 CO 0.05 0.49 0.73 0.00 0.02 0.00 0.00 176.95 178.24 1jkn n GLN 41 N -0.85 0.47 -4.20 4.98 10.64 0.45 -4.34 117.38 124.54 1jkn n GLN 41 Ca -0.08 -1.06 -0.25 0.00 -1.83 0.00 0.00 57.00 53.79 1jkn n GLN 41 Cb 0.55 1.43 -0.07 0.00 -0.86 0.00 0.00 30.24 31.30 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 -2.04 2.51 0.37 2.61 -1.94 -1.26 -0.39 119.30 119.17 1jkn s MET 42 Ca 0.16 -1.16 -0.25 0.00 -1.71 0.00 0.00 55.69 52.74 1jkn s MET 42 Cb -0.02 -2.37 -0.13 0.00 2.01 0.00 0.00 34.83 34.33 1jkn s MET 42 CO 0.04 0.43 0.80 -2.30 -0.01 0.00 0.00 175.02 173.97 1jkn n PRO 43 N -0.52 0.95 -3.67 2.03 -0.02 -1.25 -4.85 135.00 127.67 1jkn n PRO 43 Ca -0.08 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1jkn n PRO 43 Cb 0.57 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 1jkn n PRO 43 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1jkn s GLN 44 N -1.66 0.73 -0.28 -0.52 -2.07 -1.26 -1.57 119.66 113.02 1jkn s GLN 44 Ca 0.62 0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 54.34 1jkn s GLN 44 Cb -0.64 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 31.72 1jkn s GLN 44 CO 0.58 -0.16 0.78 0.20 -1.32 0.00 0.00 175.29 175.36 1jkn s GLY 45 N -0.51 -0.46 0.37 2.60 0.00 0.21 -4.86 107.32 104.67 1jkn s GLY 45 Ca -0.06 2.49 -0.28 0.00 0.00 0.00 0.00 44.72 46.87 1jkn s GLY 45 CO 0.04 2.24 1.42 -0.32 0.00 0.00 0.00 173.10 176.49 1jkn s GLY 46 N 1.18 2.96 0.73 0.20 0.00 -1.26 0.78 107.32 111.91 1jkn s GLY 46 Ca -0.06 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 46.01 1jkn s GLY 46 CO -0.13 2.13 1.07 -0.42 0.00 0.00 0.00 173.10 175.75 1jkn s ILE 47 N -1.14 3.75 0.64 0.90 1.01 -0.45 -4.75 121.20 121.15 1jkn s ILE 47 Ca 0.52 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.67 1jkn s ILE 47 Cb -0.44 -3.23 0.14 0.00 0.01 0.00 0.00 42.46 38.94 1jkn s ILE 47 CO 0.59 -0.74 0.87 0.47 0.00 0.00 0.00 174.94 176.13 1jkn n ASP 48 N -3.28 0.48 -4.55 3.58 9.92 -1.26 -4.88 116.55 116.55 1jkn n ASP 48 Ca 0.08 -1.57 -0.40 0.00 -0.53 0.00 0.00 54.79 52.37 1jkn n ASP 48 Cb 0.54 -0.63 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 1jkn n ASP 48 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1jkn s GLU 49 N -4.81 3.10 -0.14 -1.24 1.03 -1.26 -3.38 118.70 111.99 1jkn s GLU 49 Ca 0.53 -0.13 -0.00 0.00 0.03 0.00 0.00 54.97 55.39 1jkn s GLU 49 Cb -0.02 -4.31 0.00 0.00 -0.80 0.00 0.00 34.13 29.00 1jkn s GLU 49 CO 0.36 -2.28 0.12 0.41 -1.33 0.00 0.00 175.26 172.54 1jkn n GLY 50 N 5.56 0.50 3.44 -3.83 0.00 -1.26 -5.07 105.19 104.54 1jkn n GLY 50 Ca 0.09 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.51 2.06 0.24 1.61 2.12 -1.22 -5.11 118.70 113.89 1jkn s GLU 51 Ca 0.02 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 1jkn s GLU 51 Cb -0.01 -2.17 -0.09 0.00 0.26 0.00 0.00 34.13 32.12 1jkn s GLU 51 CO 0.08 0.54 1.19 0.34 -0.54 0.00 0.00 175.26 176.88 1jkn s ASP 52 N -1.38 7.08 0.15 -1.70 -1.08 -1.26 -4.77 116.67 113.71 1jkn s ASP 52 Ca 0.14 2.33 -0.19 0.00 -0.52 0.00 0.00 52.55 54.32 1jkn s ASP 52 Cb -0.10 -2.62 0.04 0.00 -1.46 0.00 0.00 42.92 38.78 1jkn s ASP 52 CO 0.05 -0.34 1.68 -0.65 0.52 0.00 0.00 175.17 176.42 1jkn h PRO 53 N 4.52 -0.04 0.00 4.34 0.11 -1.97 0.41 132.00 139.37 1jkn h PRO 53 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.21 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jkn h PRO 53 CO 0.71 -0.03 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.32 1jkn h ARG 54 N -0.04 0.00 0.00 1.05 2.43 -1.92 -1.01 114.38 114.89 1jkn h ARG 54 Ca 0.15 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1jkn h ARG 54 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1jkn h ARG 54 CO -0.33 0.06 -0.43 -0.91 -1.51 0.00 0.00 179.97 176.86 1jkn h ASN 55 N 0.00 0.00 -0.37 -3.80 2.35 -1.48 -2.74 115.58 109.54 1jkn h ASN 55 Ca -0.00 -0.70 0.08 0.00 -0.55 0.00 0.00 56.30 55.13 1jkn h ASN 55 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1jkn h ASN 55 CO 0.01 1.10 0.26 0.00 -1.65 0.00 0.00 177.43 177.14 1jkn h ALA 56 N -0.30 2.17 0.13 -0.83 0.00 -0.11 0.01 