#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 -0.74 -1.28 1.61 -0.04 -1.26 -4.92 135.00 128.36 1jkn n PRO 2 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 1jkn n PRO 2 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1jkn n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jkn n LEU 3 N 0.00 0.00 -2.89 1.53 4.77 -1.26 -4.70 117.00 114.46 1jkn n LEU 3 Ca 0.00 1.38 -0.17 0.00 -0.03 0.00 0.00 56.01 57.19 1jkn n LEU 3 Cb 0.00 -3.88 -0.01 0.00 -2.33 0.00 0.00 43.42 37.20 1jkn n LEU 3 CO 0.00 -2.72 -0.09 0.61 -1.33 0.00 0.00 177.39 173.86 1jkn n GLY 4 N -3.76 3.42 3.57 -0.72 0.00 -1.26 -4.97 105.19 101.47 1jkn n GLY 4 Ca 0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 1jkn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 5 N -2.94 -0.70 -0.27 1.61 0.01 -1.26 -4.84 113.70 105.30 1jkn s SER 5 Ca 0.38 1.03 0.01 0.00 1.31 0.00 0.00 55.95 58.68 1jkn s SER 5 Cb 0.39 1.56 0.08 0.00 0.21 0.00 0.00 66.02 68.25 1jkn s SER 5 CO -0.06 -0.15 0.01 -0.32 0.41 0.00 0.00 173.24 173.13 1jkn s MET 6 N 1.99 1.28 -0.02 12.44 1.75 0.25 -4.96 119.30 132.04 1jkn s MET 6 Ca -0.07 -1.15 0.01 0.00 -1.25 0.00 0.00 55.69 53.23 1jkn s MET 6 Cb -0.06 -2.52 0.05 0.00 2.84 0.00 0.00 34.83 35.14 1jkn s MET 6 CO -0.17 -0.77 0.79 -0.40 -0.65 0.00 0.00 175.02 173.81 1jkn n ASP 7 N 4.66 2.06 0.00 1.11 5.68 -1.26 0.21 116.55 129.01 1jkn n ASP 7 Ca -0.06 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 1jkn n ASP 7 Cb 0.43 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jkn n SER 8 N 0.20 0.00 -4.61 -1.12 7.64 -1.26 -4.96 113.62 109.52 1jkn n SER 8 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1jkn n SER 8 Cb 0.42 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jkn s PRO 9 N 0.00 3.27 0.00 1.43 0.04 -1.26 -4.97 135.00 133.51 1jkn s PRO 9 Ca 0.00 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1jkn s PRO 9 Cb 0.00 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1jkn s PRO 9 CO 0.00 -1.94 0.00 -0.35 0.04 0.00 0.00 177.00 174.75 1jkn n PRO 10 N 8.56 0.42 -2.87 0.56 -0.04 -1.26 -5.09 135.00 135.29 1jkn n PRO 10 Ca 0.27 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.48 1jkn n PRO 10 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1jkn s GLU 11 N -2.43 3.36 0.00 0.54 4.04 -1.26 -4.30 118.70 118.66 1jkn s GLU 11 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 54.97 54.92 1jkn s GLU 11 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 34.13 31.68 1jkn s GLU 11 CO 0.00 -0.18 0.00 0.41 -1.84 0.00 0.00 175.26 173.65 1jkn n GLY 12 N -2.14 2.92 3.47 -3.83 0.00 -1.26 -5.01 105.19 99.33 1jkn n GLY 12 Ca -0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.38 2.86 0.49 1.61 2.02 -1.26 -1.23 117.35 119.45 1jkn s TYR 13 Ca 0.00 -0.30 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 1jkn s TYR 13 Cb 0.00 -1.78 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 1jkn s TYR 13 CO 0.00 0.05 0.98 -0.98 -1.57 0.00 0.00 175.55 174.03 1jkn s ARG 14 N -0.19 3.97 0.34 -0.62 1.70 -1.24 -4.61 118.95 118.29 1jkn s ARG 14 Ca 0.01 1.05 -0.28 0.00 -0.47 0.00 0.00 55.73 56.04 1jkn s ARG 14 Cb -0.13 -2.14 -0.12 0.00 -0.57 0.00 0.00 34.95 31.99 1jkn s ARG 14 CO 0.03 -0.26 1.40 0.54 -1.08 0.00 0.00 175.30 175.93 1jkn n ARG 15 N -1.30 2.38 -3.70 3.89 5.12 -1.26 -2.85 116.66 118.94 1jkn n ARG 15 Ca 0.07 0.84 -0.10 0.00 -1.93 0.00 0.00 57.85 56.73 1jkn n ARG 15 Cb 0.54 -2.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.29 1jkn n ARG 15 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1jkn s ASN 16 N -0.11 -0.19 -0.06 0.55 -0.87 -0.91 -3.48 114.94 109.87 1jkn s ASN 16 Ca 0.56 -0.42 -0.02 0.00 -1.57 0.00 0.00 52.86 51.41 1jkn s ASN 16 Cb -0.53 0.48 0.04 0.00 -0.02 0.00 0.00 41.25 41.22 1jkn s ASN 16 CO 0.60 -0.89 0.11 0.68 -2.57 0.00 0.00 177.10 175.03 1jkn s VAL 17 N -3.84 -0.14 0.04 1.60 -7.23 -0.10 -3.00 120.40 107.73 1jkn s VAL 17 Ca 0.06 0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1jkn s VAL 17 Cb 0.02 -0.21 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 1jkn s VAL 17 CO -0.09 0.13 0.26 -0.83 -0.31 0.00 0.00 175.10 174.26 1jkn s GLY 18 N 1.82 2.22 -0.32 2.32 0.00 -1.21 -1.00 107.32 111.15 1jkn s GLY 18 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1jkn s GLY 18 CO -0.05 -0.57 0.03 -0.42 0.00 0.00 0.00 173.10 172.10 1jkn s ILE 19 N -1.43 2.02 -0.54 0.90 1.09 -0.73 -0.37 121.20 122.13 1jkn s ILE 19 Ca 0.32 -2.07 -0.22 0.00 -1.10 0.00 0.00 60.65 57.58 1jkn s ILE 19 Cb -0.13 -2.44 0.05 0.00 -1.06 0.00 0.00 42.46 38.88 1jkn s ILE 19 CO 0.21 -0.52 0.81 0.00 -0.10 0.00 0.00 174.94 175.34 1jkn s LEU 21 N 3.39 4.05 0.14 0.00 2.96 -1.26 0.17 118.68 128.14 1jkn s LEU 21 Ca 0.23 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1jkn s LEU 21 Cb -0.16 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1jkn s LEU 21 CO 0.15 0.21 -0.12 0.00 -1.32 0.00 0.00 176.35 175.27 1jkn s MET 22 N -2.17 1.05 0.41 1.98 0.23 0.27 0.13 119.30 121.20 1jkn s MET 22 Ca 0.29 -1.35 0.08 0.00 -1.03 0.00 0.00 55.69 53.67 1jkn s MET 22 Cb -0.12 -0.77 -0.01 0.00 -1.53 0.00 0.00 34.83 32.39 1jkn s MET 22 CO 0.21 0.12 0.44 0.54 -2.03 0.00 0.00 175.02 174.30 1jkn s ASN 23 N -2.82 5.31 0.47 -1.18 4.22 -0.67 -1.74 114.94 118.52 1jkn s ASN 23 Ca 0.13 -0.60 0.25 0.00 -2.14 0.00 0.00 52.86 50.50 1jkn s ASN 23 Cb -0.01 -0.66 1.36 0.00 1.28 0.00 0.00 41.25 43.21 1jkn s ASN 23 CO 0.02 -0.65 1.73 -1.13 -2.04 0.00 0.00 177.10 175.03 1jkn h ASN 24 N 0.92 0.00 -0.03 3.54 -1.24 -1.92 0.53 115.58 117.38 1jkn h ASN 24 Ca -0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 1jkn h ASN 24 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1jkn h ASN 24 CO 0.53 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.14 1jkn n ASP 25 N -2.49 1.37 -0.38 1.15 8.00 -1.26 -4.91 116.55 118.02 1jkn n ASP 25 Ca -0.02 -1.48 -0.04 0.00 0.71 0.00 0.00 54.79 53.97 1jkn n ASP 25 Cb 0.22 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jkn n LYS 26 N 0.08 -0.29 -2.91 -1.24 5.02 0.19 -5.05 118.16 113.95 1jkn n LYS 26 Ca 0.19 0.33 -0.19 0.00 -2.02 0.00 0.00 58.31 56.62 1jkn n LYS 26 Cb 0.33 -4.02 0.03 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 -3.57 2.57 -0.22 1.97 1.02 -1.24 -4.80 119.74 115.46 1jkn s LYS 27 Ca 0.00 -1.24 -0.05 0.00 0.02 0.00 0.00 55.97 54.70 1jkn s LYS 27 Cb 0.00 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1jkn s LYS 27 CO 0.00 -0.58 0.00 0.42 -0.92 0.00 0.00 175.35 174.27 1jkn s ILE 28 N -2.56 3.80 -0.36 2.17 1.09 0.31 -1.68 121.20 123.97 1jkn s ILE 28 Ca 0.58 -0.35 -0.31 0.00 -1.10 0.00 0.00 60.65 59.47 1jkn s ILE 28 Cb -0.09 -2.74 -0.09 0.00 -1.06 0.00 0.00 42.46 38.48 1jkn s ILE 28 CO 0.36 0.40 2.27 0.33 -0.10 0.00 0.00 174.94 178.20 1jkn n PHE 29 N 4.70 1.65 -4.94 3.97 7.35 0.35 -2.98 117.46 127.56 1jkn n PHE 29 Ca -0.17 0.10 -0.31 0.00 -0.76 0.00 0.00 57.45 56.31 1jkn n PHE 29 Cb 0.51 -2.62 -0.14 0.00 0.35 0.00 0.00 39.48 37.59 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 8.63 2.47 -0.02 3.13 0.00 -0.66 -4.66 121.76 130.66 1jkn s ALA 30 Ca 1.06 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1jkn s ALA 30 Cb -0.57 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1jkn s ALA 30 CO 0.40 0.55 -0.18 0.00 0.00 0.00 0.00 175.76 176.54 1jkn s ALA 31 N -0.76 1.47 0.54 0.00 0.00 0.86 0.13 121.76 124.00 1jkn s ALA 31 Ca 0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1jkn s ALA 31 Cb -0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1jkn s ALA 31 CO 0.02 0.35 0.92 -1.54 0.00 0.00 0.00 175.76 175.51 1jkn s SER 32 N -0.36 6.35 0.69 0.00 1.04 0.19 -0.09 113.70 121.52 1jkn s SER 32 Ca 0.05 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.66 1jkn s SER 32 Cb -0.07 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1jkn s SER 32 CO -0.00 -0.68 1.06 -0.13 0.98 0.00 0.00 173.24 174.46 1jkn s ARG 33 N -4.69 2.98 0.00 4.02 0.52 0.40 -2.52 118.95 119.66 1jkn s ARG 33 Ca 0.53 0.96 0.25 0.00 -0.52 0.00 0.00 55.73 56.95 1jkn s ARG 33 Cb -0.11 -2.00 0.40 0.00 0.52 0.00 0.00 34.95 33.77 1jkn s ARG 33 CO 0.45 -1.06 1.34 1.28 0.02 0.00 0.00 175.30 177.32 1jkn n LEU 34 N -3.05 1.39 0.00 2.53 4.77 -1.08 -4.05 117.00 117.50 1jkn n LEU 34 Ca 0.08 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1jkn n LEU 34 Cb 0.53 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jkn n LEU 34 CO 0.55 0.26 -0.19 0.47 -1.33 0.00 0.00 177.39 177.16 1jkn n ASP 35 N -0.49 1.91 -4.05 -1.43 8.00 -1.26 -4.97 116.55 114.25 1jkn n ASP 35 Ca 0.10 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1jkn n ASP 35 Cb 0.39 0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 41.88 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 -0.93 1.99 0.19 0.53 1.01 -1.26 -5.10 121.20 117.63 1jkn s ILE 36 Ca 0.00 -1.36 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 1jkn s ILE 36 Cb 0.00 -2.06 -0.10 0.00 0.01 0.00 0.00 42.46 40.32 1jkn s ILE 36 CO 0.00 0.10 1.50 -2.16 0.00 0.00 0.00 174.94 174.38 1jkn s PRO 37 N 1.22 4.24 0.00 2.79 0.04 -1.26 -1.91 135.00 140.12 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 31.21 1jkn s PRO 37 CO -0.07 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.97 1jkn n ASP 38 N 3.40 -1.43 -4.45 6.66 -0.08 -1.26 -4.96 116.55 114.42 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 -0.66 -0.04 0.00 2.34 0.00 0.00 41.12 43.16 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 -2.82 3.17 0.16 -1.67 0.00 -0.80 -4.97 121.76 114.82 1jkn s ALA 39 Ca 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 49.92 1jkn s ALA 39 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1jkn s ALA 39 CO 0.00 -2.83 0.25 -1.58 0.00 0.00 0.00 175.76 171.59 1jkn s TRP 40 N 3.74 3.38 0.12 0.00 0.52 -1.26 0.15 118.94 125.59 1jkn s TRP 40 Ca 0.25 0.07 -0.15 0.00 0.02 0.00 0.00 56.10 56.29 1jkn s TRP 40 Cb -0.14 -1.61 0.05 0.00 -1.15 0.00 0.00 33.47 30.62 1jkn s TRP 40 CO 0.05 0.51 0.70 0.00 0.02 0.00 0.00 176.95 178.23 1jkn n GLN 41 N -0.56 0.42 -4.27 4.98 10.64 0.86 -4.48 117.38 124.97 1jkn n GLN 41 Ca -0.07 -0.96 -0.27 0.00 -1.83 0.00 0.00 57.00 53.86 1jkn n GLN 41 Cb 0.54 1.32 -0.09 0.00 -0.86 0.00 0.00 30.24 31.15 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1jkn s MET 42 N -2.03 2.13 0.41 2.61 -1.94 -1.26 -0.10 119.30 119.11 1jkn s MET 42 Ca 0.16 -1.23 -0.26 0.00 -1.71 0.00 0.00 55.69 52.64 1jkn s MET 42 Cb -0.02 -2.20 -0.09 0.00 2.01 0.00 0.00 34.83 34.54 1jkn s MET 42 CO 0.03 0.44 1.34 -1.25 -0.01 0.00 0.00 175.02 175.57 1jkn s PRO 43 N -2.84 3.94 0.30 2.03 0.04 -1.26 -4.93 135.00 132.29 1jkn s PRO 43 Ca 0.25 2.24 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1jkn s PRO 43 Cb -0.09 