#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 -0.23 1.61 0.04 -1.26 -5.05 135.00 134.03 1jkn s PRO 2 Ca 0.00 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1jkn s PRO 2 Cb 0.00 -2.55 0.06 0.00 0.04 0.00 0.00 34.50 32.05 1jkn s PRO 2 CO 0.00 -0.43 0.58 -1.17 0.04 0.00 0.00 177.00 176.03 1jkn s LEU 3 N -2.74 -0.37 -1.80 -3.56 2.96 -1.26 -4.91 118.68 107.00 1jkn s LEU 3 Ca 0.60 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1jkn s LEU 3 Cb -0.30 2.00 0.00 0.00 0.50 0.00 0.00 46.19 48.39 1jkn s LEU 3 CO 0.37 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 1jkn n GLY 4 N 3.29 -0.47 3.42 7.98 0.00 -1.26 -4.94 105.19 113.21 1jkn n GLY 4 Ca -0.16 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.06 -0.50 0.00 1.61 1.04 -1.24 -4.60 113.70 107.95 1jkn s SER 5 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1jkn s SER 5 Cb 0.00 1.52 0.00 0.00 0.10 0.00 0.00 66.02 67.64 1jkn s SER 5 CO 0.00 -0.10 0.00 0.80 0.98 0.00 0.00 173.24 174.92 1jkn n MET 6 N 4.70 1.50 -1.59 4.02 1.56 -0.97 -4.95 117.12 121.38 1jkn n MET 6 Ca -0.10 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.27 1jkn n MET 6 Cb 0.54 -0.79 -0.02 0.00 2.15 0.00 0.00 33.22 35.10 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1jkn n ASP 7 N -1.63 -3.12 0.00 6.12 9.92 -1.26 -4.88 116.55 121.69 1jkn n ASP 7 Ca 0.00 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1jkn n ASP 7 Cb 0.29 -1.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.03 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 0.97 0.00 -4.60 -2.24 3.41 -1.26 -4.89 113.62 105.00 1jkn n SER 8 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 1jkn n SER 8 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.07 3.32 0.71 4.33 0.04 -1.26 -4.86 135.00 137.21 1jkn s PRO 9 Ca 0.00 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 1jkn s PRO 9 Cb 0.00 -4.25 0.16 0.00 0.04 0.00 0.00 34.50 30.46 1jkn s PRO 9 CO 0.00 -1.88 0.93 -2.30 0.04 0.00 0.00 177.00 173.79 1jkn n PRO 10 N 8.47 -1.07 -3.08 0.56 -0.02 -1.26 -5.07 135.00 133.52 1jkn n PRO 10 Ca 0.25 -1.44 -0.28 0.00 -2.02 0.00 0.00 63.50 60.02 1jkn n PRO 10 Cb 0.46 -0.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1jkn s GLU 11 N -5.03 3.61 0.00 -0.52 -1.05 -1.26 -4.22 118.70 110.23 1jkn s GLU 11 Ca 0.53 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1jkn s GLU 11 Cb -0.02 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 1jkn s GLU 11 CO 0.38 0.05 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1jkn n GLY 12 N -1.49 3.00 3.77 -3.83 0.00 -1.26 -5.02 105.19 100.36 1jkn n GLY 12 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.25 3.33 0.43 1.61 2.02 -1.26 -2.17 117.35 119.06 1jkn s TYR 13 Ca 0.00 0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.84 1jkn s TYR 13 Cb 0.00 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 1jkn s TYR 13 CO 0.00 0.58 0.89 -0.98 -1.57 0.00 0.00 175.55 174.46 1jkn s ARG 14 N -1.13 4.02 0.04 -0.62 1.70 -1.23 -4.65 118.95 117.08 1jkn s ARG 14 Ca 0.16 0.87 -0.31 0.00 -0.47 0.00 0.00 55.73 55.98 1jkn s ARG 14 Cb -0.12 -2.25 -0.07 0.00 -0.57 0.00 0.00 34.95 31.95 1jkn s ARG 14 CO 0.06 -0.07 1.48 1.03 -1.08 0.00 0.00 175.30 176.72 1jkn s ARG 15 N -3.55 4.26 0.07 3.89 1.81 -1.26 -3.04 118.95 121.13 1jkn s ARG 15 Ca 0.58 2.11 -0.16 0.00 -1.72 0.00 0.00 55.73 56.53 1jkn s ARG 15 Cb -0.10 -3.53 0.03 0.00 -0.45 0.00 0.00 34.95 30.91 1jkn s ARG 15 CO 0.23 -0.61 0.38 1.21 -0.68 0.00 0.00 175.30 175.83 1jkn s ASN 16 N 1.92 -0.23 -0.06 0.23 2.47 -1.23 -2.12 114.94 115.92 1jkn s ASN 16 Ca 0.67 -0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.83 1jkn s ASN 16 Cb -0.35 0.43 0.01 0.00 -1.45 0.00 0.00 41.25 39.88 1jkn s ASN 16 CO 0.29 -0.71 -0.14 0.68 -3.72 0.00 0.00 177.10 173.50 1jkn s VAL 17 N -2.93 1.26 0.17 -5.21 -7.23 0.21 -3.42 120.40 103.25 1jkn s VAL 17 Ca -0.02 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1jkn s VAL 17 Cb 0.00 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1jkn s VAL 17 CO -0.06 0.38 0.34 -0.83 -0.31 0.00 0.00 175.10 174.62 1jkn s GLY 18 N 0.53 1.81 -0.28 2.32 0.00 -1.23 -1.56 107.32 108.90 1jkn s GLY 18 Ca -0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1jkn s GLY 18 CO 0.04 -0.87 0.07 -0.42 0.00 0.00 0.00 173.10 171.93 1jkn s ILE 19 N -1.79 0.86 -0.57 0.90 1.09 -1.05 -1.42 121.20 119.23 1jkn s ILE 19 Ca 0.37 -1.22 -0.22 0.00 -1.10 0.00 0.00 60.65 58.48 1jkn s ILE 19 Cb -0.11 -1.55 0.06 0.00 -1.06 0.00 0.00 42.46 39.79 1jkn s ILE 19 CO 0.29 -0.54 0.84 0.00 -0.10 0.00 0.00 174.94 175.43 1jkn s LEU 21 N 3.50 4.05 0.16 0.00 2.96 -1.26 0.19 118.68 128.27 1jkn s LEU 21 Ca 0.22 0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.40 1jkn s LEU 21 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1jkn s LEU 21 CO 0.14 0.26 -0.14 0.00 -1.32 0.00 0.00 176.35 175.29 1jkn s MET 22 N -1.88 1.15 0.60 1.98 0.23 0.88 0.10 119.30 122.35 1jkn s MET 22 Ca 0.25 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.53 1jkn s MET 22 Cb -0.12 -0.97 0.07 0.00 -1.53 0.00 0.00 34.83 32.28 1jkn s MET 22 CO 0.17 0.17 0.84 1.21 -2.03 0.00 0.00 175.02 175.37 1jkn s ASN 23 N -2.87 4.95 0.41 -1.18 2.47 -0.49 -1.70 114.94 116.52 1jkn s ASN 23 Ca 0.15 -0.30 0.28 0.00 0.42 0.00 0.00 52.86 53.42 1jkn s ASN 23 Cb -0.02 -0.38 1.40 0.00 -1.45 0.00 0.00 41.25 40.80 1jkn s ASN 23 CO 0.04 -1.39 1.86 -1.13 -3.72 0.00 0.00 177.10 172.76 1jkn h ASN 24 N -0.08 0.00 0.03 -4.21 -0.73 -1.91 -0.12 115.58 108.56 1jkn h ASN 24 Ca -0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.79 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 0.46 0.00 -0.04 0.47 -0.37 0.00 0.00 177.43 177.95 1jkn n ASP 25 N -2.53 1.36 0.00 1.15 9.92 -1.26 -4.91 116.55 120.27 1jkn n ASP 25 Ca -0.01 -1.38 0.00 0.00 -0.53 0.00 0.00 54.79 52.88 1jkn n ASP 25 Cb 0.13 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 -0.01 0.00 -2.70 -1.24 5.02 -0.06 -5.06 118.16 114.11 1jkn n LYS 26 Ca 0.18 0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 56.50 1jkn n LYS 26 Cb 0.34 -3.43 0.06 0.00 -0.02 0.00 0.00 35.03 31.97 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 -2.74 2.31 -0.18 1.97 1.02 -1.25 -4.76 119.74 116.11 1jkn s LYS 27 Ca 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1jkn s LYS 27 Cb 0.00 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1jkn s LYS 27 CO 0.00 -0.89 -0.08 0.42 -0.92 0.00 0.00 175.35 173.88 1jkn s ILE 28 N -2.82 3.27 -0.26 2.17 1.09 0.28 -1.40 121.20 123.53 1jkn s ILE 28 Ca 0.60 -0.55 -0.30 0.00 -1.10 0.00 0.00 60.65 59.30 1jkn s ILE 28 Cb -0.08 -2.44 -0.07 0.00 -1.06 0.00 0.00 42.46 38.81 1jkn s ILE 28 CO 0.40 0.47 2.23 0.33 -0.10 0.00 0.00 174.94 178.26 1jkn n PHE 29 N 4.24 1.85 -5.05 3.97 7.35 0.28 -2.83 117.46 127.27 1jkn n PHE 29 Ca -0.18 -0.02 -0.32 0.00 -0.76 0.00 0.00 57.45 56.16 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 8.28 2.41 -0.02 3.13 0.00 -0.59 -4.69 121.76 130.29 1jkn s ALA 30 Ca 1.03 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1jkn s ALA 30 Cb -0.45 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1jkn s ALA 30 CO 0.38 0.42 -0.25 0.00 0.00 0.00 0.00 175.76 176.31 1jkn s ALA 31 N -0.22 2.12 0.54 0.00 0.00 0.11 0.58 121.76 124.88 1jkn s ALA 31 Ca -0.01 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1jkn s ALA 31 Cb -0.13 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1jkn s ALA 31 CO 0.03 0.52 0.94 -1.54 0.00 0.00 0.00 175.76 175.70 1jkn s SER 32 N -0.58 6.37 0.80 0.00 1.04 0.47 -0.32 113.70 121.47 1jkn s SER 32 Ca 0.09 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 1jkn s SER 32 Cb -0.10 -2.41 0.07 0.00 0.10 0.00 0.00 66.02 63.68 1jkn s SER 32 CO -0.01 -0.68 1.09 -0.13 0.98 0.00 0.00 173.24 174.48 1jkn s ARG 33 N -4.66 2.08 0.00 4.02 0.52 0.41 -2.76 118.95 118.56 1jkn s ARG 33 Ca 0.54 0.89 0.24 0.00 -0.52 0.00 0.00 55.73 56.88 1jkn s ARG 33 Cb -0.11 -1.90 0.20 0.00 0.52 0.00 0.00 34.95 33.67 1jkn s ARG 33 CO 0.44 -1.69 1.21 1.28 0.02 0.00 0.00 175.30 176.56 1jkn n LEU 34 N -3.52 1.39 0.00 2.53 4.77 -1.07 -3.99 117.00 117.11 1jkn n LEU 34 Ca 0.08 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1jkn n LEU 34 Cb 0.55 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1jkn n LEU 34 CO 0.55 0.28 -0.24 -0.67 -1.33 0.00 0.00 177.39 175.98 1jkn n ASP 35 N -0.65 2.40 -4.06 -1.43 2.03 -1.26 -4.98 116.55 108.60 1jkn n ASP 35 Ca 0.09 -0.04 -0.32 0.00 0.52 0.00 0.00 54.79 55.03 1jkn n ASP 35 Cb 0.39 0.56 -0.15 0.00 -0.72 0.00 0.00 41.12 41.20 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jkn s ILE 36 N -1.04 2.03 0.20 5.18 1.01 -1.26 -5.10 121.20 122.22 1jkn s ILE 36 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 1jkn s ILE 36 Cb 0.00 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 1jkn s ILE 36 CO 0.00 0.12 1.47 -2.16 0.00 0.00 0.00 174.94 174.38 1jkn s PRO 37 N 1.20 4.26 0.00 2.79 0.04 -1.26 -1.94 135.00 140.10 1jkn s PRO 37 Ca -0.05 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.07 -0.49 0.00 -3.47 0.04 0.00 0.00 177.00 173.01 1jkn n ASP 38 N 3.20 -0.60 -4.45 6.66 -0.08 -1.26 -4.97 116.55 115.05 1jkn n ASP 38 Ca 0.10 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.95 1jkn n ASP 38 Cb 0.40 -0.33 -0.04 0.00 2.34 0.00 0.00 41.12 43.49 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 -3.39 3.18 0.19 -1.67 0.00 -0.82 -4.97 121.76 114.29 1jkn s ALA 39 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 49.92 1jkn s ALA 39 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1jkn s ALA 39 CO 0.00 -2.81 0.24 -1.58 0.00 0.00 0.00 175.76 171.61 1jkn s TRP 40 N 3.68 3.32 0.18 0.00 0.52 -1.26 0.16 118.94 125.53 1jkn s TRP 40 Ca 0.24 0.01 -0.22 0.00 0.02 0.00 0.00 56.10 56.15 1jkn s TRP 40 Cb -0.14 -1.55 0.08 0.00 -1.15 0.00 0.00 33.47 30.70 1jkn s TRP 40 CO 0.05 0.50 1.05 0.00 0.02 0.00 0.00 176.95 178.57 1jkn n GLN 41 N -0.81 0.64 -4.02 4.98 10.64 0.57 -4.48 117.38 124.90 1jkn n GLN 41 Ca -0.08 -1.48 -0.22 0.00 -1.83 0.00 0.00 57.00 53.39 1jkn n GLN 41 Cb 0.56 2.01 -0.03 0.00 -0.86 0.00 0.00 30.24 31.91 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 -2.05 3.24 0.26 2.61 -1.94 -1.26 -0.71 119.30 119.45 1jkn s MET 42 Ca 0.23 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 1jkn s MET 42 Cb -0.03 -2.78 -0.10 0.00 2.01 0.00 0.00 34.83 33.93 1jkn s MET 42 CO 0.05 0.44 1.31 -1.25 -0.01 0.00 0.00 175.02 175.56 1jkn s PRO 43 N -3.78 4.38 0.03 2.03 0.04 -1.26 -4.98 135.00 131.45 1jkn s PRO 43 Ca 0.33 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1jkn s PRO 43 Cb -0.09 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1jkn