#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 1.15 -0.08 1.61 0.04 -1.26 -5.06 135.00 131.41 1jkn s PRO 2 Ca 0.00 0.86 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1jkn s PRO 2 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1jkn s PRO 2 CO 0.00 -2.33 -0.23 -1.17 0.04 0.00 0.00 177.00 173.32 1jkn s LEU 3 N -6.28 2.18 -1.44 -3.56 1.98 -1.26 -4.63 118.68 105.68 1jkn s LEU 3 Ca 0.64 -0.48 0.00 0.00 -2.89 0.00 0.00 54.13 51.39 1jkn s LEU 3 Cb -0.19 -1.42 0.00 0.00 0.66 0.00 0.00 46.19 45.25 1jkn s LEU 3 CO 0.57 0.22 0.00 0.61 -1.89 0.00 0.00 176.35 175.87 1jkn n GLY 4 N 3.11 1.11 3.40 7.98 0.00 -1.26 -4.94 105.19 114.58 1jkn n GLY 4 Ca -0.18 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.75 -0.31 0.00 1.61 1.04 -1.22 -4.65 113.70 107.42 1jkn s SER 5 Ca 0.00 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1jkn s SER 5 Cb 0.00 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1jkn s SER 5 CO 0.00 -0.07 0.00 0.23 0.98 0.00 0.00 173.24 174.38 1jkn n MET 6 N 4.35 0.85 -1.46 4.02 2.81 -0.96 -4.53 117.12 122.20 1jkn n MET 6 Ca -0.11 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.71 1jkn n MET 6 Cb 0.55 -0.63 -0.03 0.00 -0.71 0.00 0.00 33.22 32.40 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 -1.06 -3.63 0.00 7.83 8.00 -1.26 -4.87 116.55 121.55 1jkn n ASP 7 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1jkn n ASP 7 Cb 0.13 -2.10 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jkn n SER 8 N 0.71 0.00 -4.61 -2.24 3.41 -1.26 -4.87 113.62 104.76 1jkn n SER 8 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.10 1jkn n SER 8 Cb 0.33 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.40 3.44 0.54 4.33 0.04 -1.26 -4.84 135.00 136.86 1jkn s PRO 9 Ca 0.00 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 1jkn s PRO 9 Cb 0.00 -4.17 0.13 0.00 0.04 0.00 0.00 34.50 30.50 1jkn s PRO 9 CO 0.00 -1.73 0.58 -2.30 0.04 0.00 0.00 177.00 173.59 1jkn n PRO 10 N 8.27 -1.41 -3.21 0.56 -0.02 -1.26 -5.05 135.00 132.88 1jkn n PRO 10 Ca 0.22 -0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 60.50 1jkn n PRO 10 Cb 0.46 -0.73 -0.03 0.00 -0.02 0.00 0.00 33.50 33.17 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkn s GLU 11 N -4.29 3.70 0.00 -0.52 8.01 -1.26 -4.24 118.70 120.11 1jkn s GLU 11 Ca 0.35 0.18 0.00 0.00 0.01 0.00 0.00 54.97 55.51 1jkn s GLU 11 Cb -0.02 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.23 1jkn s GLU 11 CO 0.26 0.16 0.00 0.41 0.01 0.00 0.00 175.26 176.10 1jkn n GLY 12 N -0.92 2.55 3.79 -1.39 0.00 -1.26 -5.00 105.19 102.96 1jkn n GLY 12 Ca -0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.97 3.55 0.38 1.61 2.02 -1.26 -2.37 117.35 120.32 1jkn s TYR 13 Ca 0.00 0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 57.14 1jkn s TYR 13 Cb 0.00 -2.24 -0.10 0.00 -0.40 0.00 0.00 41.96 39.22 1jkn s TYR 13 CO 0.00 0.44 0.94 0.50 -1.57 0.00 0.00 175.55 175.86 1jkn s ARG 14 N -0.23 4.38 0.30 -0.62 6.06 -1.25 -4.60 118.95 123.00 1jkn s ARG 14 Ca 0.18 1.20 -0.29 0.00 -2.50 0.00 0.00 55.73 54.31 1jkn s ARG 14 Cb -0.14 -2.47 -0.10 0.00 0.06 0.00 0.00 34.95 32.30 1jkn s ARG 14 CO 0.06 0.12 1.40 1.03 -2.50 0.00 0.00 175.30 175.41 1jkn s ARG 15 N -2.66 4.27 0.02 5.12 0.52 -1.26 -2.67 118.95 122.30 1jkn s ARG 15 Ca 0.56 2.32 -0.18 0.00 -0.52 0.00 0.00 55.73 57.91 1jkn s ARG 15 Cb -0.13 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.30 1jkn s ARG 15 CO 0.18 -0.36 0.39 -0.80 0.02 0.00 0.00 175.30 174.73 1jkn s ASN 16 N -0.01 -0.27 -0.18 0.23 -0.87 -1.03 -1.75 114.94 111.07 1jkn s ASN 16 Ca 0.55 0.05 0.01 0.00 -1.57 0.00 0.00 52.86 51.89 1jkn s ASN 16 Cb -0.42 0.39 0.03 0.00 -0.02 0.00 0.00 41.25 41.23 1jkn s ASN 16 CO 0.50 -0.60 -0.16 0.68 -2.57 0.00 0.00 177.10 174.95 1jkn s VAL 17 N -2.10 1.82 0.22 1.60 -7.23 0.29 -2.23 120.40 112.79 1jkn s VAL 17 Ca -0.08 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 1jkn s VAL 17 Cb -0.02 -1.