119.26 120.33 1jkn h ALA 56 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jkn h ALA 56 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jkn h ALA 56 CO -0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 179.25 178.86 1jkn h ALA 57 N 1.81 -0.17 -0.42 0.00 0.00 -1.30 0.67 119.26 119.86 1jkn h ALA 57 Ca 0.17 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1jkn h ALA 57 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1jkn h ALA 57 CO -0.02 -0.26 0.35 0.82 0.00 0.00 0.00 179.25 180.14 1jkn h ILE 58 N -0.83 0.58 0.00 0.00 2.04 -1.09 0.82 117.51 119.03 1jkn h ILE 58 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1jkn h ILE 58 Cb 0.55 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1jkn h ILE 58 CO 0.03 0.00 -0.40 -0.09 0.00 0.00 0.00 178.15 177.69 1jkn h ARG 59 N 0.00 0.00 -0.52 2.37 2.43 -0.95 -3.35 114.38 114.35 1jkn h ARG 59 Ca 0.20 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 1jkn h ARG 59 Cb 0.90 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1jkn h ARG 59 CO -0.00 0.69 0.36 0.93 -1.51 0.00 0.00 179.97 180.43 1jkn h GLU 60 N -1.00 0.30 0.27 0.20 4.39 0.13 -2.87 114.58 116.01 1jkn h GLU 60 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1jkn h GLU 60 Cb 0.83 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1jkn h GLU 60 CO -0.06 0.20 -0.44 1.25 -1.16 0.00 0.00 179.01 178.80 1jkn h LEU 61 N 0.31 -1.27 -0.23 1.33 5.85 0.49 0.92 115.31 122.71 1jkn h LEU 61 Ca 0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1jkn h LEU 61 Cb 0.55 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1jkn h LEU 61 CO -0.05 -0.53 0.00 -2.11 -0.34 0.00 0.00 178.44 175.41 1jkn n ARG 62 N -5.03 0.03 -0.04 1.25 1.85 -1.10 0.45 116.66 114.08 1jkn n ARG 62 Ca -0.09 0.47 -0.21 0.00 -1.00 0.00 0.00 57.85 57.02 1jkn n ARG 62 Cb 0.37 -1.58 -0.13 0.00 -1.05 0.00 0.00 32.46 30.07 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 -1.64 0.71 -0.02 2.89 1.02 0.46 0.10 120.64 124.17 1jkn n GLU 63 Ca 0.00 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1jkn n GLU 63 Cb 0.04 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 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 -3.65 0.66 -0.00 3.49 -0.58 0.29 -3.80 120.64 117.05 1jkn n GLU 64 Ca -0.35 0.28 0.01 0.00 -0.42 0.00 0.00 57.16 56.69 1jkn n GLU 64 Cb 0.97 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 30.05 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 -3.14 0.05 -0.93 2.62 -2.24 0.17 -4.60 114.28 106.21 1jkn n THR 65 Ca -0.21 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jkn n THR 65 Cb 1.05 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 2.38 0.55 3.65 3.38 0.00 -0.33 0.54 105.19 115.36 1jkn n GLY 66 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.47 3.77 -0.15 1.61 1.01 -1.25 -4.10 120.40 118.82 1jkn s VAL 67 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 61.98 62.95 1jkn s VAL 67 Cb 0.00 -3.67 -0.23 0.00 0.00 0.00 0.00 36.38 32.48 1jkn s VAL 67 CO 0.00 -0.17 0.23 0.35 0.00 0.00 0.00 175.10 175.51 1jkn n THR 68 N 5.82 1.58 -2.82 3.92 -2.24 -1.26 -3.94 114.28 115.34 1jkn n THR 68 Ca 0.17 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 1jkn n THR 68 Cb 0.44 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 -3.15 5.22 -3.71 3.42 7.64 -1.26 -4.91 113.62 116.88 1jkn n SER 69 Ca -0.32 -3.02 -0.11 0.00 1.01 0.00 0.00 58.87 56.43 1jkn n SER 69 Cb 1.06 -1.54 -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 1.11 -0.83 0.10 -0.43 0.00 -1.26 0.84 121.76 121.30 1jkn s ALA 70 Ca 0.41 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO 0.00 -0.27 -0.27 -1.21 0.00 0.00 0.00 175.76 174.01 1jkn s GLU 71 N 1.44 1.54 -0.07 0.00 0.41 -0.89 -4.89 118.70 116.23 1jkn s GLU 71 Ca -0.09 -1.27 -0.30 0.00 -0.41 0.00 0.00 54.97 52.91 1jkn s GLU 71 Cb -0.10 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.30 1jkn s GLU 71 CO -0.11 0.47 1.08 0.08 -0.49 0.00 0.00 175.26 176.29 1jkn s VAL 72 N -0.98 4.58 -0.03 2.63 1.01 -1.25 0.12 120.40 126.48 1jkn s VAL 72 Ca 