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1jkn s PRO 43 CO 0.16 -0.54 0.58 1.14 0.04 0.00 0.00 177.00 178.38 1jkn s GLN 44 N -2.24 1.82 0.36 4.56 -2.07 -1.26 -1.78 119.66 119.04 1jkn s GLN 44 Ca 0.57 -1.36 -0.07 0.00 -1.82 0.00 0.00 55.36 52.68 1jkn s GLN 44 Cb -0.40 0.52 0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1jkn s GLN 44 CO 0.51 -0.79 0.58 0.20 -1.32 0.00 0.00 175.29 174.47 1jkn s GLY 45 N -3.06 1.14 -0.22 2.60 0.00 -0.17 -4.86 107.32 102.75 1jkn s GLY 45 Ca 0.21 -1.28 0.14 0.00 0.00 0.00 0.00 44.72 43.79 1jkn s GLY 45 CO 0.12 -0.78 1.41 0.61 0.00 0.00 0.00 173.10 174.46 1jkn n GLY 46 N -0.56 4.49 1.12 0.20 0.00 -1.26 -0.93 105.19 108.26 1jkn n GLY 46 Ca -0.02 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.95 1jkn n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jkn n ILE 47 N -0.87 -0.82 -2.52 -0.61 5.41 -1.23 -4.15 119.36 114.57 1jkn n ILE 47 Ca 0.25 0.63 -0.24 0.00 1.00 0.00 0.00 62.75 64.39 1jkn n ILE 47 Cb 0.92 -0.97 0.11 0.00 -0.71 0.00 0.00 39.64 38.98 1jkn n ILE 47 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1jkn s ASP 48 N -6.00 4.36 -0.61 4.38 1.11 -1.26 -4.93 116.67 113.72 1jkn s ASP 48 Ca 0.00 -0.24 -0.26 0.00 0.18 0.00 0.00 52.55 52.23 1jkn s ASP 48 Cb 0.00 -0.17 -0.05 0.00 1.07 0.00 0.00 42.92 43.77 1jkn s ASP 48 CO 0.00 -1.85 2.10 -1.61 1.18 0.00 0.00 175.17 174.99 1jkn s GLU 49 N -5.17 2.35 -0.55 8.23 0.41 -1.26 -2.50 118.70 120.21 1jkn s GLU 49 Ca 0.66 0.79 -0.00 0.00 -0.41 0.00 0.00 54.97 56.00 1jkn s GLU 49 Cb -0.06 -4.56 0.00 0.00 -1.78 0.00 0.00 34.13 27.74 1jkn s GLU 49 CO 0.44 -3.12 0.46 0.41 -0.49 0.00 0.00 175.26 172.96 1jkn n GLY 50 N 6.01 0.09 3.57 -1.39 0.00 -1.26 -5.05 105.19 107.16 1jkn n GLY 50 Ca 0.30 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.69 2.23 0.22 1.61 2.12 -1.04 -5.10 118.70 114.05 1jkn s GLU 51 Ca 0.02 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 1jkn s GLU 51 Cb -0.01 -2.35 -0.09 0.00 0.26 0.00 0.00 34.13 31.95 1jkn s GLU 51 CO 0.33 0.53 1.32 0.34 -0.54 0.00 0.00 175.26 177.24 1jkn s ASP 52 N -1.95 6.87 0.10 -1.70 2.15 -1.26 -4.74 116.67 116.14 1jkn s ASP 52 Ca 0.20 2.45 -0.33 0.00 0.43 0.00 0.00 52.55 55.29 1jkn s ASP 52 Cb -0.11 -2.62 -0.14 0.00 -0.30 0.00 0.00 42.92 39.75 1jkn s ASP 52 CO 0.12 -0.53 1.53 -0.65 -0.17 0.00 0.00 175.17 175.47 1jkn h PRO 53 N 5.12 -0.71 -0.29 4.34 0.11 -1.98 0.55 132.00 139.14 1jkn h PRO 53 Ca -0.45 0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.79 1jkn h PRO 53 Cb 1.22 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 1jkn h PRO 53 CO 0.76 -0.47 0.29 -0.09 -0.21 0.00 0.00 178.00 178.27 1jkn h ARG 54 N -0.73 0.00 0.02 1.05 2.43 -1.92 -0.47 114.38 114.76 1jkn h ARG 54 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1jkn h ARG 54 Cb 0.74 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1jkn h ARG 54 CO -0.28 0.00 -0.43 -0.91 -1.51 0.00 0.00 179.97 176.85 1jkn h ASN 55 N 0.00 0.08 -0.31 -3.80 2.35 -1.60 -2.73 115.58 109.57 1jkn h ASN 55 Ca 0.14 -0.89 0.06 0.00 -0.55 0.00 0.00 56.30 55.06 1jkn h ASN 55 Cb 0.71 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1jkn h ASN 55 CO -0.00 1.18 0.21 0.00 -1.65 0.00 0.00 177.43 177.17 1jkn h ALA 56 N -0.09 2.12 0.11 -0.83 0.00 0.73 0.50 119.26 121.79 1jkn h ALA 56 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jkn h ALA 56 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1jkn h ALA 56 CO -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1jkn h ALA 57 N 1.84 -0.15 -0.35 0.00 0.00 -1.20 0.86 119.26 120.25 1jkn h ALA 57 Ca 0.14 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1jkn h ALA 57 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1jkn h ALA 57 CO -0.02 -0.26 0.27 0.82 0.00 0.00 0.00 179.25 180.07 1jkn h ILE 58 N -0.80 0.73 0.00 0.00 2.04 -1.09 0.31 117.51 118.69 1jkn h ILE 58 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1jkn h ILE 58 Cb 0.56 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1jkn h ILE 58 CO 0.02 0.00 -0.41 -0.09 0.00 0.00 0.00 178.15 177.68 1jkn h ARG 59 N 0.00 0.00 -0.47 2.37 2.43 -0.87 -3.31 114.38 114.53 1jkn h ARG 59 Ca 0.17 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 1jkn h ARG 59 Cb 0.72 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.19 1jkn h ARG 59 CO -0.00 0.74 0.01 0.93 -1.51 0.00 0.00 179.97 180.14 1jkn h GLU 60 N -1.00 0.13 0.06 0.20 4.39 0.14 -2.09 114.58 116.41 1jkn h GLU 60 Ca -0.10 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jkn h GLU 60 Cb 0.88 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1jkn h GLU 60 CO -0.06 0.08 -0.32 1.25 -1.16 0.00 0.00 179.01 178.80 1jkn h LEU 61 N 0.13 -0.95 -1.47 1.33 5.85 -0.58 0.36 115.31 119.97 1jkn h LEU 61 Ca 0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1jkn h LEU 61 Cb 0.35 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1jkn h LEU 61 CO -0.38 -0.40 0.05 -0.09 -0.34 0.00 0.00 178.44 177.28 1jkn h ARG 62 N -0.51 0.00 0.08 1.25 2.43 -1.55 0.62 114.38 116.70 1jkn h ARG 62 Ca 0.04 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.86 1jkn h ARG 62 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1jkn h ARG 62 CO -0.23 0.00 -2.02 0.39 -1.51 0.00 0.00 179.97 176.60 1jkn n GLU 63 N -2.29 0.72 -0.01 0.20 1.02 0.86 -2.16 120.64 118.98 1jkn n GLU 63 Ca -0.01 0.24 