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 1jkn s VAL 17 CO 0.00 0.41 0.64 -0.83 -0.31 0.00 0.00 175.10 175.01 1jkn s GLY 18 N 1.36 2.44 -0.31 2.32 0.00 -1.19 -2.65 107.32 109.29 1jkn s GLY 18 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1jkn s GLY 18 CO -0.11 0.22 0.04 -0.42 0.00 0.00 0.00 173.10 172.83 1jkn s ILE 19 N -1.66 1.85 -0.64 0.90 1.09 -0.68 0.44 121.20 122.51 1jkn s ILE 19 Ca 0.45 -1.94 -0.22 0.00 -1.10 0.00 0.00 60.65 57.84 1jkn s ILE 19 Cb -0.14 -2.31 0.07 0.00 -1.06 0.00 0.00 42.46 39.02 1jkn s ILE 19 CO 0.20 -0.52 0.92 0.00 -0.10 0.00 0.00 174.94 175.44 1jkn s LEU 21 N 3.83 4.06 0.18 0.00 2.96 -1.26 0.17 118.68 128.62 1jkn s LEU 21 Ca 0.21 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 1jkn s LEU 21 Cb -0.18 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1jkn s LEU 21 CO 0.10 0.38 -0.17 0.00 -1.32 0.00 0.00 176.35 175.35 1jkn s MET 22 N -0.88 1.30 0.42 1.98 0.23 -0.18 0.81 119.30 122.98 1jkn s MET 22 Ca 0.14 -1.49 0.08 0.00 -1.03 0.00 0.00 55.69 53.39 1jkn s MET 22 Cb -0.12 -1.25 -0.01 0.00 -1.53 0.00 0.00 34.83 31.93 1jkn s MET 22 CO 0.03 0.23 0.47 0.54 -2.03 0.00 0.00 175.02 174.26 1jkn s ASN 23 N -2.95 5.35 0.56 -1.18 2.20 -0.82 -1.63 114.94 116.46 1jkn s ASN 23 Ca 0.19 -0.58 0.20 0.00 -0.94 0.00 0.00 52.86 51.73 1jkn s ASN 23 Cb -0.04 -0.63 1.11 0.00 -2.00 0.00 0.00 41.25 39.70 1jkn s ASN 23 CO 0.07 -0.69 1.59 -1.13 -2.94 0.00 0.00 177.10 174.00 1jkn h ASN 24 N 0.85 0.00 -0.02 3.54 -1.24 -1.92 0.84 115.58 117.64 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 0.52 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.13 1jkn n ASP 25 N -2.56 1.36 -0.45 1.15 8.00 -1.26 -4.91 116.55 117.87 1jkn n ASP 25 Ca -0.01 -1.46 -0.05 0.00 0.71 0.00 0.00 54.79 53.98 1jkn n ASP 25 Cb 0.45 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.07 -0.35 -2.89 -1.24 5.02 0.29 -5.04 118.16 114.02 1jkn n LYS 26 Ca 0.19 0.40 -0.19 0.00 -2.02 0.00 0.00 58.31 56.69 1jkn n LYS 26 Cb 0.33 -4.13 0.04 0.00 -0.02 0.00 0.00 35.03 31.24 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 -3.47 2.53 -0.19 1.97 -0.14 -1.24 -4.81 119.74 114.39 1jkn s LYS 27 Ca 0.00 -1.21 -0.04 0.00 -1.36 0.00 0.00 55.97 53.36 1jkn s LYS 27 Cb 0.00 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 1jkn s LYS 27 CO 0.00 -0.62 -0.03 0.42 -0.76 0.00 0.00 175.35 174.36 1jkn s ILE 28 N -2.59 3.75 -0.22 2.17 1.09 0.24 -1.95 121.20 123.69 1jkn s ILE 28 Ca 0.58 -0.39 -0.29 0.00 -1.10 0.00 0.00 60.65 59.45 1jkn s ILE 28 Cb -0.09 -2.68 -0.06 0.00 -1.06 0.00 0.00 42.46 38.57 1jkn s ILE 28 CO 0.37 0.45 2.21 0.33 -0.10 0.00 0.00 174.94 178.19 1jkn n PHE 29 N 4.15 1.95 -4.96 3.97 -0.00 0.24 -2.86 117.46 119.95 1jkn n PHE 29 Ca -0.17 -0.09 -0.33 0.00 -0.00 0.00 0.00 57.45 56.86 1jkn n PHE 29 Cb 0.52 -2.71 -0.15 0.00 -0.00 0.00 0.00 39.48 37.14 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 7.98 2.43 -0.08 3.13 0.00 -0.27 -4.63 121.76 130.33 1jkn s ALA 30 Ca 1.01 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1jkn s ALA 30 Cb -0.41 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1jkn s ALA 30 CO 0.37 0.26 -0.16 0.00 0.00 0.00 0.00 175.76 176.23 1jkn s ALA 31 N 0.36 2.56 0.48 0.00 0.00 0.06 0.62 121.76 125.83 1jkn s ALA 31 Ca -0.14 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1jkn s ALA 31 Cb -0.17 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.89 1jkn s ALA 31 CO 0.07 0.44 0.90 -1.54 0.00 0.00 0.00 175.76 175.63 1jkn s SER 32 N -0.30 6.57 0.73 0.00 1.04 0.19 -0.46 113.70 121.47 1jkn s SER 32 Ca 0.02 1.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.73 1jkn s SER 32 Cb -0.13 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.59 1jkn s SER 32 CO 0.03 -0.53 1.09 -0.13 0.98 0.00 0.00 173.24 174.68 1jkn s ARG 33 N -4.04 2.53 0.00 4.02 0.52 0.44 -1.75 118.95 120.67 1jkn s ARG 33 Ca 0.56 1.19 0.25 0.00 -0.52 0.00 0.00 55.73 57.22 1jkn s ARG 33 Cb -0.10 -1.93 0.58 0.00 0.52 0.00 0.00 34.95 34.02 1jkn s ARG 33 CO 0.32 -1.43 1.45 1.28 0.02 0.00 0.00 175.30 176.94 1jkn n LEU 34 N -3.13 1.09 0.00 2.53 4.77 -0.76 -4.06 117.00 117.44 1jkn n LEU 34 Ca 0.09 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1jkn n LEU 34 Cb 0.53 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1jkn n LEU 34 CO 0.52 0.21 -0.17 0.47 -1.33 0.00 0.00 177.39 177.09 1jkn n ASP 35 N -0.72 1.71 -4.10 -1.43 8.00 -1.26 -4.96 116.55 113.78 1jkn n ASP 35 Ca 0.10 -0.06 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 1jkn n ASP 35 Cb 0.36 0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.80 2.29 0.18 0.53 1.01 -1.26 -5.09 121.20 118.05 1jkn s ILE 36 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 60.65 58.88 1jkn s ILE 36 Cb 0.00 -2.27 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 1jkn s ILE 36 CO 0.00 0.07 1.51 -2.16 0.00 0.00 0.00 174.94 174.35 1jkn s PRO 37 N 1.16 4.24 0.00 2.79 0.04 -1.26 -1.90 135.00 140.07 1jkn s PRO 37 Ca -0.06 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1jkn s PRO 37 Cb -0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.06 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.98 