0.13 1.86 0.16 0.00 0.00 0.00 0.00 61.98 64.14 1jkn s VAL 72 Cb -0.10 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 1jkn s VAL 72 CO 0.05 0.02 0.34 -0.38 0.00 0.00 0.00 175.10 175.13 1jkn n ILE 73 N 4.50 0.04 -3.67 2.22 2.08 0.19 -4.88 119.36 119.84 1jkn n ILE 73 Ca 0.09 -0.38 -0.10 0.00 0.56 0.00 0.00 62.75 62.92 1jkn n ILE 73 Cb 0.48 0.10 -0.04 0.00 -0.75 0.00 0.00 39.64 39.43 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 -3.10 -1.05 -0.17 -1.39 0.00 -1.15 -4.96 121.76 109.94 1jkn s ALA 74 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 1jkn s ALA 74 Cb 0.10 0.83 0.08 0.00 0.00 0.00 0.00 23.12 24.13 1jkn s ALA 74 CO 0.68 -0.77 0.31 -1.83 0.00 0.00 0.00 175.76 174.14 1jkn s GLU 75 N -3.84 0.22 0.08 0.00 1.03 -1.26 0.75 118.70 115.67 1jkn s GLU 75 Ca 0.07 0.72 -0.33 0.00 0.03 0.00 0.00 54.97 55.46 1jkn s GLU 75 Cb -0.01 -0.15 -0.12 0.00 -0.80 0.00 0.00 34.13 33.05 1jkn s GLU 75 CO -0.06 -0.37 1.77 0.28 -1.33 0.00 0.00 175.26 175.54 1jkn n VAL 76 N 5.36 0.30 0.29 1.83 0.31 -0.67 -4.85 118.33 120.90 1jkn n VAL 76 Ca -0.06 -0.05 0.17 0.00 -0.01 0.00 0.00 64.34 64.38 1jkn n VAL 76 Cb 0.50 -1.87 0.81 0.00 -0.91 0.00 0.00 33.84 32.37 1jkn n VAL 76 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jkn h PRO 77 N 7.87 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 140.12 1jkn h PRO 77 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 1jkn h PRO 77 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 1jkn h PRO 77 CO 0.93 0.00 -0.32 2.48 -0.23 0.00 0.00 178.00 180.86 1jkn n TYR 78 N -2.73 0.47 -4.24 1.56 0.18 -1.26 -4.73 117.16 106.41 1jkn n TYR 78 Ca -0.01 -1.73 -0.31 0.00 1.88 0.00 0.00 57.90 57.73 1jkn n TYR 78 Cb 0.15 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 38.90 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 -2.40 2.98 -0.24 -3.48 0.52 -1.26 -4.59 118.94 110.47 1jkn s TRP 79 Ca 0.06 -0.00 -0.04 0.00 0.02 0.00 0.00 56.10 56.14 1jkn s TRP 79 Cb 0.00 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.74 1jkn s TRP 79 CO 0.05 0.45 -0.03 -0.51 0.02 0.00 0.00 176.95 176.93 1jkn s LEU 80 N -1.91 3.13 -0.13 2.99 1.43 0.25 -2.20 118.68 122.25 1jkn s LEU 80 Ca 0.22 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1jkn s LEU 80 Cb -0.11 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1jkn s LEU 80 CO 0.14 -0.08 -0.08 0.42 0.23 0.00 0.00 176.35 176.98 1jkn s THR 81 N 1.44 3.55 0.33 5.49 -4.23 -1.26 -1.71 115.64 119.25 1jkn s THR 81 Ca 0.04 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1jkn s THR 81 Cb -0.15 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.11 1jkn s THR 81 CO -0.03 0.53 0.04 -0.72 -0.54 0.00 0.00 174.62 173.90 1jkn s TYR 82 N 0.09 2.05 0.13 3.99 1.13 -1.25 -4.62 117.35 118.87 1jkn s TYR 82 Ca -0.03 -0.89 0.05 0.00 -1.41 0.00 0.00 57.07 54.79 1jkn s TYR 82 Cb -0.14 -1.34 -0.04 0.00 -1.10 0.00 0.00 41.96 39.33 1jkn s TYR 82 CO 0.03 0.10 -0.11 0.16 -2.51 0.00 0.00 175.55 173.23 1jkn s ASP 83 N -3.52 1.76 0.17 -0.18 1.47 -1.26 -3.58 116.67 111.54 1jkn s ASP 83 Ca 0.36 -0.95 0.07 0.00 1.18 0.00 0.00 52.55 53.21 1jkn s ASP 83 Cb 0.09 -0.02 -0.04 0.00 -0.34 0.00 0.00 42.92 42.61 1jkn s ASP 83 CO 0.16 -0.29 0.03 -0.36 0.68 0.00 0.00 175.17 175.38 1jkn s PHE 84 N -3.00 2.91 1.19 2.11 0.08 -1.26 -4.80 117.98 115.22 1jkn s PHE 84 Ca 0.14 -0.11 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 1jkn s PHE 84 Cb 0.01 -1.41 0.29 0.00 -0.57 0.00 0.00 43.02 41.33 1jkn s PHE 84 CO 0.01 0.52 1.02 -1.25 -0.10 0.00 0.00 175.22 175.42 1jkn s PRO 85 N -2.93 -1.13 0.45 0.24 0.04 -1.26 -4.36 135.00 126.06 1jkn s PRO 85 Ca 0.28 0.61 0.31 0.00 0.04 0.00 0.00 61.00 62.24 1jkn s PRO 85 Cb -0.10 -1.55 1.54 0.00 0.04 0.00 0.00 34.50 34.44 1jkn s PRO 85 CO 0.19 -3.80 1.94 -1.00 0.04 0.00 0.00 177.00 174.37 1jkn h PRO 86 N -2.67 0.00 0.04 0.56 0.13 -2.00 0.63 132.00 128.69 1jkn h PRO 86 Ca -0.58 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.22 1jkn h PRO 86 Cb 1.34 0.00 -0.04 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 -2.65 0.68 -0.03 0.86 3.00 -1.26 -3.06 118.16 115.70 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 1.41 -0.44 3.15 2.07 -1.76 -2.08 116.25 118.62 1jkn h VAL 88 Ca -0.39 -2.38 0.01 0.00 0.82 0.00 0.00 66.70 64.76 1jkn h VAL 88 Cb 2.04 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 34.79 1jkn h VAL 88 CO 0.06 0.61 0.29 -0.09 0.02 0.00 0.00 177.57 178.46 1jkn h ARG 89 N -0.69 0.57 0.00 1.57 2.43 0.06 0.66 114.38 118.98 1jkn h ARG 89 Ca -0.16 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1jkn h ARG 89 Cb 1.38 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1jkn h ARG 89 CO 0.02 0.38 -0.29 1.49 -1.51 0.00 0.00 179.97 180.06 1jkn h GLU 90 N 0.59 0.00 0.07 0.20 4.81 -1.67 -2.06 114.58 116.51 1jkn h GLU 90 Ca 0.16 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1jkn h GLU 90 Cb -0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1jkn h GLU 90 CO -0.04 0.29 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.86 1jkn h LYS 91 N 0.00 0.19 -0.44 1.92 3.11 -0.49 -3.33 116.57 117.53 1jkn h LYS 91 Ca -0.00 -0.29 0.02 0.00 -2.81 0.00 0.00 60.65 57.56 1jkn h LYS 91 Cb 0.66 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.97 1jkn h LYS 91 CO 0.04 1.11 0.27 -0.07 -2.81 0.00 0.00 179.45 177.99 1jkn h LEU 92 N -0.57 0.45 -1.79 5.20 3.38 0.34 0.55 115.31 122.87 1jkn h LEU 92 Ca -0.08 -0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.28 1jkn h LEU 92 Cb 1.32 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1jkn h LEU 92 CO 0.09 0.32 0.92 0.78 0.09 0.00 0.00 178.44 180.63 1jkn h ASN 93 N 0.55 0.12 0.00 -0.43 2.35 -1.48 1.77 115.58 118.46 1jkn h ASN 93 Ca 0.17 0.04 -0.39 0.00 -0.55 0.00 0.00 56.30 55.57 1jkn h ASN 93 Cb -0.01 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1jkn h ASN 93 CO -0.07 -0.01 -2.11 -0.38 -1.65 0.00 0.00 177.43 173.21 1jkn n ILE 94 N -4.30 1.53 0.17 2.81 5.41 -0.54 -2.74 119.36 121.70 1jkn n ILE 94 Ca 0.31 -0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 1jkn n ILE 94 Cb 1.34 -1.92 -0.08 0.00 -0.71 0.00 0.00 39.64 38.27 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 -0.96 -0.44 0.05 0.38 4.20 0.91 -3.29 115.11 115.96 1jkn h GLN 95 Ca -0.58 0.03 -0.24 0.00 0.06 0.00 0.00 58.65 57.92 1jkn h GLN 95 Cb 1.53 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1jkn h GLN 95 CO -0.34 -0.12 -1.04 -1.49 -0.67 0.00 0.00 178.83 175.17 1jkn h TRP 96 N -0.82 0.54 -0.71 2.96 4.06 0.23 -3.48 115.95 118.72 1jkn h TRP 96 Ca -0.05 -0.33 -0.01 0.00 2.06 0.00 0.00 58.89 60.57 1jkn h TRP 96 Cb 0.52 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1jkn h TRP 96 CO 0.02 1.18 -0.01 0.41 -3.56 0.00 0.00 178.44 176.48 1jkn n GLY 97 N 1.15 0.73 3.25 1.49 0.00 0.99 -4.98 105.19 107.82 1jkn n GLY 97 Ca -0.07 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 2.36 -0.49 1.61 0.01 -1.23 -4.98 113.70 107.97 1jkn s SER 98 Ca 0.01 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.71 1jkn s SER 98 Cb -0.00 -0.16 0.44 0.00 0.21 0.00 0.00 66.02 66.51 1jkn s SER 98 CO 0.01 0.09 1.52 0.47 0.41 0.00 0.00 173.24 175.73 1jkn n ASP 99 N 1.50 6.00 -4.86 2.44 8.00 -1.26 -3.87 116.55 124.49 1jkn n ASP 99 Ca -0.18 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.24 1jkn n ASP 99 Cb 0.54 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1jkn s TRP 100 N -3.71 3.37 0.21 1.24 0.52 -1.26 -5.01 118.94 114.30 1jkn s TRP 100 Ca 0.55 0.17 0.09 0.00 0.02 0.00 0.00 56.10 56.92 1jkn s TRP 100 Cb 0.44 -1.69 0.13 0.00 -1.15 0.00 0.00 33.47 31.20 1jkn s TRP 100 CO -0.07 0.56 1.48 0.87 0.02 0.00 0.00 176.95 179.81 1jkn h LYS 101 N 3.12 0.01 0.00 4.98 6.56 -1.70 -3.49 116.57 126.05 1jkn h LYS 101 Ca -0.46 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1jkn h LYS 101 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.71 0.78 0.00 0.41 -2.06 0.00 0.00 179.45 179.29 1jkn n GLY 102 N 0.69 1.98 3.36 3.86 0.00 -1.26 -4.09 105.19 109.73 1jkn n GLY 102 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 4.96 0.52 -0.55 1.61 0.00 -1.23 -2.97 119.66 121.99 1jkn s