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 1jkn n GLU 63 Cb 0.08 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 29.69 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.34 0.63 0.00 3.49 1.02 0.90 -3.32 120.64 120.02 1jkn n GLU 64 Ca -0.31 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1jkn n GLU 64 Cb 1.05 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jkn n THR 65 N -2.98 0.00 -0.93 2.62 -2.24 0.21 -4.24 114.28 106.72 1jkn n THR 65 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1jkn n THR 65 Cb 0.99 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 2.33 0.51 3.59 3.38 0.00 -0.76 0.14 105.19 114.39 1jkn n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.36 3.10 -0.08 1.61 1.01 -1.25 -4.67 120.40 117.75 1jkn s VAL 67 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1jkn s VAL 67 Cb 0.00 -3.15 -0.24 0.00 0.00 0.00 0.00 36.38 32.99 1jkn s VAL 67 CO 0.00 -0.10 0.50 0.35 0.00 0.00 0.00 175.10 175.85 1jkn n THR 68 N 7.72 1.68 -2.68 3.92 -2.24 -1.26 -4.33 114.28 117.08 1jkn n THR 68 Ca 0.29 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1jkn n THR 68 Cb 0.46 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.22 5.22 -3.70 3.42 7.64 -1.26 -4.89 113.62 116.82 1jkn n SER 69 Ca -0.24 -3.06 -0.11 0.00 1.01 0.00 0.00 58.87 56.47 1jkn n SER 69 Cb 1.05 -1.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1jkn n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkn s ALA 70 N 0.76 -0.84 0.11 -0.43 0.00 -1.26 1.00 121.76 121.10 1jkn s ALA 70 Ca 0.41 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.74 1jkn s ALA 70 Cb 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1jkn s ALA 70 CO 0.01 -0.36 -0.27 -1.21 0.00 0.00 0.00 175.76 173.93 1jkn s GLU 71 N 1.66 1.49 -0.04 0.00 2.02 -0.91 -4.89 118.70 118.04 1jkn s GLU 71 Ca -0.07 -1.30 -0.30 0.00 0.02 0.00 0.00 54.97 53.33 1jkn s GLU 71 Cb -0.10 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1jkn s GLU 71 CO -0.11 0.46 1.08 0.08 0.02 0.00 0.00 175.26 176.80 1jkn s VAL 72 N -1.01 4.56 -0.02 2.63 1.01 -1.26 0.12 120.40 126.43 1jkn s VAL 72 Ca 0.14 1.84 0.14 0.00 0.00 0.00 0.00 61.98 64.10 1jkn s VAL 72 Cb -0.10 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 1jkn s VAL 72 CO 0.05 0.06 0.30 -0.38 0.00 0.00 0.00 175.10 175.13 1jkn n ILE 73 N 4.33 0.03 -3.63 2.22 2.08 0.29 -4.88 119.36 119.79 1jkn n ILE 73 Ca 0.09 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 62.96 1jkn n ILE 73 Cb 0.48 0.15 -0.04 0.00 -0.75 0.00 0.00 39.64 39.48 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 -2.97 -1.08 -0.20 -1.39 0.00 -1.12 -4.95 121.76 110.05 1jkn s ALA 74 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1jkn s ALA 74 Cb 0.09 0.80 0.10 0.00 0.00 0.00 0.00 23.12 24.11 1jkn s ALA 74 CO 0.59 -0.74 0.31 -1.83 0.00 0.00 0.00 175.76 174.09 1jkn s GLU 75 N -3.82 0.25 0.09 0.00 -1.05 -1.26 0.11 118.70 113.01 1jkn s GLU 75 Ca 0.05 0.55 -0.33 0.00 -0.15 0.00 0.00 54.97 55.10 1jkn s GLU 75 Cb 0.00 -0.48 -0.12 0.00 -0.44 0.00 0.00 34.13 33.09 1jkn s GLU 75 CO -0.08 -0.51 1.78 0.28 0.95 0.00 0.00 175.26 177.68 1jkn n VAL 76 N 5.35 0.32 0.61 1.83 0.31 -0.42 -4.86 118.33 121.47 1jkn n VAL 76 Ca -0.05 -0.06 0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1jkn n VAL 76 Cb 0.50 -1.92 0.38 0.00 -0.91 0.00 0.00 33.84 31.89 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 5.28 0.00 -4.64 5.55 -0.04 -1.26 -4.71 135.00 135.18 1jkn n PRO 77 Ca 0.19 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.60 1jkn n PRO 77 Cb 0.33 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.00 1.44 0.52 0.54 -0.85 -1.26 -4.82 117.35 109.91 1jkn s TYR 78 Ca 0.09 -0.44 -0.22 0.00 -0.52 0.00 0.00 57.07 55.98 1jkn s TYR 78 Cb 0.12 -1.01 -0.06 0.00 0.38 0.00 0.00 41.96 41.39 1jkn s TYR 78 CO 0.33 -0.19 1.25 -1.58 -1.52 0.00 0.00 175.55 173.83 1jkn s TRP 79 N 0.29 2.55 -0.24 -3.49 0.52 0.55 -4.48 118.94 114.64 1jkn s TRP 79 Ca -0.07 1.47 -0.03 0.00 0.02 0.00 0.00 56.10 57.49 1jkn s TRP 79 Cb -0.12 -3.56 0.01 0.00 -1.15 0.00 0.00 33.47 28.65 1jkn s TRP 79 CO 0.02 -2.18 -0.04 -0.51 0.02 0.00 0.00 176.95 174.26 1jkn s LEU 80 N -3.45 3.07 -0.11 2.99 1.43 0.23 0.87 118.68 123.71 1jkn s LEU 80 Ca 0.70 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1jkn s LEU 80 Cb -0.33 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1jkn s LEU 80 CO 0.39 -0.08 -0.14 0.42 0.23 0.00 0.00 176.35 177.17 1jkn s THR 81 N 1.41 2.98 0.29 5.49 -4.23 -1.26 -1.22 115.64 119.10 1jkn s THR 81 Ca 0.03 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 1jkn s THR 81 Cb -0.15 -2.23 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 1jkn s THR 81 CO -0.04 0.54 0.08 -0.72 -0.54 0.00 0.00 174.62 173.94 1jkn s TYR 82 N 0.11 1.75 0.19 3.99 1.13 -1.25 -4.73 117.35 118.53 1jkn s TYR 82 Ca -0.07 -1.08 0.08 0.00 -1.41 0.00 0.00 57.07 54.60 1jkn s TYR 82 Cb -0.15 -1.08 -0.04 0.00 -1.10 0.00 0.00 41.96 39.58 1jkn s TYR 82 CO 0.05 -0.17 -0.16 -0.51 -2.51 0.00 0.00 175.55 172.25 1jkn s ASP 83 N -3.40 2.62 0.17 -0.18 1.01 -1.26 -3.37 116.67 112.27 1jkn s ASP 83 Ca 0.37 -0.96 0.07 0.00 0.71 0.00 0.00 52.55 52.74 1jkn s ASP 83 Cb 0.08 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1jkn s ASP 83 CO 0.15 -0.12 0.03 -0.36 0.21 0.00 0.00 175.17 175.07 1jkn s PHE 84 N -2.62 