1jkn n ASP 38 N 3.51 -0.90 -4.45 6.66 2.03 -1.26 -4.97 116.55 117.18 1jkn n ASP 38 Ca 0.12 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.99 1jkn n ASP 38 Cb 0.39 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 40.33 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jkn s ALA 39 N -3.18 3.20 0.21 -1.67 0.00 -0.80 -4.97 121.76 114.55 1jkn s ALA 39 Ca 0.00 -2.13 0.06 0.00 0.00 0.00 0.00 51.96 49.89 1jkn s ALA 39 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1jkn s ALA 39 CO 0.00 -2.81 0.20 -1.58 0.00 0.00 0.00 175.76 171.58 1jkn s TRP 40 N 3.59 3.19 0.14 0.00 0.52 -1.26 0.17 118.94 125.29 1jkn s TRP 40 Ca 0.24 -0.05 -0.25 0.00 0.02 0.00 0.00 56.10 56.06 1jkn s TRP 40 Cb -0.14 -1.48 0.08 0.00 -1.15 0.00 0.00 33.47 30.78 1jkn s TRP 40 CO 0.04 0.51 1.05 1.14 0.02 0.00 0.00 176.95 179.71 1jkn s GLN 41 N -3.56 1.10 0.19 4.98 0.00 0.39 -4.48 119.66 118.28 1jkn s GLN 41 Ca 0.32 -0.66 0.04 0.00 -0.00 0.00 0.00 55.36 55.07 1jkn s GLN 41 Cb -0.09 0.34 -0.03 0.00 0.00 0.00 0.00 33.01 33.23 1jkn s GLN 41 CO 0.25 -0.51 0.25 -1.64 0.00 0.00 0.00 175.29 173.64 1jkn s MET 42 N -2.68 3.23 0.17 9.60 -1.94 -1.26 -0.76 119.30 125.66 1jkn s MET 42 Ca 0.17 -0.77 -0.31 0.00 -1.71 0.00 0.00 55.69 53.07 1jkn s MET 42 Cb -0.01 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.93 1jkn s MET 42 CO 0.02 0.47 1.45 -1.25 -0.01 0.00 0.00 175.02 175.71 1jkn s PRO 43 N -3.47 4.28 0.09 2.03 0.04 -1.26 -4.95 135.00 131.77 1jkn s PRO 43 Ca 0.33 2.22 -0.18 0.00 0.04 0.00 0.00 61.00 63.42 1jkn s PRO 43 Cb -0.10 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1jkn s PRO 43 CO 0.27 -0.47 0.43 1.14 0.04 0.00 0.00 177.00 178.41 1jkn s GLN 44 N 0.60 1.03 0.22 4.56 1.03 -1.26 -1.69 119.66 124.16 1jkn s GLN 44 Ca 0.64 -0.53 -0.21 0.00 0.04 0.00 0.00 55.36 55.30 1jkn s GLN 44 Cb -0.40 0.46 0.04 0.00 0.03 0.00 0.00 33.01 33.14 1jkn s GLN 44 CO 0.35 -0.39 0.65 0.20 -2.54 0.00 0.00 175.29 173.56 1jkn s GLY 45 N -2.45 -0.29 0.02 2.60 0.00 -1.08 -4.89 107.32 101.23 1jkn s GLY 45 Ca -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 1jkn s GLY 45 CO -0.08 -0.02 0.99 -0.32 0.00 0.00 0.00 173.10 173.67 1jkn s GLY 46 N -2.85 2.91 0.92 0.20 0.00 -1.26 0.11 107.32 107.35 1jkn s GLY 46 Ca 0.07 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.25 1jkn s GLY 46 CO -0.02 1.66 1.09 1.39 0.00 0.00 0.00 173.10 177.23 1jkn n ILE 47 N 3.69 0.00 -3.39 0.90 5.41 -0.72 -4.81 119.36 120.45 1jkn n ILE 47 Ca 0.05 -0.02 -0.33 0.00 1.00 0.00 0.00 62.75 63.46 1jkn n ILE 47 Cb 0.50 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.41 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 -2.59 6.70 -0.80 4.38 1.11 -1.26 -4.89 116.67 119.32 1jkn s ASP 48 Ca 0.66 0.99 -0.29 0.00 0.18 0.00 0.00 52.55 54.09 1jkn s ASP 48 Cb -0.23 -2.25 -0.16 0.00 1.07 0.00 0.00 42.92 41.35 1jkn s ASP 48 CO 0.59 -0.01 2.58 -1.84 1.18 0.00 0.00 175.17 177.66 1jkn n GLU 49 N 0.22 0.42 -2.54 8.23 0.28 -1.26 0.58 120.64 126.56 1jkn n GLU 49 Ca -0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 56.95 1jkn n GLU 49 Cb 0.52 -2.29 0.01 0.00 1.43 0.00 0.00 31.44 31.11 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jkn n GLY 50 N 6.29 0.73 3.60 -1.84 0.00 -1.26 -5.06 105.19 107.65 1jkn n GLY 50 Ca 0.54 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.98 2.39 0.04 1.61 2.56 0.20 -5.10 118.70 115.42 1jkn s GLU 51 Ca 0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 54.97 53.86 1jkn s GLU 51 Cb -0.02 -2.43 -0.05 0.00 2.00 0.00 0.00 34.13 33.62 1jkn s GLU 51 CO 0.08 0.56 1.21 -0.51 -0.56 0.00 0.00 175.26 176.03 1jkn s ASP 52 N -1.84 7.06 0.62 -1.70 1.11 -1.26 -4.73 116.67 115.92 1jkn s ASP 52 Ca 0.20 1.98 0.29 0.00 0.18 0.00 0.00 52.55 55.20 1jkn s ASP 52 Cb -0.11 -2.57 1.52 0.00 1.07 0.00 0.00 42.92 42.83 1jkn s ASP 52 CO 0.11 -0.50 1.90 -0.65 1.18 0.00 0.00 175.17 177.22 1jkn h PRO 53 N 6.97 0.00 0.00 8.23 0.11 -1.98 0.51 132.00 145.85 1jkn h PRO 53 Ca -0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1jkn h PRO 53 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jkn h PRO 53 CO 0.83 0.00 -0.72 -0.09 -0.21 0.00 0.00 178.00 177.80 1jkn h ARG 54 N 0.00 0.00 0.08 1.05 9.65 -1.93 -3.07 114.38 120.16 1jkn h ARG 54 Ca 0.12 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.67 1jkn h ARG 54 Cb 0.95 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.51 1jkn h ARG 54 CO -0.00 0.15 -1.82 0.09 2.80 0.00 0.00 179.97 181.18 1jkn n ASN 55 N -2.93 2.03 0.12 -3.80 3.02 0.15 -3.06 115.26 110.79 1jkn n ASN 55 Ca -0.00 0.26 0.04 0.00 -0.03 0.00 0.00 54.58 54.84 1jkn n ASN 55 Cb 0.63 -0.87 0.44 0.00 -0.61 0.00 0.00 39.78 39.37 1jkn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkn h ALA 56 N -0.15 1.63 0.12 5.41 0.00 -0.92 -0.61 119.26 124.75 1jkn h ALA 56 Ca -0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1jkn h ALA 56 Cb 1.