s PRO 43 CO 0.27 -0.22 -0.05 -0.65 0.04 0.00 0.00 177.00 176.39 1jkn s GLN 44 N -0.91 0.40 -0.14 4.56 -1.52 -1.26 -2.51 119.66 118.28 1jkn s GLN 44 Ca 0.53 -0.59 -0.09 0.00 -1.95 0.00 0.00 55.36 53.27 1jkn s GLN 44 Cb -0.38 -0.15 0.05 0.00 -0.22 0.00 0.00 33.01 32.31 1jkn s GLN 44 CO 0.45 0.02 0.34 0.20 -0.25 0.00 0.00 175.29 176.05 1jkn s GLY 45 N -1.25 -0.25 0.08 3.09 0.00 -0.60 -4.92 107.32 103.46 1jkn s GLY 45 Ca -0.10 1.22 -0.31 0.00 0.00 0.00 0.00 44.72 45.53 1jkn s GLY 45 CO -0.00 1.33 1.37 -0.32 0.00 0.00 0.00 173.10 175.48 1jkn s GLY 46 N 1.04 1.99 0.92 0.20 0.00 -1.26 0.63 107.32 110.84 1jkn s GLY 46 Ca -0.07 1.03 -0.10 0.00 0.00 0.00 0.00 44.72 45.58 1jkn s GLY 46 CO -0.08 2.36 1.13 -0.42 0.00 0.00 0.00 173.10 176.09 1jkn s ILE 47 N 1.42 2.17 0.53 0.90 1.01 -0.90 -4.84 121.20 121.48 1jkn s ILE 47 Ca 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 1jkn s ILE 47 Cb -0.35 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.11 1jkn s ILE 47 CO 0.29 -0.07 0.73 0.47 0.00 0.00 0.00 174.94 176.36 1jkn n ASP 48 N -4.23 0.77 -4.55 3.58 8.00 -1.26 -4.88 116.55 113.97 1jkn n ASP 48 Ca 0.11 -1.70 -0.40 0.00 0.71 0.00 0.00 54.79 53.51 1jkn n ASP 48 Cb 0.52 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1jkn n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jkn s GLU 49 N -4.39 3.09 -0.06 -1.24 8.01 -1.26 -3.32 118.70 119.54 1jkn s GLU 49 Ca 0.47 -0.16 -0.00 0.00 0.01 0.00 0.00 54.97 55.28 1jkn s GLU 49 Cb -0.02 -4.39 0.00 0.00 -4.31 0.00 0.00 34.13 25.41 1jkn s GLU 49 CO 0.31 -2.32 0.05 0.41 0.01 0.00 0.00 175.26 173.72 1jkn n GLY 50 N 5.67 0.60 3.49 -1.39 0.00 -1.26 -5.07 105.19 107.23 1jkn n GLY 50 Ca 0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.46 2.01 0.20 1.61 2.56 -1.21 -5.11 118.70 114.30 1jkn s GLU 51 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 54.97 53.64 1jkn s GLU 51 Cb -0.00 -2.19 -0.08 0.00 2.00 0.00 0.00 34.13 33.85 1jkn s GLU 51 CO 0.03 0.52 1.17 0.34 -0.56 0.00 0.00 175.26 176.76 1jkn s ASP 52 N -1.77 7.14 0.11 -1.70 2.15 -1.26 -4.77 116.67 116.57 1jkn s ASP 52 Ca 0.17 2.22 -0.29 0.00 0.43 0.00 0.00 52.55 55.08 1jkn s ASP 52 Cb -0.11 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.82 1jkn s ASP 52 CO 0.08 -0.31 1.61 -0.65 -0.17 0.00 0.00 175.17 175.72 1jkn h PRO 53 N 4.97 -0.56 -0.10 4.34 0.11 -1.97 0.74 132.00 139.53 1jkn h PRO 53 Ca -0.45 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.73 1jkn h PRO 53 Cb 1.21 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1jkn h PRO 53 CO 0.73 -0.37 0.09 -0.09 -0.21 0.00 0.00 178.00 178.14 1jkn h ARG 54 N -0.58 0.00 0.02 1.05 2.43 -1.93 -0.60 114.38 114.77 1jkn h ARG 54 Ca 0.03 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1jkn h ARG 54 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1jkn h ARG 54 CO -0.21 0.00 -0.56 -0.97 -1.51 0.00 0.00 179.97 176.72 1jkn h ASN 55 N 0.00 0.08 -0.31 -3.80 -0.73 -1.68 -2.84 115.58 106.30 1jkn h ASN 55 Ca 0.05 -0.85 0.08 0.00 1.87 0.00 0.00 56.30 57.45 1jkn h ASN 55 Cb 0.22 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1jkn h ASN 55 CO -0.00 1.23 0.22 0.00 -0.37 0.00 0.00 177.43 178.51 1jkn h ALA 56 N -0.13 2.24 0.01 1.57 0.00 0.82 0.28 119.26 124.05 1jkn h ALA 56 Ca -0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jkn h ALA 56 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jkn h ALA 56 CO -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 179.25 178.89 1jkn h ALA 57 N 1.84 -0.02 -0.21 0.00 0.00 -1.22 0.69 119.26 120.34 1jkn h ALA 57 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1jkn h ALA 57 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jkn h ALA 57 CO -0.01 -0.16 0.16 0.82 0.00 0.00 0.00 179.25 180.07 1jkn h ILE 58 N -0.72 0.84 0.00 0.00 2.04 -1.11 0.41 117.51 118.97 1jkn h ILE 58 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1jkn h ILE 58 Cb 0.69 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1jkn h ILE 58 CO 0.00 0.00 -0.34 -0.09 0.00 0.00 0.00 178.15 177.73 1jkn h ARG 59 N 0.00 0.00 -0.58 2.37 2.43 -0.93 -3.30 114.38 114.37 1jkn h ARG 59 Ca 0.10 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1jkn h ARG 59 Cb 0.42 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 1jkn h ARG 59 CO -0.00 0.71 0.20 0.93 -1.51 0.00 0.00 179.97 180.30 1jkn h GLU 60 N -1.00 0.36 0.17 0.20 4.39 0.89 -1.85 114.58 117.73 1jkn h GLU 60 Ca -0.08 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1jkn h GLU 60 Cb 0.83 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1jkn h GLU 60 CO -0.05 0.24 -0.34 1.25 -1.16 0.00 0.00 179.01 178.95 1jkn h LEU 61 N 0.37 -0.98 -1.50 1.33 5.85 -0.37 0.71 115.31 120.73 1jkn h LEU 61 Ca 0.29 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1jkn h LEU 61 Cb 0.37 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1jkn h LEU 61 CO -0.31 -0.44 0.00 -0.09 -0.34 0.00 0.00 178.44 177.26 1jkn h ARG 62 N -0.60 0.00 0.08 1.25 2.43 -1.55 0.84 114.38 116.83 1jkn h ARG 62 Ca 0.02 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.84 1jkn h ARG 62 Cb 0.61 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1jkn h ARG 62 CO -0.17 0.00 -1.98 0.39 -1.51 0.00 0.00 179.97 176.70 1jkn n GLU 63 N -2.29 0.71 0.04 0.20 -0.58 0.68 -2.32 120.64 117.07 1jkn n GLU 63 Ca -0.01 0.30 0.03 