GLN 103 Ca 0.00 1.16 -0.24 0.00 -0.00 0.00 0.00 55.36 56.28 1jkn s GLN 103 Cb 0.00 0.57 0.04 0.00 0.00 0.00 0.00 33.01 33.62 1jkn s GLN 103 CO 0.00 -0.39 0.96 0.00 0.00 0.00 0.00 175.29 175.86 1jkn s ALA 104 N 2.81 3.15 0.24 2.60 0.00 -0.99 -3.92 121.76 125.66 1jkn s ALA 104 Ca 0.05 -1.20 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1jkn s ALA 104 Cb -0.13 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 1jkn s ALA 104 CO -0.19 -2.40 -0.13 1.14 0.00 0.00 0.00 175.76 174.18 1jkn s GLN 105 N 4.02 1.89 -0.49 0.00 -2.07 -0.69 -3.28 119.66 119.03 1jkn s GLN 105 Ca 0.31 -1.53 -0.02 0.00 -1.82 0.00 0.00 55.36 52.31 1jkn s GLN 105 Cb -0.12 -1.97 0.13 0.00 -1.09 0.00 0.00 33.01 29.96 1jkn s GLN 105 CO 0.20 0.37 0.29 0.15 -1.32 0.00 0.00 175.29 174.98 1jkn s LYS 106 N -3.25 2.18 0.49 9.60 -0.14 -1.14 0.88 119.74 128.37 1jkn s LYS 106 Ca 0.28 -2.14 -0.23 0.00 -1.36 0.00 0.00 55.97 52.52 1jkn s LYS 106 Cb -0.07 -3.60 -0.06 0.00 -1.68 0.00 0.00 37.83 32.41 1jkn s LYS 106 CO 0.15 -1.11 1.29 -1.58 -0.76 0.00 0.00 175.35 173.35 1jkn s TRP 107 N 0.59 2.56 -0.04 3.18 0.52 -1.26 -3.94 118.94 120.55 1jkn s TRP 107 Ca 0.12 1.42 0.03 0.00 0.02 0.00 0.00 56.10 57.69 1jkn s TRP 107 Cb -0.22 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.45 1jkn s TRP 107 CO -0.04 -2.35 -0.12 -0.06 0.02 0.00 0.00 176.95 174.40 1jkn s PHE 108 N -1.37 1.33 0.05 -1.98 0.40 -0.99 -1.67 117.98 113.75 1jkn s PHE 108 Ca 0.66 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 56.30 1jkn s PHE 108 Cb -0.37 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1jkn s PHE 108 CO 0.44 -0.16 0.97 -1.17 0.70 0.00 0.00 175.22 176.00 1jkn s LEU 109 N 0.26 4.43 -0.08 -0.37 2.96 0.23 -0.06 118.68 126.05 1jkn s LEU 109 Ca -0.06 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1jkn s LEU 109 Cb -0.11 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1jkn s LEU 109 CO 0.02 -0.17 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.38 1jkn s PHE 110 N 0.53 1.68 -0.22 5.38 0.40 0.41 0.58 117.98 126.72 1jkn s PHE 110 Ca 0.50 -0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 1jkn s PHE 110 Cb -0.22 -1.22 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1jkn s PHE 110 CO 0.29 -0.35 0.48 0.21 0.70 0.00 0.00 175.22 176.55 1jkn s LYS 111 N 0.76 4.13 0.08 0.44 2.20 0.33 -0.83 119.74 126.85 1jkn s LYS 111 Ca -0.12 0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.49 1jkn s LYS 111 Cb -0.16 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.49 1jkn s LYS 111 CO 0.03 -0.20 1.59 0.12 -0.36 0.00 0.00 175.35 176.52 1jkn s PHE 112 N 1.81 2.63 -0.24 4.03 5.36 -0.74 -2.10 117.98 128.73 1jkn s PHE 112 Ca 0.21 0.48 0.14 0.00 -0.96 0.00 0.00 56.93 56.80 1jkn s PHE 112 Cb -0.15 -3.90 0.47 0.00 -0.34 0.00 0.00 43.02 39.10 1jkn s PHE 112 CO 0.09 -3.51 1.17 0.25 -1.46 0.00 0.00 175.22 171.76 1jkn n THR 113 N 4.56 1.85 -1.00 0.12 -2.24 0.25 -4.77 114.28 113.04 1jkn n THR 113 Ca 0.15 -3.39 0.00 0.00 -2.27 0.00 0.00 64.05 58.54 1jkn n THR 113 Cb 0.41 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.62 5.56 3.27 3.38 0.00 -1.19 -4.77 105.19 110.82 1jkn n GLY 114 Ca 0.25 -1.05 -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 3.51 1.09 0.42 1.61 1.11 -1.26 -5.00 119.66 121.13 1jkn s GLN 115 Ca 0.00 -1.27 0.14 0.00 0.01 0.00 0.00 55.36 54.25 1jkn s GLN 115 Cb 0.00 -1.06 0.78 0.00 -1.01 0.00 0.00 33.01 31.72 1jkn s GLN 115 CO 0.00 0.21 1.35 -0.44 0.01 0.00 0.00 175.29 176.42 1jkn h ASP 116 N 3.52 0.00 1.72 5.90 3.32 -2.02 0.76 116.42 129.62 1jkn h ASP 116 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 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 4.15 -2.03 -3.18 115.11 117.61 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1jkn h GLN 117 Cb 0.80 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1jkn h GLN 117 CO 0.00 0.00 -0.57 1.49 -1.93 0.00 0.00 178.83 177.82 1jkn h GLU 118 N 0.00 0.00 -6.22 1.69 4.57 0.18 -3.43 114.58 111.38 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 0.86 