2.90 1.18 4.23 0.08 -1.25 -4.91 117.98 117.59 1jkn s PHE 84 Ca 0.20 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 1jkn s PHE 84 Cb -0.03 -1.41 0.28 0.00 -0.57 0.00 0.00 43.02 41.30 1jkn s PHE 84 CO 0.07 0.52 1.03 -1.25 -0.10 0.00 0.00 175.22 175.49 1jkn s PRO 85 N -2.97 -1.01 0.45 0.24 0.04 -1.26 -4.36 135.00 126.14 1jkn s PRO 85 Ca 0.28 0.66 0.31 0.00 0.04 0.00 0.00 61.00 62.29 1jkn s PRO 85 Cb -0.09 -1.56 1.54 0.00 0.04 0.00 0.00 34.50 34.43 1jkn s PRO 85 CO 0.19 -3.73 1.94 -1.00 0.04 0.00 0.00 177.00 174.44 1jkn h PRO 86 N -2.62 0.00 0.04 0.56 0.13 -2.00 0.64 132.00 128.74 1jkn h PRO 86 Ca -0.59 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.21 1jkn h PRO 86 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.50 0.00 -1.93 1.63 -0.23 0.00 0.00 178.00 177.97 1jkn n LYS 87 N -2.65 0.68 -0.05 0.86 5.02 -1.26 -3.07 118.16 117.69 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 0.13 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 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 0.02 1.40 -0.51 -0.18 2.07 -1.75 -2.10 116.25 115.20 1jkn h VAL 88 Ca -0.38 -2.34 0.02 0.00 0.82 0.00 0.00 66.70 64.82 1jkn h VAL 88 Cb 2.04 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 34.74 1jkn h VAL 88 CO 0.07 0.57 0.31 -0.09 0.02 0.00 0.00 177.57 178.45 1jkn h ARG 89 N -0.78 0.61 0.00 1.57 1.12 0.07 0.60 114.38 117.57 1jkn h ARG 89 Ca -0.16 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.60 1jkn h ARG 89 Cb 1.31 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 31.12 1jkn h ARG 89 CO -0.02 0.41 -0.34 1.49 -3.11 0.00 0.00 179.97 178.40 1jkn h GLU 90 N 0.63 0.00 0.02 0.20 4.57 -1.68 -2.27 114.58 116.06 1jkn h GLU 90 Ca 0.20 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1jkn h GLU 90 Cb -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1jkn h GLU 90 CO -0.08 0.34 -0.32 -0.22 -1.18 0.00 0.00 179.01 177.55 1jkn h LYS 91 N 0.00 0.19 -0.43 1.92 3.11 -0.45 -3.31 116.57 117.60 1jkn h LYS 91 Ca -0.00 -0.23 0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1jkn h LYS 91 Cb 0.70 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.96 1jkn h LYS 91 CO 0.04 0.99 0.20 -0.07 -2.81 0.00 0.00 179.45 177.81 1jkn h LEU 92 N -0.51 0.29 -1.80 5.20 3.38 0.22 0.64 115.31 122.72 1jkn h LEU 92 Ca -0.05 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.33 1jkn h LEU 92 Cb 1.12 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1jkn h LEU 92 CO 0.06 0.21 0.92 0.78 0.09 0.00 0.00 178.44 180.50 1jkn h ASN 93 N 0.41 0.11 0.00 -0.43 2.35 -1.50 1.67 115.58 118.19 1jkn h ASN 93 Ca 0.19 0.03 -0.38 0.00 -0.55 0.00 0.00 56.30 55.59 1jkn h ASN 93 Cb 0.11 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1jkn h ASN 93 CO -0.14 -0.01 -2.11 -0.38 -1.65 0.00 0.00 177.43 173.14 1jkn n ILE 94 N -4.29 1.54 0.25 2.81 5.41 -0.39 -2.75 119.36 121.94 1jkn n ILE 94 Ca 0.31 -0.28 -0.14 0.00 1.00 0.00 0.00 62.75 63.64 1jkn n ILE 94 Cb 1.34 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 38.29 1jkn n ILE 94 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1jkn h GLN 95 N -0.93 -0.63 0.03 0.38 1.08 0.11 -3.29 115.11 111.87 1jkn h GLN 95 Ca -0.58 0.04 -0.23 0.00 -1.45 0.00 0.00 58.65 56.44 1jkn h GLN 95 Cb 1.54 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1jkn h GLN 95 CO -0.33 -0.32 -0.99 -1.49 -0.95 0.00 0.00 178.83 174.75 1jkn h TRP 96 N -0.98 0.45 -0.51 2.96 4.06 0.21 -3.48 115.95 118.65 1jkn h TRP 96 Ca -0.07 -0.27 -0.00 0.00 2.06 0.00 0.00 58.89 60.61 1jkn h TRP 96 Cb 0.59 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.01 1.11 -0.00 0.41 -3.56 0.00 0.00 178.44 176.41 1jkn n GLY 97 N 1.06 0.65 3.23 1.49 0.00 1.00 -4.98 105.19 107.64 1jkn n GLY 97 Ca -0.06 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 2.23 -0.63 1.61 0.01 -1.23 -4.98 113.70 107.71 1jkn s SER 98 Ca 0.00 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1jkn s SER 98 Cb -0.00 -0.15 0.39 0.00 0.21 0.00 0.00 66.02 66.48 1jkn s SER 98 CO 0.00 0.08 1.59 0.47 0.41 0.00 0.00 173.24 175.79 1jkn n ASP 99 N 1.56 6.21 -4.77 2.44 8.00 -1.26 -3.79 116.55 124.94 1jkn n ASP 99 Ca -0.18 -3.78 -0.30 0.00 0.71 0.00 0.00 54.79 51.23 1jkn n ASP 99 Cb 0.54 -0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.81 3.17 0.25 1.24 0.52 -1.26 -5.01 118.94 114.04 1jkn s TRP 100 Ca 0.51 0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.80 1jkn s TRP 100 Cb 0.43 -1.61 0.28 0.00 -1.15 0.00 0.00 33.47 31.41 1jkn s TRP 100 CO -0.26 0.52 1.57 0.87 0.02 0.00 0.00 176.95 179.66 1jkn h LYS 101 N 3.31 0.03 0.00 4.98 6.56 -1.56 -3.49 116.57 126.40 1jkn h LYS 101 Ca -0.47 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 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 0.65 0.68 0.00 0.41 -2.06 0.00 0.00 179.45 179.13 1jkn n GLY 102 N 0.37 2.50 3.38 3.86 0.00 -1.25 -3.96 105.19 110.10 1jkn n GLY 102 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 0.51 -0.49 1.61 -2.07 -1.22 -3.67 119.66 119.31 1jkn s GLN 103 Ca 0.00 1.18 -0.23 0.00 -1.82 0.00 0.00 55.36 54.49 1jkn s GLN 103 Cb 0.00 0.58 0.03 0.00 -1.09 0.00 0.00 33.01 32.53 1jkn s GLN 103 CO 0.00 -0.37 0.84 0.00 -1.32 0.00 0.00 175.29 174.44 1jkn s ALA 104 N 2.81 3.25 0.14 2.60 0.00 -1.13 -3.86 121.76 125.57 1jkn s ALA 104 Ca 0.04 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 