0.00 -0.42 0.00 0.00 57.16 57.05 1jkn n GLU 63 Cb 0.04 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.15 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jkn n GLU 64 N -3.64 0.62 -0.00 3.49 1.02 0.21 -2.82 120.64 119.53 1jkn n GLU 64 Ca -0.35 0.16 0.01 0.00 -0.02 0.00 0.00 57.16 56.96 1jkn n GLU 64 Cb 0.97 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1jkn n GLU 64 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jkn n THR 65 N -2.79 0.00 -0.91 2.62 -1.04 0.29 -4.40 114.28 108.05 1jkn n THR 65 Ca -0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1jkn n THR 65 Cb 0.78 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 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 2.36 0.51 3.62 3.41 0.00 -0.75 0.12 105.19 114.47 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 -2.39 3.74 -0.17 1.61 1.01 -1.24 -4.43 120.40 118.52 1jkn s VAL 67 Ca 0.00 0.83 0.11 0.00 0.00 0.00 0.00 61.98 62.92 1jkn s VAL 67 Cb 0.00 -3.79 -0.23 0.00 0.00 0.00 0.00 36.38 32.36 1jkn s VAL 67 CO 0.00 -0.36 0.15 0.35 0.00 0.00 0.00 175.10 175.24 1jkn n THR 68 N 6.53 1.49 -2.76 3.92 -2.24 -1.26 -3.95 114.28 116.01 1jkn n THR 68 Ca 0.19 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1jkn n THR 68 Cb 0.46 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1jkn n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jkn n SER 69 N -2.98 5.23 -3.71 3.42 7.64 -1.26 -4.90 113.62 117.06 1jkn n SER 69 Ca -0.32 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.40 1jkn n SER 69 Cb 1.09 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.65 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 0.90 -0.83 0.07 -0.43 0.00 -1.26 0.10 121.76 120.31 1jkn s ALA 70 Ca 0.41 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1jkn s ALA 70 CO 0.00 -0.27 -0.24 -1.83 0.00 0.00 0.00 175.76 173.43 1jkn s GLU 71 N 1.42 1.76 -0.15 0.00 -1.05 -0.63 -4.88 118.70 115.17 1jkn s GLU 71 Ca -0.09 -1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 53.29 1jkn s GLU 71 Cb -0.09 -2.01 -0.01 0.00 -0.44 0.00 0.00 34.13 31.57 1jkn s GLU 71 CO -0.11 0.50 1.13 0.08 0.95 0.00 0.00 175.26 177.81 1jkn s VAL 72 N -0.91 4.50 -0.33 1.83 1.01 -1.26 0.14 120.40 125.39 1jkn s VAL 72 Ca 0.13 1.81 0.17 0.00 0.00 0.00 0.00 61.98 64.09 1jkn s VAL 72 Cb -0.10 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 1jkn s VAL 72 CO 0.04 -0.09 0.51 -0.38 0.00 0.00 0.00 175.10 175.18 1jkn n ILE 73 N 5.01 0.00 -3.46 2.22 2.08 -1.05 -4.89 119.36 119.26 1jkn n ILE 73 Ca 0.12 -0.28 -0.12 0.00 0.56 0.00 0.00 62.75 63.03 1jkn n ILE 73 Cb 0.46 0.47 -0.03 0.00 -0.75 0.00 0.00 39.64 39.80 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 -2.93 -1.49 -0.18 -1.39 0.00 -1.25 -4.97 121.76 109.55 1jkn s ALA 74 Ca -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1jkn s ALA 74 Cb 0.12 0.80 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1jkn s ALA 74 CO 0.70 -0.72 0.31 -1.83 0.00 0.00 0.00 175.76 174.21 1jkn s GLU 75 N -3.60 0.23 0.11 0.00 -1.05 -1.26 0.85 118.70 113.97 1jkn s GLU 75 Ca 0.01 0.62 -0.33 0.00 -0.15 0.00 0.00 54.97 55.12 1jkn s GLU 75 Cb -0.00 -0.34 -0.12 0.00 -0.44 0.00 0.00 34.13 33.22 1jkn s GLU 75 CO -0.11 -0.45 1.74 0.28 0.95 0.00 0.00 175.26 177.67 1jkn n VAL 76 N 5.35 0.24 0.30 1.83 0.31 -0.83 -4.86 118.33 120.68 1jkn n VAL 76 Ca -0.06 -0.04 0.19 0.00 -0.01 0.00 0.00 64.34 64.42 1jkn n VAL 76 Cb 0.50 -1.87 0.91 0.00 -0.91 0.00 0.00 33.84 32.48 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 7.56 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 139.81 1jkn h PRO 77 Ca -0.46 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 1jkn h PRO 77 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1jkn h PRO 77 CO 0.93 0.00 -0.32 2.48 -0.23 0.00 0.00 178.00 180.85 1jkn n TYR 78 N -2.92 0.65 -4.27 1.56 0.18 -1.26 -4.73 117.16 106.37 1jkn n TYR 78 Ca -0.01 -1.72 -0.31 0.00 1.88 0.00 0.00 57.90 57.73 1jkn n TYR 78 Cb 0.16 -0.18 -0.09 0.00 -0.38 0.00 0.00 39.34 38.85 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 -2.32 2.94 -0.24 -3.48 0.52 -1.26 -4.59 118.94 110.51 1jkn s TRP 79 Ca 0.03 -0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.09 1jkn s TRP 79 Cb 0.00 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1jkn s TRP 79 CO 0.02 0.44 -0.03 -0.51 0.02 0.00 0.00 176.95 176.89 1jkn s LEU 80 N -1.88 3.14 -0.12 2.99 1.43 0.11 -2.30 118.68 122.05 1jkn s LEU 80 Ca 0.21 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1jkn s LEU 80 Cb -0.11 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1jkn s LEU 80 CO 0.13 -0.08 -0.11 0.42 0.23 0.00 0.00 176.35 176.93 1jkn s THR 81 N 1.43 3.25 0.20 5.49 -4.23 -1.26 -2.05 115.64 118.48 1jkn s THR 81 Ca 0.03 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1jkn s THR 81 Cb -0.15 -2.36 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 1jkn s THR 81 CO -0.03 0.53 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.81 1jkn s TYR 82 N 0.16 1.49 0.24 3.99 1.13 -1.23 -4.74 117.35 118.40 1jkn s TYR 82 Ca -0.06 -0.83 0.11 0.00 -1.41 0.00 0.00 57.07 54.88 1jkn s TYR 82 Cb -0.15 -0.82 -0.05 0.00 -1.10 0.00 0.00 41.96 39.84 1jkn s TYR 82 CO 0.04 0.04 -0.20 0.16 -2.51 0.00 0.00 175.55 173.08 1jkn s ASP 83 N -3.27 3.38 0.17 -0.18 1.47 -1.26 -2.78 116.67 114.20 1jkn