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.41 1jkn h GLU 118 CO 0.00 0.47 1.23 0.42 -1.18 0.00 0.00 179.01 179.95 1jkn s ILE 119 N -2.97 3.56 -0.49 2.32 1.01 -1.20 -3.81 121.20 119.63 1jkn s ILE 119 Ca 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 1jkn s ILE 119 Cb 0.08 -4.12 0.13 0.00 0.01 0.00 0.00 42.46 38.55 1jkn s ILE 119 CO 0.75 -0.96 0.27 0.21 0.00 0.00 0.00 174.94 175.21 1jkn s ASN 120 N 6.10 5.07 0.61 3.58 2.47 0.19 -4.94 114.94 128.02 1jkn s ASN 120 Ca 0.62 -2.45 0.30 0.00 0.42 0.00 0.00 52.86 51.75 1jkn s ASN 120 Cb -0.13 -1.79 1.62 0.00 -1.45 0.00 0.00 41.25 39.50 1jkn s ASN 120 CO 0.24 -0.43 2.00 -0.07 -3.72 0.00 0.00 177.10 175.13 1jkn h LEU 121 N 7.46 0.00 0.59 3.21 3.38 -1.78 -1.65 115.31 126.51 1jkn h LEU 121 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1jkn h LEU 121 CO 0.68 0.00 -0.28 -0.07 0.09 0.00 0.00 178.44 178.86 1jkn h LEU 122 N 0.00 -0.67 0.00 1.67 3.38 -1.81 -3.27 115.31 114.61 1jkn h LEU 122 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jkn h LEU 122 Cb 0.76 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1jkn h LEU 122 CO -0.00 -0.37 0.00 0.61 0.09 0.00 0.00 178.44 178.77 1jkn n GLY 123 N -0.95 -0.04 1.90 0.83 0.00 -0.66 -3.30 105.19 102.97 1jkn n GLY 123 Ca -0.12 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 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 6.20 -1.48 1.61 5.75 0.28 -4.70 116.55 127.21 1jkn n ASP 124 Ca 0.00 -3.11 -0.14 0.00 -0.01 0.00 0.00 54.79 51.53 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 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 0.14 0.10 0.39 6.12 0.00 -1.26 -4.91 105.19 105.76 1jkn n GLY 125 Ca 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.57 0.80 -4.64 1.61 2.88 -1.26 -5.08 113.62 107.36 1jkn n SER 126 Ca -0.16 0.13 -0.24 0.00 -1.33 0.00 0.00 58.87 57.26 1jkn n SER 126 Cb 0.59 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.77 2.11 0.75 -1.46 0.41 -1.26 -5.12 118.70 112.37 1jkn s GLU 127 Ca -0.09 -1.73 -0.15 0.00 -0.41 0.00 0.00 54.97 52.59 1jkn s GLU 127 Cb 0.01 -1.95 0.05 0.00 -1.78 0.00 0.00 34.13 30.46 1jkn s GLU 127 CO 0.13 0.13 1.22 0.36 -0.49 0.00 0.00 175.26 176.62 1jkn n LYS 128 N -0.98 0.49 -0.60 1.61 -0.00 -1.26 -4.62 118.16 112.80 1jkn n LYS 128 Ca -0.04 0.24 -0.18 0.00 -0.00 0.00 0.00 58.31 58.32 1jkn n LYS 128 Cb 0.62 -2.46 0.12 0.00 -0.00 0.00 0.00 35.03 33.32 1jkn n LYS 128 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1jkn n PRO 129 N -2.79 -1.79 0.00 -1.58 -0.02 -1.21 -4.87 135.00 122.74 1jkn n PRO 129 Ca 0.14 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1jkn n PRO 129 Cb 0.50 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.06 0.00 -4.27 -0.52 -0.58 -1.23 -5.00 120.64 107.97 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 0.36 -0.13 -0.07 0.00 -0.57 0.00 0.00 31.44 31.03 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 -1.47 2.75 -0.01 -0.32 0.08 -1.25 -2.65 117.98 115.10 1jkn s PHE 131 Ca 0.00 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.90 1jkn s PHE 131 Cb 0.00 -1.22 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 1jkn s PHE 131 CO 0.00 0.61 0.12 0.41 -0.10 0.00 0.00 175.22 176.25 1jkn n GLY 132 N -0.92 -0.27 3.60 4.36 0.00 -1.03 -4.58 105.19 106.36 1jkn n GLY 132 Ca -0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 1.82 0.05 1.61 0.41 -1.26 -5.00 118.70 113.95 1jkn s GLU 133 Ca -0.02 -1.46 -0.26 0.00 -0.41 0.00 0.00 54.97 52.82 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.95 1jkn s GLU 133 CO 0.24 -0.78 0.61 1.67 -0.49 0.00 0.00 175.26 176.51 1jkn s TRP 134 N -3.35 -0.56 0.10 1.61 1.48 -1.26 0.17 118.94 117.13 1jkn s TRP 134 Ca 0.24 0.68 -0.14 0.00 -1.06 0.00 0.00 56.10 55.82 1jkn s TRP 134 Cb -0.02 0.45 0.03 0.00 -1.16 0.00 0.00 33.47 32.77 1jkn s TRP 134 CO 0.13 -0.70 0.34 -1.12 -4.06 0.00 0.00 176.95 171.54 1jkn s SER 135 N -1.94 -0.15 -0.18 -2.66 0.01 0.29 -4.96 113.70 104.10 1jkn s SER 135 Ca -0.05 -0.33 -0.18 0.00 1.31 0.00 0.00 55.95 56.70 1jkn s SER 135 Cb -0.01 