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jkn h ALA 56 CO -0.03 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.43 1jkn h ALA 57 N 1.73 -0.16 -0.27 0.00 0.00 -1.68 0.92 119.26 119.79 1jkn h ALA 57 Ca 0.06 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1jkn h ALA 57 Cb 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jkn h ALA 57 CO 0.01 -0.29 0.23 0.82 0.00 0.00 0.00 179.25 180.02 1jkn h ILE 58 N -0.75 0.65 0.00 0.00 2.04 -1.43 0.49 117.51 118.51 1jkn h ILE 58 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1jkn h ILE 58 Cb 0.55 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1jkn h ILE 58 CO 0.03 0.00 -0.52 -0.09 0.00 0.00 0.00 178.15 177.57 1jkn h ARG 59 N 0.00 0.00 -0.65 2.37 2.43 -1.02 -3.35 114.38 114.15 1jkn h ARG 59 Ca 0.13 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1jkn h ARG 59 Cb 0.60 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1jkn h ARG 59 CO -0.00 0.72 0.43 0.93 -1.51 0.00 0.00 179.97 180.54 1jkn h GLU 60 N -1.00 0.46 0.67 0.20 3.07 0.15 -2.77 114.58 115.36 1jkn h GLU 60 Ca -0.13 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 1jkn h GLU 60 Cb 0.90 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1jkn h GLU 60 CO -0.08 0.30 -0.46 1.25 -1.40 0.00 0.00 179.01 178.63 1jkn h LEU 61 N 0.47 -1.17 -0.53 1.33 5.85 -0.18 0.57 115.31 121.65 1jkn h LEU 61 Ca 0.30 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1jkn h LEU 61 Cb 0.55 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1jkn h LEU 61 CO -0.09 -0.68 0.00 -2.11 -0.34 0.00 0.00 178.44 175.22 1jkn n ARG 62 N -5.58 0.06 -0.05 1.25 1.85 -1.07 0.11 116.66 113.23 1jkn n ARG 62 Ca -0.13 0.53 -0.22 0.00 -1.00 0.00 0.00 57.85 57.03 1jkn n ARG 62 Cb 0.46 -1.67 -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 -1.79 0.68 0.02 2.89 1.02 -0.23 0.29 120.64 123.53 1jkn n GLU 63 Ca -0.00 0.34 -0.01 0.00 -0.02 0.00 0.00 57.16 57.48 1jkn n GLU 63 Cb 0.03 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.79 0.63 -0.00 3.49 -0.58 0.18 -3.64 120.64 116.93 1jkn n GLU 64 Ca -0.35 0.19 0.01 0.00 -0.42 0.00 0.00 57.16 56.59 1jkn n GLU 64 Cb 0.93 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 30.00 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 -2.85 0.03 -0.93 2.62 -2.24 0.30 -4.63 114.28 106.57 1jkn n THR 65 Ca -0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jkn n THR 65 Cb 0.86 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 2.46 0.59 3.69 3.38 0.00 -0.52 0.18 105.19 114.96 1jkn n GLY 66 Ca -0.01 0.00 -0.42 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 -2.59 4.15 -0.22 1.61 1.01 -1.24 -3.80 120.40 119.31 1jkn s VAL 67 Ca 0.00 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1jkn s VAL 67 Cb 0.00 -3.95 -0.19 0.00 0.00 0.00 0.00 36.38 32.24 1jkn s VAL 67 CO 0.00 -0.01 -0.09 0.35 0.00 0.00 0.00 175.10 175.35 1jkn n THR 68 N 4.66 1.34 -2.92 3.92 -2.24 -1.26 -3.63 114.28 114.15 1jkn n THR 68 Ca 0.12 -0.64 -0.44 0.00 -2.27 0.00 0.00 64.05 60.81 1jkn n THR 68 Cb 0.46 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 5.24 -3.71 3.42 7.64 -1.26 -4.91 113.62 117.05 1jkn n SER 69 Ca -0.37 -3.00 -0.11 0.00 1.01 0.00 0.00 58.87 56.40 1jkn n SER 69 Cb 1.02 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.28 -0.82 0.09 -0.43 0.00 -1.26 0.82 121.76 121.43 1jkn s ALA 70 Ca 0.42 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb -0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO -0.00 -0.25 -0.25 -1.21 0.00 0.00 0.00 175.76 174.05 1jkn s GLU 71 N 1.39 1.65 0.01 0.00 0.41 -0.92 -4.89 118.70 116.34 1jkn s GLU 71 Ca -0.09 -1.21 -0.30 0.00 -0.41 0.00 0.00 54.97 52.95 1jkn s GLU 71 Cb -0.09 -1.98 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1jkn s GLU 71 CO -0.11 0.48 1.09 0.08 -0.49 0.00 0.00 175.26 176.32 1jkn s VAL 72 N -0.97 4.47 -0.10 2.63 1.01 -1.25 0.13 120.40 126.32 1jkn s VAL 72 Ca 0.14 1.77 0.13 0.00 0.00 0.00 0.00 61.98 64.02 1jkn s VAL 72 Cb -0.10 -4.13 -0.19 0.00 0.00 0.00 0.00 36.38 31.95 1jkn s VAL 72 CO 0.05 0.11 0.32 -0.38 0.00 0.00 0.00 175.10 175.19 1jkn n ILE 73 N 4.07 0.00 -3.54 2.22 2.08 0.30 -4.87 119.36 119.62 1jkn n ILE 73 Ca 