s ASP 83 Ca 0.24 -0.98 0.08 0.00 1.18 0.00 0.00 52.55 53.07 1jkn s ASP 83 Cb 0.04 -0.26 -0.04 0.00 -0.34 0.00 0.00 42.92 42.32 1jkn s ASP 83 CO 0.06 0.03 -0.07 -0.36 0.68 0.00 0.00 175.17 175.51 1jkn s PHE 84 N -2.34 2.70 1.13 2.11 0.08 -1.25 -4.86 117.98 115.55 1jkn s PHE 84 Ca 0.26 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.99 1jkn s PHE 84 Cb -0.05 -1.33 0.27 0.00 -0.57 0.00 0.00 43.02 41.34 1jkn s PHE 84 CO 0.12 0.50 1.04 -1.25 -0.10 0.00 0.00 175.22 175.54 1jkn s PRO 85 N -2.77 -0.68 0.43 0.24 0.04 -1.26 -4.32 135.00 126.67 1jkn s PRO 85 Ca 0.25 0.80 0.29 0.00 0.04 0.00 0.00 61.00 62.38 1jkn s PRO 85 Cb -0.09 -1.58 1.53 0.00 0.04 0.00 0.00 34.50 34.39 1jkn s PRO 85 CO 0.16 -3.55 1.89 -1.00 0.04 0.00 0.00 177.00 174.54 1jkn h PRO 86 N -2.50 0.00 0.05 0.56 0.13 -2.00 0.74 132.00 128.98 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 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.51 0.00 -1.96 1.63 -0.23 0.00 0.00 178.00 177.96 1jkn n LYS 87 N -2.55 0.69 -0.04 0.86 5.02 -1.26 -3.11 118.16 117.77 1jkn n LYS 87 Ca -0.01 0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1jkn n LYS 87 Cb 0.09 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.26 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jkn h VAL 88 N 0.03 1.48 -0.52 -0.18 2.07 -1.70 -1.93 116.25 115.50 1jkn h VAL 88 Ca -0.39 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 64.81 1jkn h VAL 88 Cb 2.04 3.05 -0.04 0.00 -1.52 0.00 0.00 31.29 34.82 1jkn h VAL 88 CO 0.06 0.58 0.28 -0.09 0.02 0.00 0.00 177.57 178.43 1jkn h ARG 89 N -0.80 0.54 0.00 1.57 1.12 0.28 0.64 114.38 117.73 1jkn h ARG 89 Ca -0.13 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.63 1jkn h ARG 89 Cb 1.27 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 1jkn h ARG 89 CO -0.01 0.36 -0.37 1.49 -3.11 0.00 0.00 179.97 178.33 1jkn h GLU 90 N 0.55 0.00 0.01 0.20 4.57 -1.67 -2.40 114.58 115.84 1jkn h GLU 90 Ca 0.22 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1jkn h GLU 90 Cb 0.10 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1jkn h GLU 90 CO -0.14 0.37 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.51 1jkn h LYS 91 N 0.00 0.21 -0.40 1.92 3.11 -0.28 -3.31 116.57 117.82 1jkn h LYS 91 Ca -0.00 -0.24 0.04 0.00 -2.81 0.00 0.00 60.65 57.64 1jkn h LYS 91 Cb 0.75 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 32.02 1jkn h LYS 91 CO 0.05 0.98 0.18 -0.07 -2.81 0.00 0.00 179.45 177.77 1jkn h LEU 92 N -0.45 0.24 -1.86 5.20 3.38 0.28 0.59 115.31 122.69 1jkn h LEU 92 Ca -0.04 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.35 1jkn h LEU 92 Cb 1.10 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1jkn h LEU 92 CO 0.07 0.18 0.96 0.78 0.09 0.00 0.00 178.44 180.51 1jkn h ASN 93 N 0.37 0.08 0.00 -0.43 2.35 -1.52 1.64 115.58 118.06 1jkn h ASN 93 Ca 0.18 0.02 -0.38 0.00 -0.55 0.00 0.00 56.30 55.57 1jkn h ASN 93 Cb 0.11 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1jkn h ASN 93 CO -0.14 -0.01 -2.08 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.23 1.53 0.24 2.81 5.41 -0.33 -2.76 119.36 122.02 1jkn n ILE 94 Ca 0.31 -0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 1jkn n ILE 94 Cb 1.39 -1.94 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 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 -1.00 -0.61 0.00 0.38 4.15 0.10 -3.28 115.11 114.85 1jkn h GLN 95 Ca -0.58 0.04 -0.22 0.00 0.77 0.00 0.00 58.65 58.67 1jkn h GLN 95 Cb 1.50 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 29.33 1jkn h GLN 95 CO -0.35 -0.31 -0.93 -1.49 -1.93 0.00 0.00 178.83 173.82 1jkn h TRP 96 N -0.96 0.52 -0.40 3.99 4.06 0.20 -3.48 115.95 119.88 1jkn h TRP 96 Ca -0.07 -0.29 -0.00 0.00 2.06 0.00 0.00 58.89 60.60 1jkn h TRP 96 Cb 0.59 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.01 1.11 -0.01 0.41 -3.56 0.00 0.00 178.44 176.40 1jkn n GLY 97 N 0.94 0.58 3.24 1.49 0.00 0.84 -4.98 105.19 107.29 1jkn n GLY 97 Ca -0.06 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 2.34 -0.83 1.61 0.01 -1.24 -4.98 113.70 107.61 1jkn s SER 98 Ca 0.00 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1jkn s SER 98 Cb -0.00 -0.16 0.31 0.00 0.21 0.00 0.00 66.02 66.38 1jkn s SER 98 CO 0.00 0.09 1.29 0.47 0.41 0.00 0.00 173.24 175.50 1jkn n ASP 99 N 1.52 5.62 -4.36 2.44 8.00 -1.26 -3.80 116.55 124.72 1jkn n ASP 99 Ca -0.18 -3.58 -0.27 0.00 0.71 0.00 0.00 54.79 51.46 1jkn n ASP 99 Cb 0.54 -0.92 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.39 2.14 0.19 1.24 0.52 -1.26 -5.03 118.94 113.35 1jkn s TRP 100 Ca 0.40 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 100 Cb 0.18 -1.16 0.06 0.00 -1.15 0.00 0.00 33.47 31.40 1jkn s TRP 100 CO -0.06 0.30 1.44 0.87 0.02 0.00 0.00 176.95 179.52 1jkn h LYS 101 N 3.93 0.02 0.00 4.98 6.56 -1.83 -3.49 116.57 126.74 1jkn h LYS 101 Ca -0.49 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 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 0.39 0.83 0.00 0.41 -2.06 0.00 0.00 179.45 179.02 1jkn n GLY 102 N 0.80 3.34 3.35 3.86 0.00 -1.26 -3.89 105.19 111.39 1jkn n GLY 102 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 4.08 0.51 -0.51 1.61 -0.21 -1.12 -3.57 119.66 120.46 1jkn s GLN 103 Ca 0.00 1.15 -0.20 0.00 0.02 0.00 0.00 55.36 56.33 1jkn s GLN 103 Cb 0.00 0.54 0.05 0.00 