51.00 1jkn s ALA 104 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1jkn s ALA 104 CO -0.18 -2.09 -0.26 1.14 0.00 0.00 0.00 175.76 174.37 1jkn s GLN 105 N 3.50 1.42 -0.56 0.00 -2.07 -0.36 -2.15 119.66 119.43 1jkn s GLN 105 Ca 0.30 -1.38 -0.08 0.00 -1.82 0.00 0.00 55.36 52.38 1jkn s GLN 105 Cb -0.13 -1.87 0.15 0.00 -1.09 0.00 0.00 33.01 30.07 1jkn s GLN 105 CO 0.21 0.44 0.42 0.15 -1.32 0.00 0.00 175.29 175.19 1jkn s LYS 106 N -2.18 2.63 0.34 9.60 1.02 -1.16 0.76 119.74 130.74 1jkn s LYS 106 Ca 0.15 -2.09 -0.29 0.00 0.02 0.00 0.00 55.97 53.77 1jkn s LYS 106 Cb -0.10 -3.92 -0.11 0.00 -0.52 0.00 0.00 37.83 33.19 1jkn s LYS 106 CO 0.07 -1.19 1.44 -1.58 -0.92 0.00 0.00 175.35 173.16 1jkn s TRP 107 N 0.77 2.79 -0.06 3.18 0.52 -1.26 -3.31 118.94 121.56 1jkn s TRP 107 Ca 0.11 1.19 0.04 0.00 0.02 0.00 0.00 56.10 57.45 1jkn s TRP 107 Cb -0.22 -3.90 0.00 0.00 -1.15 0.00 0.00 33.47 28.20 1jkn s TRP 107 CO -0.03 -2.67 -0.18 -0.06 0.02 0.00 0.00 176.95 174.03 1jkn s PHE 108 N -0.89 1.90 0.03 -1.98 0.40 0.50 -1.30 117.98 116.64 1jkn s PHE 108 Ca 0.53 -0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 55.90 1jkn s PHE 108 Cb -0.44 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1jkn s PHE 108 CO 0.56 -0.26 0.99 -1.17 0.70 0.00 0.00 175.22 176.04 1jkn s LEU 109 N 0.28 4.40 -0.08 -0.37 2.96 0.30 0.53 118.68 126.71 1jkn s LEU 109 Ca -0.11 1.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 1jkn s LEU 109 Cb -0.15 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1jkn s LEU 109 CO 0.04 -0.23 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.32 1jkn s PHE 110 N 0.76 1.87 -0.25 5.38 0.40 0.46 0.10 117.98 126.71 1jkn s PHE 110 Ca 0.51 -0.74 -0.17 0.00 -0.60 0.00 0.00 56.93 55.93 1jkn s PHE 110 Cb -0.22 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1jkn s PHE 110 CO 0.29 -0.34 0.46 0.21 0.70 0.00 0.00 175.22 176.53 1jkn s LYS 111 N 0.59 4.08 0.02 0.44 2.20 0.33 -0.56 119.74 126.84 1jkn s LYS 111 Ca -0.15 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1jkn s LYS 111 Cb -0.16 -3.63 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 1jkn s LYS 111 CO 0.05 -0.27 1.63 0.12 -0.36 0.00 0.00 175.35 176.52 1jkn s PHE 112 N 2.05 2.31 -0.25 4.03 5.36 -0.71 -2.14 117.98 128.62 1jkn s PHE 112 Ca 0.19 0.33 0.12 0.00 -0.96 0.00 0.00 56.93 56.61 1jkn s PHE 112 Cb -0.16 -3.91 0.46 0.00 -0.34 0.00 0.00 43.02 39.07 1jkn s PHE 112 CO 0.09 -3.70 1.18 0.25 -1.46 0.00 0.00 175.22 171.58 1jkn n THR 113 N 4.98 2.10 -0.96 0.12 -2.24 0.28 -4.75 114.28 113.81 1jkn n THR 113 Ca 0.16 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.32 1jkn n THR 113 Cb 0.42 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.70 5.53 3.26 3.38 0.00 -1.19 -4.77 105.19 110.69 1jkn n GLY 114 Ca 0.31 -1.10 -0.19 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 3.56 1.06 0.45 1.61 -0.21 -1.26 -5.00 119.66 119.88 1jkn s GLN 115 Ca 0.00 -1.25 0.15 0.00 0.02 0.00 0.00 55.36 54.28 1jkn s GLN 115 Cb 0.00 -1.01 0.82 0.00 1.00 0.00 0.00 33.01 33.82 1jkn s GLN 115 CO 0.00 0.20 1.38 -0.44 -2.12 0.00 0.00 175.29 174.31 1jkn h ASP 116 N 3.55 0.00 1.63 5.90 3.32 -2.02 0.80 116.42 129.60 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 -0.02 1.56 -1.72 0.00 0.00 179.24 179.55 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 1.08 -2.04 -3.05 115.11 114.65 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1jkn h GLN 117 Cb 0.84 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1jkn h GLN 117 CO 0.00 0.02 -0.46 1.49 -0.95 0.00 0.00 178.83 178.93 1jkn h GLU 118 N 0.00 0.00 -6.20 1.46 4.57 0.24 -3.42 114.58 111.23 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 0.84 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.39 1jkn h GLU 118 CO 0.00 0.46 1.23 0.42 -1.18 0.00 0.00 179.01 179.94 1jkn s ILE 119 N -3.15 3.55 -0.43 2.32 1.01 -1.16 -3.85 121.20 119.49 1jkn s ILE 119 Ca 0.03 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1jkn s ILE 119 Cb 0.08 -4.12 0.12 0.00 0.01 0.00 0.00 42.46 38.55 1jkn s ILE 119 CO 0.72 -0.97 0.17 0.21 0.00 0.00 0.00 174.94 175.07 1jkn s ASN 120 N 6.20 4.65 0.64 3.58 2.47 0.37 -4.95 114.94 127.91 1jkn s ASN 120 Ca 0.62 -2.53 0.32 0.00 0.42 0.00 0.00 52.86 51.69 1jkn s ASN 120 Cb -0.13 -1.66 1.73 0.00 -1.45 0.00 0.00 41.25 39.74 1jkn s ASN 120 CO 0.24 -0.33 2.02 -0.07 -3.72 0.00 0.00 177.10 175.23 1jkn h LEU 121 N 7.16 0.00 0.76 3.21 3.38 -1.78 -2.06 115.31 125.98 1jkn h LEU 121 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.61 0.00 -0.36 -0.07 0.09 0.00 0.00 178.44 178.71 1jkn h LEU 122 N 0.00 -0.86 0.00 1.67 3.38 -1.82 -3.24 115.31 114.45 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 0.61 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1jkn h LEU 122 CO -0.00 -0.51 0.00 0.61 0.09 0.00 0.00 178.44 178.63 1jkn n GLY 123 N -0.96 0.39 2.07 0.83 0.00 -0.78 -3.34 105.19 103.41 1jkn n GLY 123 Ca -0.13 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 6.64 -1.61 1.61 5.68 -1.12 -4.61 116.55 126.15 1jkn n ASP 124 Ca 0.00 -3.37 -0.16 0.00 -0.50 0.00 0.00 54.79 50.76 1jkn n ASP 124 Cb 0.00 -0.99 -0.02 0.00 -1.14 0.00 0.00 41.12 38.97 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkn n GLY 125 N -0.29 0.26 0.34 6.12 0.00 -1.26 -4.90 105.19 105.46 1jkn n GLY 125 Ca 0.45 