0.08 -0.28 -0.11 0.00 0.56 0.00 0.00 62.75 63.00 1jkn n ILE 73 Cb 0.48 0.31 -0.02 0.00 -0.75 0.00 0.00 39.64 39.66 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 -2.80 -1.44 -0.16 -1.39 0.00 -1.13 -4.95 121.76 109.89 1jkn s ALA 74 Ca -0.03 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 1jkn s ALA 74 Cb 0.08 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1jkn s ALA 74 CO 0.53 -0.82 0.32 -1.83 0.00 0.00 0.00 175.76 173.97 1jkn s GLU 75 N -3.79 0.22 0.09 0.00 -1.05 -1.26 0.12 118.70 113.03 1jkn s GLU 75 Ca 0.04 0.80 -0.32 0.00 -0.15 0.00 0.00 54.97 55.33 1jkn s GLU 75 Cb -0.02 -0.00 -0.12 0.00 -0.44 0.00 0.00 34.13 33.55 1jkn s GLU 75 CO -0.08 -0.32 1.79 0.28 0.95 0.00 0.00 175.26 177.88 1jkn n VAL 76 N 5.36 0.33 0.32 1.83 0.31 -0.62 -4.85 118.33 121.00 1jkn n VAL 76 Ca -0.07 -0.06 0.21 0.00 -0.01 0.00 0.00 64.34 64.41 1jkn n VAL 76 Cb 0.50 -1.96 1.05 0.00 -0.91 0.00 0.00 33.84 32.51 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 8.13 0.00 0.00 5.55 0.13 -1.99 -3.45 132.00 140.38 1jkn h PRO 77 Ca -0.46 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 1jkn h PRO 77 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 1jkn h PRO 77 CO 0.94 0.00 -0.34 2.48 -0.23 0.00 0.00 178.00 180.85 1jkn n TYR 78 N -3.05 0.64 -4.24 1.56 0.18 -1.26 -4.74 117.16 106.26 1jkn n TYR 78 Ca -0.02 -1.78 -0.31 0.00 1.88 0.00 0.00 57.90 57.66 1jkn n TYR 78 Cb 0.14 -0.18 -0.09 0.00 -0.38 0.00 0.00 39.34 38.83 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 -2.37 3.01 -0.24 -3.48 0.52 -1.26 -4.60 118.94 110.51 1jkn s TRP 79 Ca 0.04 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.13 1jkn s TRP 79 Cb 0.00 -1.60 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 1jkn s TRP 79 CO 0.03 0.46 -0.03 -0.51 0.02 0.00 0.00 176.95 176.92 1jkn s LEU 80 N -1.89 3.14 -0.10 2.99 1.43 0.22 -2.26 118.68 122.21 1jkn s LEU 80 Ca 0.22 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1jkn s LEU 80 Cb -0.12 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1jkn s LEU 80 CO 0.14 -0.08 -0.03 0.42 0.23 0.00 0.00 176.35 177.02 1jkn s THR 81 N 1.44 4.00 0.31 5.49 -4.23 -1.26 -1.17 115.64 120.21 1jkn s THR 81 Ca 0.04 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1jkn s THR 81 Cb -0.15 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 1jkn s THR 81 CO -0.03 0.57 0.07 -0.72 -0.54 0.00 0.00 174.62 173.97 1jkn s TYR 82 N -0.45 1.84 0.15 3.99 1.13 -1.17 -4.48 117.35 118.36 1jkn s TYR 82 Ca 0.07 -1.03 0.05 0.00 -1.41 0.00 0.00 57.07 54.76 1jkn s TYR 82 Cb -0.12 -1.17 -0.04 0.00 -1.10 0.00 0.00 41.96 39.53 1jkn s TYR 82 CO 0.02 -0.10 -0.12 -0.51 -2.51 0.00 0.00 175.55 172.33 1jkn s ASP 83 N -3.44 1.99 0.13 -0.18 1.01 -1.26 -2.78 116.67 112.13 1jkn s ASP 83 Ca 0.37 -0.94 0.09 0.00 0.71 0.00 0.00 52.55 52.78 1jkn s ASP 83 Cb 0.08 -0.05 -0.04 0.00 1.01 0.00 0.00 42.92 43.92 1jkn s ASP 83 CO 0.15 -0.24 -0.17 -0.36 0.21 0.00 0.00 175.17 174.76 1jkn s PHE 84 N -2.83 2.54 1.20 4.23 0.08 -1.25 -4.86 117.98 117.08 1jkn s PHE 84 Ca 0.15 -0.26 -0.15 0.00 0.12 0.00 0.00 56.93 56.79 1jkn s PHE 84 Cb -0.01 -1.33 0.29 0.00 -0.57 0.00 0.00 43.02 41.40 1jkn s PHE 84 CO 0.02 0.41 1.02 -1.25 -0.10 0.00 0.00 175.22 175.32 1jkn s PRO 85 N -2.24 -1.20 0.48 0.24 0.04 -1.26 -4.36 135.00 126.70 1jkn s PRO 85 Ca 0.19 0.58 0.33 0.00 0.04 0.00 0.00 61.00 62.13 1jkn s PRO 85 Cb -0.10 -1.54 1.61 0.00 0.04 0.00 0.00 34.50 34.50 1jkn s PRO 85 CO 0.11 -3.84 1.99 -1.00 0.04 0.00 0.00 177.00 174.29 1jkn h PRO 86 N -2.70 0.00 0.05 0.56 0.13 -2.00 0.64 132.00 128.68 1jkn h PRO 86 Ca -0.57 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.23 1jkn h PRO 86 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.47 0.00 -1.91 1.17 -0.23 0.00 0.00 178.00 177.50 1jkn n LYS 87 N -2.73 0.69 -0.04 0.86 4.81 -1.26 -3.03 118.16 117.45 1jkn n LYS 87 Ca -0.01 0.25 -0.18 0.00 -0.87 0.00 0.00 58.31 57.51 1jkn n LYS 87 Cb 0.15 -1.73 -0.13 0.00 0.02 0.00 0.00 35.03 33.34 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jkn h VAL 88 N 0.03 1.48 -0.47 3.15 2.07 -1.78 -2.07 116.25 118.66 1jkn h VAL 88 Ca -0.37 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 64.81 1jkn h VAL 88 Cb 2.03 3.05 -0.03 0.00 -1.52 0.00 0.00 31.29 34.82 1jkn h VAL 88 CO 0.07 0.59 0.27 -0.09 0.02 0.00 0.00 177.57 178.43 1jkn h ARG 89 N -0.78 0.53 0.00 1.57 2.43 0.08 0.67 114.38 118.88 1jkn h ARG 89 Ca -0.13 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1jkn h ARG 89 Cb 1.