1.00 0.00 0.00 33.01 34.60 1jkn s GLN 103 CO 0.00 -0.39 0.65 0.00 -2.12 0.00 0.00 175.29 173.43 1jkn s ALA 104 N 2.80 3.36 0.14 6.09 0.00 -1.17 -3.49 121.76 129.48 1jkn s ALA 104 Ca 0.05 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1jkn s ALA 104 Cb -0.13 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1jkn s ALA 104 CO -0.18 -2.03 -0.18 1.14 0.00 0.00 0.00 175.76 174.51 1jkn s GLN 105 N 2.76 1.17 -0.55 0.00 -2.07 -0.87 -3.47 119.66 116.63 1jkn s GLN 105 Ca 0.17 -1.29 -0.11 0.00 -1.82 0.00 0.00 55.36 52.30 1jkn s GLN 105 Cb -0.18 -1.26 0.14 0.00 -1.09 0.00 0.00 33.01 30.61 1jkn s GLN 105 CO 0.13 0.27 0.45 0.15 -1.32 0.00 0.00 175.29 174.97 1jkn s LYS 106 N -2.47 2.78 0.29 9.60 -0.14 -1.22 0.07 119.74 128.65 1jkn s LYS 106 Ca 0.11 -1.89 -0.29 0.00 -1.36 0.00 0.00 55.97 52.54 1jkn s LYS 106 Cb -0.07 -4.09 -0.10 0.00 -1.68 0.00 0.00 37.83 31.89 1jkn s LYS 106 CO 0.05 -1.25 1.40 -1.58 -0.76 0.00 0.00 175.35 173.22 1jkn s TRP 107 N 1.18 2.98 -0.03 3.18 0.52 -1.26 -3.54 118.94 121.97 1jkn s TRP 107 Ca 0.07 1.16 0.06 0.00 0.02 0.00 0.00 56.10 57.42 1jkn s TRP 107 Cb -0.25 -3.80 -0.01 0.00 -1.15 0.00 0.00 33.47 28.26 1jkn s TRP 107 CO -0.01 -2.45 -0.23 -0.06 0.02 0.00 0.00 176.95 174.23 1jkn s PHE 108 N -0.48 2.11 0.52 -1.98 0.40 -0.51 -1.97 117.98 116.07 1jkn s PHE 108 Ca 0.55 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 56.22 1jkn s PHE 108 Cb -0.42 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 1jkn s PHE 108 CO 0.48 -0.11 0.99 -1.17 0.70 0.00 0.00 175.22 176.12 1jkn s LEU 109 N -0.34 3.63 -0.13 -0.37 2.96 0.25 0.13 118.68 124.81 1jkn s LEU 109 Ca 0.03 1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 55.50 1jkn s LEU 109 Cb -0.11 -4.51 0.06 0.00 0.50 0.00 0.00 46.19 42.13 1jkn s LEU 109 CO 0.01 -0.65 0.30 -0.36 -1.32 0.00 0.00 176.35 174.33 1jkn s PHE 110 N -2.57 -0.45 -0.22 5.38 0.40 0.50 -2.52 117.98 118.50 1jkn s PHE 110 Ca 0.60 1.01 -0.19 0.00 -0.60 0.00 0.00 56.93 57.75 1jkn s PHE 110 Cb -0.11 0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.48 1jkn s PHE 110 CO 0.31 -0.32 0.54 0.21 0.70 0.00 0.00 175.22 176.66 1jkn s LYS 111 N 1.78 4.15 0.00 0.44 2.20 0.38 -0.09 119.74 128.61 1jkn s LYS 111 Ca -0.05 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 55.68 1jkn s LYS 111 Cb -0.11 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 1jkn s LYS 111 CO -0.10 -0.24 1.53 0.12 -0.36 0.00 0.00 175.35 176.30 1jkn s PHE 112 N 1.94 2.54 -0.25 4.03 5.36 -0.69 -1.60 117.98 129.30 1jkn s PHE 112 Ca 0.24 0.54 0.11 0.00 -0.96 0.00 0.00 56.93 56.86 1jkn s PHE 112 Cb -0.16 -3.80 0.46 0.00 -0.34 0.00 0.00 43.02 39.18 1jkn s PHE 112 CO 0.09 -3.15 1.18 0.25 -1.46 0.00 0.00 175.22 172.14 1jkn n THR 113 N 4.87 2.14 -0.98 0.12 -2.24 0.28 -4.75 114.28 113.73 1jkn n THR 113 Ca 0.15 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 1jkn n THR 113 Cb 0.42 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.72 5.56 3.26 3.38 0.00 -1.20 -4.77 105.19 110.70 1jkn n GLY 114 Ca 0.31 -1.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 3.54 1.07 0.44 1.61 1.11 -1.26 -5.00 119.66 121.17 1jkn s GLN 115 Ca 0.00 -1.25 0.15 0.00 0.01 0.00 0.00 55.36 54.27 1jkn s GLN 115 Cb 0.00 -1.02 0.81 0.00 -1.01 0.00 0.00 33.01 31.79 1jkn s GLN 115 CO 0.00 0.20 1.37 -0.44 0.01 0.00 0.00 175.29 176.44 1jkn h ASP 116 N 3.54 0.00 1.64 5.90 3.32 -2.02 0.79 116.42 129.59 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 5.75 -2.03 -3.11 115.11 119.28 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1jkn h GLN 117 Cb 0.83 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 1jkn h GLN 117 CO 0.00 0.00 -0.54 1.49 -2.65 0.00 0.00 178.83 177.13 1jkn h GLU 118 N 0.00 0.00 -6.27 1.69 4.57 0.26 -3.43 114.58 111.40 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 0.82 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.36 1jkn h GLU 118 CO 0.00 0.54 1.19 0.42 -1.18 0.00 0.00 179.01 179.98 1jkn s ILE 119 N -2.98 3.62 -0.42 2.32 1.01 -1.18 -3.73 121.20 119.84 1jkn s ILE 119 Ca 0.03 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.22 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 0.75 -1.05 0.15 0.20 0.00 0.00 0.00 174.94 174.99 1jkn s ASN 120 N 5.59 4.64 0.63 3.58 -0.87 0.33 -4.95 114.94 123.89 1jkn s ASN 120 Ca 0.58 -2.50 0.33 0.00 -1.57 0.00 0.00 52.86 49.70 1jkn s ASN 120 Cb -0.12 -1.65 1.80 0.00 -0.02 0.00 0.00 41.25 41.25 1jkn s ASN 120 CO 0.24 -0.33 2.08 -0.07 -2.57 0.00 0.00 177.10 176.45 1jkn h LEU 121 N 7.19 0.00 0.65 0.60 3.38 -1.78 -2.01 115.31 123.34 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jkn h LEU 121 CO 0.60 0.00 -0.31 -0.07 0.09 0.00 0.00 178.44 178.75 1jkn h LEU 122 N 0.00 -0.74 0.00 1.67 3.38 -1.81 -3.27 115.31 114.54 1jkn h LEU 122 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jkn h LEU 122 Cb 0.51 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1jkn h LEU 122 CO -0.00 -0.49 0.00 0.61 0.09 0.00 0.00 178.44 178.65 1jkn n GLY 123 N -1.29 0.80 1.95 0.83 0.00 -0.77 -3.02 105.19 103.69 1jkn n GLY 123 Ca -0.13 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 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 6.32 -1.36 1.61 5.75 -1.13 -4.66 116.55 126.09 1jkn n ASP 124 Ca 0.00 -3.19 -0.12 0.00 -0.01 0.00 0.00 54.79 51.47 