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.84 0.97 -4.63 1.61 2.88 -1.26 -5.07 113.62 107.28 1jkn n SER 126 Ca -0.18 0.16 -0.24 0.00 -1.33 0.00 0.00 58.87 57.28 1jkn n SER 126 Cb 0.60 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1jkn s GLU 127 N -1.94 2.10 0.71 -1.46 1.03 -1.26 -5.11 118.70 112.77 1jkn s GLU 127 Ca -0.12 -1.67 -0.16 0.00 0.03 0.00 0.00 54.97 53.05 1jkn s GLU 127 Cb 0.02 -1.98 0.02 0.00 -0.80 0.00 0.00 34.13 31.39 1jkn s GLU 127 CO 0.17 0.20 1.21 0.36 -1.33 0.00 0.00 175.26 175.87 1jkn n LYS 128 N -0.93 0.72 -0.53 -4.83 -0.00 -1.26 -4.64 118.16 106.70 1jkn n LYS 128 Ca -0.05 0.31 -0.16 0.00 -0.00 0.00 0.00 58.31 58.41 1jkn n LYS 128 Cb 0.61 -2.45 0.14 0.00 -0.00 0.00 0.00 35.03 33.33 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 -2.34 -2.21 0.00 -1.58 -0.02 -1.21 -4.89 135.00 122.75 1jkn n PRO 129 Ca 0.15 -0.66 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1jkn n PRO 129 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1jkn n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkn n GLU 130 N -1.59 0.00 -4.23 -0.52 -0.58 -1.22 -5.00 120.64 107.49 1jkn n GLU 130 Ca 0.06 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.57 1jkn n GLU 130 Cb 0.31 -0.15 -0.06 0.00 -0.57 0.00 0.00 31.44 30.97 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 2.84 -0.01 -0.32 0.08 -1.26 -2.65 117.98 115.18 1jkn s PHE 131 Ca 0.00 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 56.94 1jkn s PHE 131 Cb 0.00 -1.27 -0.10 0.00 -0.57 0.00 0.00 43.02 41.07 1jkn s PHE 131 CO 0.00 0.58 0.14 0.41 -0.10 0.00 0.00 175.22 176.25 1jkn n GLY 132 N -0.93 -0.31 3.61 4.36 0.00 -1.05 -4.62 105.19 106.25 1jkn n GLY 132 Ca -0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.45 1.81 0.11 1.61 0.41 -1.26 -5.00 118.70 113.92 1jkn s GLU 133 Ca -0.03 -1.45 -0.24 0.00 -0.41 0.00 0.00 54.97 52.84 1jkn s GLU 133 Cb 0.04 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.96 1jkn s GLU 133 CO 0.28 -0.77 0.61 1.67 -0.49 0.00 0.00 175.26 176.56 1jkn s TRP 134 N -3.38 -0.55 0.14 1.61 1.48 -1.26 0.57 118.94 117.55 1jkn s TRP 134 Ca 0.23 0.50 -0.17 0.00 -1.06 0.00 0.00 56.10 55.61 1jkn s TRP 134 Cb -0.02 0.50 0.04 0.00 -1.16 0.00 0.00 33.47 32.83 1jkn s TRP 134 CO 0.13 -0.78 0.43 -1.54 -4.06 0.00 0.00 176.95 171.14 1jkn s SER 135 N -2.36 -0.27 -0.22 -2.66 1.04 0.12 -4.95 113.70 104.40 1jkn s SER 135 Ca -0.02 -0.30 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 1jkn s SER 135 Cb -0.01 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1jkn s SER 135 CO -0.07 -0.88 0.44 0.26 0.98 0.00 0.00 173.24 173.96 1jkn s TRP 136 N -3.81 3.34 0.05 5.02 0.52 -1.26 -1.66 118.94 121.14 1jkn s TRP 136 Ca 0.03 0.62 0.03 0.00 0.02 0.00 0.00 56.10 56.81 1jkn s TRP 136 Cb 0.01 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1jkn s TRP 136 CO -0.11 -0.11 -0.09 0.14 0.02 0.00 0.00 176.95 176.80 1jkn s VAL 137 N 1.65 0.67 0.79 4.03 -7.23 -1.16 -4.87 120.40 114.28 1jkn s VAL 137 Ca 0.20 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1jkn s VAL 137 Cb -0.15 -0.75 0.07 0.00 0.56 0.00 0.00 36.38 36.11 1jkn s VAL 137 CO 0.09 -0.37 1.09 0.42 -0.31 0.00 0.00 175.10 176.02 1jkn s THR 138 N -1.45 3.22 0.30 5.32 -4.23 -1.26 0.11 115.64 117.64 1jkn s THR 138 Ca -0.07 0.39 0.31 0.00 -1.18 0.00 0.00 61.69 61.14 1jkn s THR 138 Cb -0.09 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 71.18 1jkn s THR 138 CO 0.01 -0.52 1.92 1.55 -0.54 0.00 0.00 174.62 177.04 1jkn h PRO 139 N -1.20 0.00 0.04 3.99 0.13 -1.95 0.15 132.00 133.16 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 32.33 1jkn h PRO 139 CO 0.51 0.00 -1.92 0.39 -0.23 0.00 0.00 178.00 176.75 1jkn n GLU 140 N -2.64 0.68 -0.01 0.86 1.02 -1.26 -3.56 120.64 115.73 1jkn n GLU 140 Ca -0.02 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1jkn n GLU 140 Cb 0.14 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.04 -0.62 3.49 1.08 -1.23 -2.79 115.11 115.03 1jkn h GLN 141 Ca -0.38 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.04 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.45 1jkn h GLN 141 CO 0.07 0.53 0.44 1.25 -0.95 0.00 0.00 178.83 180.16 1jkn h LEU 142 N -0.64 0.10 -1.23 1.46 5.85 -1.02 1.03 115.31 120.86 1jkn h LEU 142 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1jkn h LEU 142 Cb 0.59 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1jkn h LEU 142 CO 0.01 0.05 -0.36 0.40 -0.34 0.00 0.00 178.44 178.19 1jkn h ILE 143 N 0.10 1.10 0.00 4.05 1.08 -1.58 0.34 117.51 122.60 1jkn h ILE 143 Ca 0.30 -1.31 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1jkn h ILE 143 Cb 1.04 1.