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1jkn s SER 135 CO -0.01 -0.77 0.47 0.26 0.41 0.00 0.00 173.24 173.60 1jkn s TRP 136 N -3.50 3.40 0.04 2.43 0.52 -1.26 -1.23 118.94 119.34 1jkn s TRP 136 Ca 0.01 0.75 0.01 0.00 0.02 0.00 0.00 56.10 56.89 1jkn s TRP 136 Cb 0.02 -2.60 -0.02 0.00 -1.15 0.00 0.00 33.47 29.72 1jkn s TRP 136 CO -0.10 -0.01 -0.06 0.14 0.02 0.00 0.00 176.95 176.94 1jkn s VAL 137 N 1.31 0.40 0.77 4.03 -7.23 -1.16 -4.87 120.40 113.64 1jkn s VAL 137 Ca 0.23 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1jkn s VAL 137 Cb -0.15 -0.56 0.06 0.00 0.56 0.00 0.00 36.38 36.28 1jkn s VAL 137 CO 0.09 -0.46 1.10 0.42 -0.31 0.00 0.00 175.10 175.94 1jkn s THR 138 N -1.57 3.20 0.51 5.32 -4.23 -1.26 0.82 115.64 118.42 1jkn s THR 138 Ca -0.11 0.41 0.33 0.00 -1.18 0.00 0.00 61.69 61.15 1jkn s THR 138 Cb -0.09 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.21 1jkn s THR 138 CO -0.01 -0.48 2.00 1.55 -0.54 0.00 0.00 174.62 177.14 1jkn h PRO 139 N -1.01 0.00 0.04 3.99 0.13 -1.95 0.16 132.00 133.36 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1jkn h PRO 139 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.51 0.00 -1.93 0.39 -0.23 0.00 0.00 178.00 176.74 1jkn n GLU 140 N -2.80 0.68 -0.01 0.86 1.02 -1.26 -3.66 120.64 115.47 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 0.22 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.02 -0.03 -0.80 3.49 1.08 -1.14 -2.90 115.11 114.83 1jkn h GLN 141 Ca -0.38 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.00 1jkn h GLN 141 Cb 2.04 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 29.42 1jkn h GLN 141 CO 0.07 0.51 0.54 1.25 -0.95 0.00 0.00 178.83 180.25 1jkn h LEU 142 N -0.58 0.32 -1.54 1.46 5.85 -1.06 1.06 115.31 120.83 1jkn h LEU 142 Ca -0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1jkn h LEU 142 Cb 0.55 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1jkn h LEU 142 CO 0.00 0.15 -0.23 0.40 -0.34 0.00 0.00 178.44 178.42 1jkn h ILE 143 N 0.33 1.13 0.02 4.05 5.03 -1.60 0.44 117.51 126.91 1jkn h ILE 143 Ca 0.40 -0.81 -0.20 0.00 -0.12 0.00 0.00 64.86 64.13 1jkn h ILE 143 Cb 1.07 1.44 -0.02 0.00 -3.03 0.00 0.00 36.82 36.29 1jkn h ILE 143 CO -0.12 0.23 -0.93 -0.78 -0.68 0.00 0.00 178.15 175.87 1jkn h ASP 144 N 0.00 0.13 0.00 1.72 3.58 0.13 -3.24 116.42 118.75 1jkn h ASP 144 Ca -0.00 -0.12 -0.26 0.00 0.42 0.00 0.00 57.03 57.07 1jkn h ASP 144 Cb 0.42 -0.04 0.02 0.00 1.72 0.00 0.00 39.33 41.45 1jkn h ASP 144 CO 0.03 0.99 -1.01 -0.07 -2.88 0.00 0.00 179.24 176.30 1jkn h LEU 145 N 0.04 0.88 -9.93 2.28 3.38 -0.27 -3.46 115.31 108.23 1jkn h LEU 145 Ca -0.04 -0.74 -0.49 0.00 0.09 0.00 0.00 57.88 56.70 1jkn h LEU 145 Cb 1.61 -0.27 0.22 0.00 0.09 0.00 0.00 40.66 42.31 1jkn h LEU 145 CO 0.13 1.51 -0.42 0.41 0.09 0.00 0.00 178.44 180.16 1jkn n THR 146 N -3.89 0.00 -3.43 0.22 -1.04 0.15 -4.42 114.28 101.86 1jkn n THR 146 Ca -0.11 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 1jkn n THR 146 Cb 0.87 -0.77 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 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 -2.41 4.71 0.37 12.58 0.11 -1.26 -4.88 120.40 129.62 1jkn s VAL 147 Ca 0.61 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1jkn s VAL 147 Cb -0.20 -3.70 0.18 0.00 -1.53 0.00 0.00 36.38 31.13 1jkn s VAL 147 CO 0.65 -0.39 1.93 -0.33 -3.33 0.00 0.00 175.10 173.63 1jkn h GLU 148 N 0.79 0.44 0.00 1.54 4.39 -1.95 0.86 114.58 120.65 1jkn h GLU 148 Ca -0.49 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1jkn h GLU 148 Cb 1.24 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jkn h GLU 148 CO 0.59 0.45 0.00 1.97 -1.16 0.00 0.00 179.01 180.86 1jkn n PHE 149 N -4.33 0.00 -1.84 4.33 1.16 -1.26 -3.51 117.46 112.01 1jkn n PHE 149 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 1jkn n PHE 149 Cb 0.21 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.95 0.00 0.19 3.97 5.02 -0.67 -4.08 118.16 121.64 1jkn n LYS 150 Ca 0.22 -0.54 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 1jkn n LYS 150 Cb 0.10 -0.