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 0.01 -0.01 0.78 6.12 0.00 -1.26 -4.91 105.19 105.91 1jkn n GLY 125 Ca 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.31 0.36 -4.96 1.61 7.64 -1.26 -5.09 113.62 111.60 1jkn n SER 126 Ca -0.14 0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.59 1jkn n SER 126 Cb 0.59 -0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.33 3.04 0.43 1.43 1.03 -1.26 -5.09 118.70 116.94 1jkn s GLU 127 Ca -0.02 -1.07 -0.23 0.00 0.03 0.00 0.00 54.97 53.68 1jkn s GLU 127 Cb 0.00 -2.75 -0.08 0.00 -0.80 0.00 0.00 34.13 30.50 1jkn s GLU 127 CO 0.03 0.07 1.08 0.15 -1.33 0.00 0.00 175.26 175.26 1jkn s LYS 128 N -4.14 3.98 0.30 -4.83 3.01 -1.26 -4.58 119.74 112.23 1jkn s LYS 128 Ca 0.44 1.56 -0.28 0.00 -1.01 0.00 0.00 55.97 56.68 1jkn s LYS 128 Cb -0.09 -2.43 -0.13 0.00 -1.01 0.00 0.00 37.83 34.17 1jkn s LYS 128 CO 0.30 -0.31 1.12 -2.30 0.51 0.00 0.00 175.35 174.67 1jkn n PRO 129 N -0.35 1.64 -0.05 -1.68 -0.02 -1.17 -4.90 135.00 128.47 1jkn n PRO 129 Ca 0.06 0.58 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1jkn n PRO 129 Cb 0.50 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.72 1.96 -4.39 -0.52 4.71 -1.23 -5.00 120.64 116.88 1jkn n GLU 130 Ca 0.08 0.01 -0.24 0.00 -0.01 0.00 0.00 57.16 57.00 1jkn n GLU 130 Cb 0.33 -1.26 -0.09 0.00 -1.01 0.00 0.00 31.44 29.41 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1jkn s PHE 131 N -2.25 2.47 -0.08 -0.32 0.08 -1.26 -2.61 117.98 114.02 1jkn s PHE 131 Ca -0.07 -0.28 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1jkn s PHE 131 Cb 0.03 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1jkn s PHE 131 CO 0.40 0.66 0.11 0.41 -0.10 0.00 0.00 175.22 176.71 1jkn n GLY 132 N -0.68 0.18 3.61 4.36 0.00 -1.11 -4.59 105.19 106.96 1jkn n GLY 132 Ca -0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.87 1.82 0.02 1.61 8.01 -1.26 -5.01 118.70 122.02 1jkn s GLU 133 Ca -0.00 -1.45 -0.28 0.00 0.01 0.00 0.00 54.97 53.25 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -4.31 0.00 0.00 34.13 30.41 1jkn s GLU 133 CO 0.15 -0.78 0.64 1.67 0.01 0.00 0.00 175.26 176.95 1jkn s TRP 134 N -3.35 -0.60 0.07 1.61 1.48 -1.26 -0.39 118.94 116.49 1jkn s TRP 134 Ca 0.23 0.85 -0.15 0.00 -1.06 0.00 0.00 56.10 55.97 1jkn s TRP 134 Cb -0.02 0.44 0.03 0.00 -1.16 0.00 0.00 33.47 32.76 1jkn s TRP 134 CO 0.13 -0.68 0.35 -1.12 -4.06 0.00 0.00 176.95 171.58 1jkn s SER 135 N -1.68 -0.18 -0.19 -2.66 0.01 0.20 -4.96 113.70 104.23 1jkn s SER 135 Ca -0.07 -0.22 -0.19 0.00 1.31 0.00 0.00 55.95 56.78 1jkn s SER 135 Cb -0.00 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 1jkn s SER 135 CO 0.03 -0.71 0.53 0.26 0.41 0.00 0.00 173.24 173.75 1jkn s TRP 136 N -3.04 3.39 0.05 2.43 0.52 -1.26 -1.53 118.94 119.50 1jkn s TRP 136 Ca -0.02 0.81 0.03 0.00 0.02 0.00 0.00 56.10 56.94 1jkn s TRP 136 Cb 0.01 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1jkn s TRP 136 CO -0.06 -0.08 -0.09 0.14 0.02 0.00 0.00 176.95 176.88 1jkn s VAL 137 N 1.54 0.69 0.74 4.03 -7.23 -1.13 -4.87 120.40 114.18 1jkn s VAL 137 Ca 0.25 -1.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 1jkn s VAL 137 Cb -0.15 -0.81 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1jkn s VAL 137 CO 0.10 -0.39 1.10 0.42 -0.31 0.00 0.00 175.10 176.02 1jkn s THR 138 N -1.54 3.27 0.58 5.32 -4.23 -1.26 0.99 115.64 118.76 1jkn s THR 138 Ca -0.06 0.46 0.32 0.00 -1.18 0.00 0.00 61.69 61.23 1jkn s THR 138 Cb -0.09 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.12 1jkn s THR 138 CO 0.00 -0.49 1.96 1.55 -0.54 0.00 0.00 174.62 177.11 1jkn h PRO 139 N -0.80 0.00 0.05 3.99 0.13 -1.95 0.21 132.00 133.63 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1jkn h PRO 139 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.52 0.00 -1.95 0.39 -0.23 0.00 0.00 178.00 176.73 1jkn n GLU 140 N -2.84 0.69 -0.01 0.86 1.02 -1.26 -3.68 120.64 115.43 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 0.29 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jkn h GLN 141 N 0.03 -0.02 -0.78 3.49 1.08 -1.03 -2.71 115.11 115.17 1jkn h GLN 141 Ca -0.39 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.42 1jkn h GLN 141 CO 0.06 0.45 0.53 1.25 -0.95 0.00 0.00 178.83 180.17 1jkn h LEU 142 N -0.50 0.29 -1.39 1.46 5.85 -1.08 1.10 115.31 121.03 1jkn h LEU 142 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jkn h LEU 142 Cb 0.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jkn h LEU 142 CO 0.00 0.14 -0.30 0.40 -0.34 0.00 0.00 178.44 178.34 1jkn h ILE 143 N 0.30 1.09 0.03 4.05 5.03 -1.59 0.39 117.51 126.81 1jkn h ILE 143 Ca 0.38 -1.07 -0.22 0.00 -0.12 0.00 0.00 64.86 63.83 1jkn h ILE 143 Cb 1.06 1.60 -0.01 0.00 -3.03 0.00 0.00 36.82 36.44 1jkn h ILE 143 CO -0.10 0.29 -0.99 -0.78 -0.68 0.00 0.00 178.15 175.89 1jkn h ASP 144 N 0.00 0.25 -0.05 1.72 1.82 0.15 -3.25 116.42 117.07 1jkn h ASP 144 Ca -0.00 -0.23 -0.24 0.00 -0.39 0.00 0.00 57.03 56.17 1jkn h ASP 144 Cb 0.58 -0.08 0.02 0.00 0.68 0.00 0.00 39.33 40.52 1jkn h ASP 144 CO 0.04 1.10 -0.90 -0.07 -1.61 0.00 0.00 179.24 177.80 1jkn h LEU 145 N 0.08 0.88 -9.90 2.28 3.38 -0.46 -3.46 115.31 108.10 1jkn h LEU 145 Ca -0.06 -0.70 -0.50 0.00 0.09 0.00 0.00 57.88 56.71 1jkn h LEU 145 Cb 1.67 -0.26 0.22 0.00 0.09 0.00 0.00 40.66 42.37 1jkn h LEU 145 CO 0.15 1.46 -0.47 0.41 0.09 0.00 0.00 178.44 180.08 1jkn n THR 146 N -3.93 0.00 -3.79 0.22 -1.04 0.13 -4.52 114.28 101.34 1jkn n THR 146 Ca -0.10 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.47 1jkn n THR 146 Cb 0.81 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 68.56 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 -2.40 5.16 0.39 12.58 0.11 -1.26 -4.89 120.40 130.08 1jkn s VAL 147 Ca 0.60 -0.85 0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1jkn s VAL 147 Cb -0.20 -3.84 0.38 0.00 -1.53 0.00 0.00 36.38 31.19 1jkn s VAL 147 CO 0.65 -0.38 1.78 -0.33 -3.33 0.00 0.00 175.10 173.48 1jkn h GLU 148 N 1.04 0.42 -0.13 1.54 4.39 -1.95 0.58 114.58 120.49 1jkn h GLU 148 Ca -0.51 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1jkn h GLU 148 Cb 1.