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1jkn h ARG 89 CO -0.00 0.35 -0.32 1.49 -1.51 0.00 0.00 179.97 179.98 1jkn h GLU 90 N 0.55 0.00 0.02 0.20 4.81 -1.67 -2.09 114.58 116.40 1jkn h GLU 90 Ca 0.19 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1jkn h GLU 90 Cb 0.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jkn h GLU 90 CO -0.09 0.32 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.95 1jkn h LYS 91 N 0.00 0.19 -0.38 1.92 3.11 -0.42 -3.31 116.57 117.68 1jkn h LYS 91 Ca -0.00 -0.24 0.03 0.00 -2.81 0.00 0.00 60.65 57.63 1jkn h LYS 91 Cb 0.66 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 1jkn h LYS 91 CO 0.04 1.01 0.20 -0.07 -2.81 0.00 0.00 179.45 177.82 1jkn h LEU 92 N -0.52 0.30 -1.81 5.20 3.38 0.37 0.56 115.31 122.80 1jkn h LEU 92 Ca -0.05 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.32 1jkn h LEU 92 Cb 1.15 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1jkn h LEU 92 CO 0.07 0.22 0.93 0.78 0.09 0.00 0.00 178.44 180.53 1jkn h ASN 93 N 0.41 0.11 0.01 -0.43 2.35 -1.47 1.56 115.58 118.11 1jkn h ASN 93 Ca 0.16 0.03 -0.38 0.00 -0.55 0.00 0.00 56.30 55.56 1jkn h ASN 93 Cb 0.05 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1jkn h ASN 93 CO -0.10 -0.01 -2.12 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.28 1.54 0.22 2.81 5.41 -0.49 -2.77 119.36 121.80 1jkn n ILE 94 Ca 0.31 -0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1jkn n ILE 94 Cb 1.36 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 38.33 1jkn n ILE 94 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jkn h GLN 95 N -0.88 -0.56 0.05 0.38 4.15 0.99 -3.30 115.11 115.95 1jkn h GLN 95 Ca -0.57 0.04 -0.23 0.00 0.77 0.00 0.00 58.65 58.65 1jkn h GLN 95 Cb 1.56 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.37 1jkn h GLN 95 CO -0.31 -0.25 -1.04 -1.49 -1.93 0.00 0.00 178.83 173.80 1jkn h TRP 96 N -0.95 0.33 -0.72 3.99 4.06 0.18 -3.48 115.95 119.36 1jkn h TRP 96 Ca -0.06 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.65 1jkn h TRP 96 Cb 0.57 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.02 1.11 -0.03 0.41 -3.56 0.00 0.00 178.44 176.38 1jkn n GLY 97 N 1.22 0.62 3.30 1.49 0.00 0.99 -4.98 105.19 107.82 1jkn n GLY 97 Ca -0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -2.99 2.71 -0.48 1.61 0.01 -1.24 -4.98 113.70 108.35 1jkn s SER 98 Ca 0.02 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1jkn s SER 98 Cb -0.01 -0.20 0.46 0.00 0.21 0.00 0.00 66.02 66.49 1jkn s SER 98 CO 0.02 0.14 1.63 -0.67 0.41 0.00 0.00 173.24 174.77 1jkn n ASP 99 N 1.43 6.14 -4.89 2.44 2.03 -1.26 -3.80 116.55 118.64 1jkn n ASP 99 Ca -0.18 -3.77 -0.33 0.00 0.52 0.00 0.00 54.79 51.03 1jkn n ASP 99 Cb 0.53 -0.67 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1jkn s TRP 100 N -3.69 3.54 0.26 -0.67 0.52 -1.26 -5.00 118.94 112.65 1jkn s TRP 100 Ca 0.58 0.57 0.12 0.00 0.02 0.00 0.00 56.10 57.38 1jkn s TRP 100 Cb 0.46 -2.00 0.42 0.00 -1.15 0.00 0.00 33.47 31.21 1jkn s TRP 100 CO 0.01 0.54 1.64 0.87 0.02 0.00 0.00 176.95 180.04 1jkn h LYS 101 N 3.51 0.00 0.00 4.98 6.56 -1.86 -3.48 116.57 126.28 1jkn h LYS 101 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1jkn h LYS 101 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1jkn h LYS 101 CO 0.69 0.57 0.00 0.41 -2.06 0.00 0.00 179.45 179.06 1jkn n GLY 102 N 0.20 3.14 3.31 3.86 0.00 -1.26 -3.94 105.19 110.50 1jkn n GLY 102 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 4.94 0.50 -0.39 1.61 -0.21 -1.12 -3.77 119.66 121.22 1jkn s GLN 103 Ca 0.00 1.10 -0.17 0.00 0.02 0.00 0.00 55.36 56.32 1jkn s GLN 103 Cb 0.00 0.49 0.01 0.00 1.00 0.00 0.00 33.01 34.51 1jkn s GLN 103 CO 0.00 -0.42 0.43 0.00 -2.12 0.00 0.00 175.29 173.19 1jkn s ALA 104 N 2.79 3.45 0.19 6.09 0.00 -1.09 -3.05 121.76 130.14 1jkn s ALA 104 Ca 0.07 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.75 1jkn s ALA 104 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1jkn s ALA 104 CO -0.18 -1.41 -0.14 1.14 0.00 0.00 0.00 175.76 175.17 1jkn s GLN 105 N 2.16 1.28 -0.51 0.00 -2.07 -0.32 -2.46 119.66 117.75 1jkn s GLN 105 Ca 0.13 -1.55 -0.03 0.00 -1.82 0.00 0.00 55.36 52.09 1jkn s GLN 105 Cb -0.17 -1.05 0.13 0.00 -1.09 0.00 0.00 33.01 30.83 1jkn s GLN 105 CO 0.13 0.17 0.31 0.21 -1.32 0.00 0.00 175.29 174.80 1jkn s LYS 106 N -3.60 2.27 0.39 9.60 2.47 -0.94 0.72 119.74 130.64 1jkn s LYS 106 Ca 0.21 -2.12 -0.27 0.00 -1.56 0.00 0.00 55.97 52.23 1jkn s LYS 106 Cb -0.01 -3.67 -0.09 0.00 -1.46 0.00 0.00 37.83 32.60 1jkn s LYS 106 CO 0.06 -1.12 1.35 -1.58 0.16 0.00 0.00 175.35 174.22 