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.52 -0.95 1.97 1.57 0.67 -3.13 116.57 116.18 1jkn h LYS 151 Ca 0.00 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1jkn h LYS 151 Cb 1.18 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 1jkn h LYS 151 CO 0.00 -0.34 0.60 -1.00 -0.57 0.00 0.00 179.45 178.13 1jkn h PRO 152 N -0.87 1.02 -0.31 3.15 0.13 -1.85 -0.20 132.00 133.07 1jkn h PRO 152 Ca -0.05 -0.06 0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1jkn h PRO 152 Cb 0.41 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1jkn h PRO 152 CO 0.09 0.67 0.35 0.28 -0.23 0.00 0.00 178.00 179.16 1jkn h VAL 153 N 1.05 0.40 0.00 1.56 2.07 -1.76 0.52 116.25 120.09 1jkn h VAL 153 Ca 0.43 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.74 1jkn h VAL 153 Cb 0.25 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1jkn h VAL 153 CO -0.20 0.00 -1.26 -1.22 0.02 0.00 0.00 177.57 174.91 1jkn n TYR 154 N -3.72 0.89 -0.25 1.57 4.02 -0.21 -3.76 117.16 115.70 1jkn n TYR 154 Ca 0.05 0.38 0.27 0.00 -0.01 0.00 0.00 57.90 58.60 1jkn n TYR 154 Cb 0.50 -1.03 0.65 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.14 -0.25 -0.72 1.57 -0.58 0.43 116.57 116.15 1jkn h LYS 155 Ca -0.32 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1jkn h LYS 155 Cb 1.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1jkn h LYS 155 CO -0.19 0.09 -0.04 1.49 -0.57 0.00 0.00 179.45 180.23 1jkn h GLU 156 N 0.14 0.47 -0.31 3.15 4.57 -1.08 0.32 114.58 121.85 1jkn h GLU 156 Ca 0.50 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1jkn h GLU 156 Cb 1.70 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.23 1jkn h GLU 156 CO -0.09 0.68 0.15 0.28 -1.18 0.00 0.00 179.01 178.85 1jkn h VAL 157 N 0.23 0.98 -0.07 0.32 2.07 -0.30 -0.24 116.25 119.24 1jkn h VAL 157 Ca 0.07 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jkn h VAL 157 Cb 0.49 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jkn h VAL 157 CO 0.02 0.06 0.03 -0.07 0.02 0.00 0.00 177.57 177.63 1jkn h LEU 158 N 0.32 0.09 -0.74 2.57 3.38 -1.09 -1.35 115.31 118.50 1jkn h LEU 158 Ca 0.13 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1jkn h LEU 158 Cb 0.05 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 1jkn h LEU 158 CO -0.09 0.22 0.18 -1.28 0.09 0.00 0.00 178.44 177.56 1jkn h SER 159 N -0.04 0.03 0.78 -0.43 0.87 0.07 1.78 113.55 116.60 1jkn h SER 159 Ca 0.02 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1jkn h SER 159 Cb 0.16 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1jkn h SER 159 CO -0.00 -0.03 -0.23 0.58 -0.53 0.00 0.00 176.83 176.61 1jkn h VAL 160 N 0.28 0.63 -0.52 2.23 2.07 -0.81 -2.72 116.25 117.41 1jkn h VAL 160 Ca 0.42 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jkn h VAL 160 Cb 0.71 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1jkn h VAL 160 CO -0.50 0.23 0.00 0.49 0.02 0.00 0.00 177.57 177.80 1jkn n PHE 161 N -3.48 0.69 -0.07 1.57 3.72 0.23 -4.62 117.46 115.50 1jkn n PHE 161 Ca -0.00 -0.43 -0.07 0.00 -0.05 0.00 0.00 57.45 56.90 1jkn n PHE 161 Cb 0.40 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 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 3.57 0.06 -0.27 4.37 0.00 0.27 -0.71 119.26 126.55 1jkn h ALA 162 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1jkn h ALA 162 Cb 0.89 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jkn h ALA 162 CO 0.00 -0.55 0.43 -1.00 0.00 0.00 0.00 179.25 178.13 1jkn h PRO 163 N -0.12 0.00 0.00 0.00 0.13 -1.81 0.41 132.00 130.61 1jkn h PRO 163 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.17 1jkn h PRO 163 Cb 0.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1jkn h PRO 163 CO -0.35 0.00 -1.29 0.72 -0.23 0.00 0.00 178.00 176.85 1jkn n HIS 164 N -3.41 0.95 -1.52 1.56 8.25 -0.34 -5.23 115.22 115.48 1jkn n HIS 164 Ca 0.04 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1jkn n HIS 164 Cb 0.56 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1jkn n HIS 164 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45