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1jkn h ILE 143 CO -0.03 0.35 -0.15 -0.78 -0.69 0.00 0.00 178.15 176.86 1jkn h ASP 144 N 0.00 0.00 0.25 1.72 3.58 0.13 -3.26 116.42 118.84 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 1jkn h ASP 144 Cb 0.71 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.77 1jkn h ASP 144 CO 0.05 0.07 -1.69 -0.07 -2.88 0.00 0.00 179.24 174.72 1jkn h LEU 145 N 0.00 0.60-10.01 2.28 3.38 -0.49 -3.47 115.31 107.60 1jkn h LEU 145 Ca -0.00 -0.86 -0.49 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.06 -0.19 0.21 0.00 0.09 0.00 0.00 40.66 41.83 1jkn h LEU 145 CO 0.01 1.72 -0.25 0.41 0.09 0.00 0.00 178.44 180.42 1jkn n THR 146 N -3.58 0.00 -2.82 0.22 -1.04 0.04 -4.51 114.28 102.59 1jkn n THR 146 Ca -0.22 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.35 1jkn n THR 146 Cb 1.07 -0.84 0.02 0.00 -1.82 0.00 0.00 70.33 68.76 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 -2.46 3.82 0.40 12.58 0.11 -1.26 -4.84 120.40 128.75 1jkn s VAL 147 Ca 0.63 -0.40 0.12 0.00 -2.93 0.00 0.00 61.98 59.41 1jkn s VAL 147 Cb -0.21 -3.44 0.33 0.00 -1.53 0.00 0.00 36.38 31.53 1jkn s VAL 147 CO 0.63 -0.34 1.93 -0.33 -3.33 0.00 0.00 175.10 173.66 1jkn h GLU 148 N 0.24 0.51 -0.44 1.54 5.08 -1.95 0.20 114.58 119.77 1jkn h GLU 148 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1jkn h GLU 148 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1jkn h GLU 148 CO 0.58 0.34 0.00 1.97 -1.00 0.00 0.00 179.01 180.90 1jkn n PHE 149 N -4.49 0.59 -0.42 4.33 1.16 -1.26 -3.80 117.46 113.56 1jkn n PHE 149 Ca 0.13 -0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.44 1jkn n PHE 149 Cb 0.43 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 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 0.62 0.66 0.35 3.97 5.02 0.31 -4.59 118.16 124.50 1jkn n LYS 150 Ca 0.13 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 1jkn n LYS 150 Cb 0.38 -0.48 -0.07 0.00 -0.02 0.00 0.00 35.03 34.83 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 -0.90 -0.86 1.97 1.57 -0.84 -1.55 116.57 115.96 1jkn h LYS 151 Ca 0.00 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1jkn h LYS 151 Cb 0.21 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1jkn h LYS 151 CO 0.00 -0.60 0.55 -1.00 -0.57 0.00 0.00 179.45 177.83 1jkn h PRO 152 N -0.94 1.00 -0.02 3.15 0.13 -1.87 0.57 132.00 134.02 1jkn h PRO 152 Ca -0.09 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1jkn h PRO 152 Cb 0.73 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1jkn h PRO 152 CO 0.12 0.66 0.02 0.28 -0.23 0.00 0.00 178.00 178.85 1jkn h VAL 153 N 1.03 0.79 0.00 1.56 2.07 -1.86 -0.33 116.25 119.51 1jkn h VAL 153 Ca 0.36 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.65 1jkn h VAL 153 Cb 0.09 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1jkn h VAL 153 CO -0.14 0.00 -1.31 -1.22 0.02 0.00 0.00 177.57 174.92 1jkn n TYR 154 N -4.25 0.88 -0.24 1.57 4.02 -0.45 -3.79 117.16 114.91 1jkn n TYR 154 Ca -0.03 0.38 0.25 0.00 -0.01 0.00 0.00 57.90 58.50 1jkn n TYR 154 Cb 0.11 -1.04 0.62 0.00 -0.02 0.00 0.00 39.34 39.00 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 0.20 -0.27 -0.72 1.57 0.25 0.35 116.57 116.95 1jkn h LYS 155 Ca -0.34 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1jkn h LYS 155 Cb 1.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1jkn h LYS 155 CO -0.21 0.13 -0.00 1.49 -0.57 0.00 0.00 179.45 180.30 1jkn h GLU 156 N 0.21 0.47 -0.15 3.15 4.57 -1.22 0.34 114.58 121.95 1jkn h GLU 156 Ca 0.48 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1jkn h GLU 156 Cb 1.53 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1jkn h GLU 156 CO -0.12 0.64 0.06 0.28 -1.18 0.00 0.00 179.01 178.69 1jkn h VAL 157 N 0.26 0.97 -0.11 0.32 2.07 -0.48 -0.18 116.25 119.10 1jkn h VAL 157 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jkn h VAL 157 Cb 0.42 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jkn h VAL 157 CO 0.01 0.03 0.06 -0.07 0.02 0.00 0.00 177.57 177.62 1jkn h LEU 158 N 0.14 0.15 -0.65 2.57 3.38 -1.08 -0.89 115.31 118.93 1jkn h LEU 158 Ca 0.06 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.06 1jkn h LEU 158 Cb 0.03 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1jkn h LEU 158 CO -0.06 0.22 0.08 0.28 0.09 0.00 0.00 178.44 179.05 1jkn h SER 159 N 0.07 -0.14 0.68 -0.43 0.02 0.04 1.74 113.55 115.52 1jkn h SER 159 Ca 0.04 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jkn h SER 159 Cb 0.11 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jkn h SER 159 CO -0.01 -0.07 -0.25 0.58 -1.14 0.00 0.00 176.83 175.94 1jkn h VAL 160 N 0.18 0.72 -0.60 2.27 2.07 -0.78 -2.60 116.25 117.52 1jkn h VAL 160 Ca 0.35 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1jkn h VAL 160 Cb 0.57 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1jkn h VAL 160 CO -0.51 0.25 0.00 0.49 0.02 0.00 0.00 177.57 177.82 1jkn n PHE 161 N -3.58 0.99 0.18 1.57 3.72 0.18 -4.64 117.46 115.89 1jkn n PHE 161 Ca -0.01 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.69 1jkn n PHE 161 Cb 0.39 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 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 3.60 -0.82 -0.09 4.37 0.00 0.27 -0.76 119.26 125.83 1jkn h ALA 162 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jkn h ALA 162 Cb 1.07 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1jkn h ALA 162 CO 0.07 -1.02 0.23 -1.00 0.00 0.00 0.00 179.25 177.53 1jkn h PRO 163 N -0.74 0.00 0.00 0.00 0.13 -1.82 0.31 132.00 129.88 1jkn h PRO 163 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1jkn h PRO 163 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1jkn h PRO 163 CO -0.16 0.00 -0.78 0.72 -0.23 0.00 0.00 178.00 177.55 1jkn n HIS 164 N -3.25 0.48 0.53 1.56 8.25 -0.56 -5.23 115.22 117.01 1jkn n HIS 164 Ca -0.00 0.14 0.06 0.00 -0.26 0.00 0.00 57.72 57.66 1jkn n HIS 164 Cb 0.31 -0.60 0.05 0.00 1.12 0.00 0.00 29.99 30.87 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26