1jkn s TRP 107 N 0.63 2.79 -0.06 4.03 0.52 -1.26 -3.16 118.94 122.44 1jkn s TRP 107 Ca 0.12 1.35 0.04 0.00 0.02 0.00 0.00 56.10 57.63 1jkn s TRP 107 Cb -0.22 -3.76 -0.00 0.00 -1.15 0.00 0.00 33.47 28.34 1jkn s TRP 107 CO -0.04 -2.29 -0.18 -0.06 0.02 0.00 0.00 176.95 174.40 1jkn s PHE 108 N -1.20 1.90 0.04 -1.98 0.40 0.17 -1.60 117.98 115.72 1jkn s PHE 108 Ca 0.55 -0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 1jkn s PHE 108 Cb -0.41 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1jkn s PHE 108 CO 0.53 -0.23 0.99 -1.17 0.70 0.00 0.00 175.22 176.04 1jkn s LEU 109 N 0.16 4.41 -0.08 -0.37 2.96 0.33 0.98 118.68 127.08 1jkn s LEU 109 Ca -0.08 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1jkn s LEU 109 Cb -0.14 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1jkn s LEU 109 CO 0.04 -0.22 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.35 1jkn s PHE 110 N 0.71 1.68 -0.25 5.38 0.40 0.44 0.11 117.98 126.45 1jkn s PHE 110 Ca 0.51 -0.66 -0.17 0.00 -0.60 0.00 0.00 56.93 56.01 1jkn s PHE 110 Cb -0.22 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 1jkn s PHE 110 CO 0.29 -0.32 0.47 0.21 0.70 0.00 0.00 175.22 176.56 1jkn s LYS 111 N 0.66 4.08 0.12 0.44 2.20 0.36 -1.01 119.74 126.58 1jkn s LYS 111 Ca -0.14 0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.40 1jkn s LYS 111 Cb -0.16 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.43 1jkn s LYS 111 CO 0.04 -0.28 1.67 0.12 -0.36 0.00 0.00 175.35 176.54 1jkn s PHE 112 N 2.08 2.59 -0.24 4.03 5.36 -0.65 -2.17 117.98 128.98 1jkn s PHE 112 Ca 0.20 0.35 0.15 0.00 -0.96 0.00 0.00 56.93 56.67 1jkn s PHE 112 Cb -0.16 -4.01 0.47 0.00 -0.34 0.00 0.00 43.02 38.99 1jkn s PHE 112 CO 0.09 -3.96 1.16 0.25 -1.46 0.00 0.00 175.22 171.30 1jkn n THR 113 N 4.45 1.78 -1.01 0.12 -2.24 0.24 -4.77 114.28 112.85 1jkn n THR 113 Ca 0.16 -3.33 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 1jkn n THR 113 Cb 0.39 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.60 5.55 3.26 3.38 0.00 -1.19 -4.76 105.19 110.84 1jkn n GLY 114 Ca 0.24 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 3.48 1.08 0.42 1.61 -1.52 -1.26 -5.00 119.66 118.47 1jkn s GLN 115 Ca 0.00 -1.26 0.15 0.00 -1.95 0.00 0.00 55.36 52.30 1jkn s GLN 115 Cb 0.00 -1.04 0.80 0.00 -0.22 0.00 0.00 33.01 32.55 1jkn s GLN 115 CO 0.00 0.21 1.36 -0.44 -0.25 0.00 0.00 175.29 176.17 1jkn h ASP 116 N 3.54 0.00 1.88 5.90 3.32 -2.02 0.77 116.42 129.81 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 -3.16 115.11 117.63 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 0.79 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 1jkn h GLN 117 CO 0.00 0.00 -0.50 1.49 -1.93 0.00 0.00 178.83 177.89 1jkn h GLU 118 N 0.00 0.00 -6.11 1.69 4.57 0.22 -3.43 114.58 111.52 1jkn h GLU 118 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1jkn h GLU 118 Cb 0.94 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 1jkn h GLU 118 CO 0.00 0.50 1.29 0.42 -1.18 0.00 0.00 179.01 180.04 1jkn s ILE 119 N -2.98 3.46 -0.45 2.32 1.01 -1.20 -3.72 121.20 119.65 1jkn s ILE 119 Ca 0.04 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1jkn s ILE 119 Cb 0.08 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.67 1jkn s ILE 119 CO 0.74 -0.88 0.20 0.20 0.00 0.00 0.00 174.94 175.20 1jkn s ASN 120 N 7.00 4.88 0.61 3.58 -0.87 0.13 -4.93 114.94 125.33 1jkn s ASN 120 Ca 0.66 -2.43 0.31 0.00 -1.57 0.00 0.00 52.86 49.83 1jkn s ASN 120 Cb -0.14 -1.72 1.75 0.00 -0.02 0.00 0.00 41.25 41.12 1jkn s ASN 120 CO 0.24 -0.39 2.11 -0.07 -2.57 0.00 0.00 177.10 176.42 1jkn h LEU 121 N 7.38 0.00 0.64 0.60 3.38 -1.75 -1.20 115.31 124.36 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 41.74 1jkn h LEU 121 CO 0.64 0.00 -0.31 -0.07 0.09 0.00 0.00 178.44 178.79 1jkn h LEU 122 N 0.00 -0.73 0.00 1.67 3.38 -1.83 -3.37 115.31 114.44 1jkn h LEU 122 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jkn h LEU 122 Cb 0.46 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jkn h LEU 122 CO -0.00 -0.46 0.00 0.61 0.09 0.00 0.00 178.44 178.68 1jkn n GLY 123 N -1.19 0.54 1.92 0.83 0.00 -0.82 -3.63 105.19 102.83 1jkn n GLY 123 Ca -0.13 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 6.28 -0.81 1.61 5.75 0.15 -4.70 116.55 124.83 1jkn n ASP 124 Ca 0.00 -3.12 -0.08 0.00 -0.01 0.00 0.00 54.79 51.58 1jkn n ASP 124 Cb 0.00 -1.01 -0.01 0.00 -1.03 0.00 0.00 41.12 39.07 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkn n GLY 125 N 0.13 0.33 0.94 6.12 0.00 -1.26 -4.92 105.19 106.54 1jkn n GLY 