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1jkn h GLU 148 CO 0.61 0.28 0.00 1.97 -1.16 0.00 0.00 179.01 180.71 1jkn n PHE 149 N -4.64 0.16 -0.26 4.33 1.16 -1.26 -3.53 117.46 113.42 1jkn n PHE 149 Ca 0.25 -0.08 0.00 0.00 -1.87 0.00 0.00 57.45 55.75 1jkn n PHE 149 Cb 0.83 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 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 -0.12 1.38 0.29 3.97 5.02 0.18 -4.54 118.16 124.34 1jkn n LYS 150 Ca 0.11 -0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1jkn n LYS 150 Cb 0.17 -0.52 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.86 -0.69 1.97 1.57 -0.98 0.15 116.57 117.73 1jkn h LYS 151 Ca 0.00 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jkn h LYS 151 Cb 0.13 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1jkn h LYS 151 CO 0.00 -0.57 0.41 -1.00 -0.57 0.00 0.00 179.45 177.72 1jkn h PRO 152 N -0.89 0.94 0.00 3.15 0.13 -1.88 0.69 132.00 134.13 1jkn h PRO 152 Ca -0.07 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1jkn h PRO 152 Cb 0.74 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jkn h PRO 152 CO 0.02 0.67 -0.02 0.28 -0.23 0.00 0.00 178.00 178.71 1jkn h VAL 153 N 0.94 0.77 0.00 1.56 2.07 -1.84 -1.05 116.25 118.69 1jkn h VAL 153 Ca 0.25 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.50 1jkn h VAL 153 Cb -0.03 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1jkn h VAL 153 CO -0.05 0.02 -1.12 -1.22 0.02 0.00 0.00 177.57 175.22 1jkn n TYR 154 N -4.15 0.90 -0.26 1.57 4.02 0.03 -3.72 117.16 115.56 1jkn n TYR 154 Ca -0.03 0.39 0.30 0.00 -0.01 0.00 0.00 57.90 58.55 1jkn n TYR 154 Cb 0.11 -0.99 0.70 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.07 -0.22 -0.72 1.57 0.47 0.47 116.57 117.22 1jkn h LYS 155 Ca -0.26 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1jkn h LYS 155 Cb 1.09 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1jkn h LYS 155 CO -0.16 0.05 -0.19 1.49 -0.57 0.00 0.00 179.45 180.07 1jkn h GLU 156 N 0.07 0.51 -0.27 3.15 4.57 -1.35 0.23 114.58 121.49 1jkn h GLU 156 Ca 0.50 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1jkn h GLU 156 Cb 1.87 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.44 1jkn h GLU 156 CO -0.05 0.83 0.09 0.28 -1.18 0.00 0.00 179.01 178.98 1jkn h VAL 157 N 0.20 0.93 -0.08 0.32 2.07 -0.19 0.14 116.25 119.62 1jkn h VAL 157 Ca 0.04 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1jkn h VAL 157 Cb 0.73 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1jkn h VAL 157 CO 0.05 0.04 0.02 -0.07 0.02 0.00 0.00 177.57 177.63 1jkn h LEU 158 N 0.21 0.13 -0.66 2.57 3.38 -1.19 -1.16 115.31 118.59 1jkn h LEU 158 Ca 0.12 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1jkn h LEU 158 Cb 0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1jkn h LEU 158 CO -0.12 0.32 0.16 0.28 0.09 0.00 0.00 178.44 179.17 1jkn h SER 159 N -0.07 0.04 0.79 -0.43 0.02 -0.12 2.13 113.55 115.90 1jkn h SER 159 Ca 0.03 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1jkn h SER 159 Cb 0.24 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1jkn h SER 159 CO 0.00 0.01 -0.24 0.58 -1.14 0.00 0.00 176.83 176.04 1jkn h VAL 160 N 0.29 0.63 -0.02 2.27 2.07 -0.58 -2.83 116.25 118.08 1jkn h VAL 160 Ca 0.36 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1jkn h VAL 160 Cb 0.56 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1jkn h VAL 160 CO -0.44 0.23 -0.20 0.49 0.02 0.00 0.00 177.57 177.68 1jkn n PHE 161 N -3.47 0.00 -0.22 1.57 3.72 0.12 -4.57 117.46 114.61 1jkn n PHE 161 Ca -0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1jkn n PHE 161 Cb 0.41 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.00 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 4.22 0.27 -0.49 4.37 0.00 0.35 0.26 119.26 128.24 1jkn h ALA 162 Ca 0.00 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.28 1jkn h ALA 162 Cb 0.87 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1jkn h ALA 162 CO 0.00 -0.51 0.64 -1.00 0.00 0.00 0.00 179.25 178.38 1jkn h PRO 163 N -0.06 0.00 0.00 0.00 0.13 -1.80 0.56 132.00 130.82 1jkn h PRO 163 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1jkn h PRO 163 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1jkn h PRO 163 CO -0.69 0.00 -1.55 0.72 -0.23 0.00 0.00 178.00 176.25 1jkn n HIS 164 N -3.43 0.00 -0.36 1.56 8.25 0.80 -5.21 115.22 116.83 1jkn n HIS 164 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1jkn n HIS 164 Cb 0.83 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26