125 Ca 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.57 0.00 -4.91 1.61 7.64 -1.26 -5.10 113.62 112.17 1jkn n SER 126 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.52 1jkn n SER 126 Cb 0.47 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.71 1jkn n SER 126 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1jkn s GLU 127 N -0.92 2.84 0.44 1.43 2.56 -1.26 -5.08 118.70 118.72 1jkn s GLU 127 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.97 54.92 1jkn s GLU 127 Cb 0.00 -2.21 -0.07 0.00 2.00 0.00 0.00 34.13 33.85 1jkn s GLU 127 CO 0.00 -0.82 0.83 0.15 -0.56 0.00 0.00 175.26 174.87 1jkn s LYS 128 N -5.09 3.82 0.98 4.30 1.02 -1.26 -4.57 119.74 118.95 1jkn s LYS 128 Ca 0.55 0.61 -0.15 0.00 0.02 0.00 0.00 55.97 57.00 1jkn s LYS 128 Cb -0.11 -2.31 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1jkn s LYS 128 CO 0.46 -0.11 -0.26 -2.30 -0.92 0.00 0.00 175.35 172.23 1jkn n PRO 129 N -1.40 -0.17 0.00 -1.68 -0.02 -1.24 -4.87 135.00 125.61 1jkn n PRO 129 Ca 0.04 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1jkn n PRO 129 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.48 0.00 -4.16 -0.52 1.02 -1.26 -5.03 120.64 111.17 1jkn n GLU 130 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 1jkn n GLU 130 Cb 0.56 -0.10 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jkn s PHE 131 N -1.60 3.01 -0.04 -0.32 0.08 -1.26 -1.82 117.98 116.03 1jkn s PHE 131 Ca 0.00 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1jkn s PHE 131 Cb 0.00 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 1jkn s PHE 131 CO 0.00 0.54 0.10 0.41 -0.10 0.00 0.00 175.22 176.17 1jkn n GLY 132 N -1.03 -0.00 3.61 4.36 0.00 -0.72 -4.66 105.19 106.75 1jkn n GLY 132 Ca -0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -2.07 1.85 -0.03 1.61 0.41 -1.25 -5.00 118.70 114.21 1jkn s GLU 133 Ca -0.01 -1.48 -0.25 0.00 -0.41 0.00 0.00 54.97 52.82 1jkn s GLU 133 Cb 0.02 0.50 0.05 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.16 -0.80 0.55 1.67 -0.49 0.00 0.00 175.26 176.35 1jkn s TRP 134 N -3.26 -0.49 0.17 1.61 1.48 -1.26 -0.64 118.94 116.55 1jkn s TRP 134 Ca 0.24 0.80 -0.09 0.00 -1.06 0.00 0.00 56.10 55.99 1jkn s TRP 134 Cb -0.02 0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 32.59 1jkn s TRP 134 CO 0.14 -0.54 0.29 0.45 -4.06 0.00 0.00 176.95 173.22 1jkn s SER 135 N -1.30 0.04 -0.23 -2.66 0.15 0.20 -4.97 113.70 104.93 1jkn s SER 135 Ca -0.11 -0.89 -0.11 0.00 0.70 0.00 0.00 55.95 55.53 1jkn s SER 135 Cb -0.02 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1jkn s SER 135 CO 0.07 -0.90 0.18 0.26 1.20 0.00 0.00 173.24 174.05 1jkn s TRP 136 N -3.98 3.33 0.03 3.44 0.23 -1.26 -1.11 118.94 119.62 1jkn s TRP 136 Ca 0.18 0.27 0.01 0.00 -2.03 0.00 0.00 56.10 54.54 1jkn s TRP 136 Cb 0.03 -2.29 -0.02 0.00 0.03 0.00 0.00 33.47 31.22 1jkn s TRP 136 CO 0.01 0.08 -0.05 0.14 0.96 0.00 0.00 176.95 178.08 1jkn s VAL 137 N 1.03 0.34 0.73 4.03 -7.23 -1.14 -4.88 120.40 113.28 1jkn s VAL 137 Ca 0.09 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.09 1jkn s VAL 137 Cb -0.13 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.33 1jkn s VAL 137 CO 0.04 -0.47 1.09 0.42 -0.31 0.00 0.00 175.10 175.87 1jkn s THR 138 N -1.56 3.43 0.54 5.32 -4.23 -1.26 0.80 115.64 118.68 1jkn s THR 138 Ca -0.12 0.52 0.31 0.00 -1.18 0.00 0.00 61.69 61.22 1jkn s THR 138 Cb -0.09 -3.05 0.31 0.00 1.34 0.00 0.00 72.50 71.01 1jkn s THR 138 CO -0.01 -0.56 1.94 1.55 -0.54 0.00 0.00 174.62 177.00 1jkn h PRO 139 N -0.73 0.00 0.05 3.99 0.13 -1.96 0.30 132.00 133.78 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 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.53 0.00 -1.86 0.39 -0.23 0.00 0.00 178.00 176.83 1jkn n GLU 140 N -2.80 0.69 -0.02 0.86 4.71 -1.26 -3.53 120.64 119.29 1jkn n GLU 140 Ca -0.02 0.27 -0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1jkn n GLU 140 Cb 0.28 -1.75 -0.10 0.00 -1.01 0.00 0.00 31.44 28.86 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1jkn h GLN 141 N 0.03 -0.03 -0.58 3.49 1.08 -0.91 -2.89 115.11 115.31 1jkn h GLN 141 Ca -0.36 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.02 1jkn h GLN 141 Cb 2.03 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.08 0.56 0.43 1.25 -0.95 0.00 0.00 178.83 180.20 1jkn h LEU 142 N -0.63 0.00 -1.18 1.46 5.85 -0.85 1.07 115.31 121.03 1jkn h LEU 142 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jkn h LEU 142 Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1jkn h LEU 142 CO 0.00 0.00 -0.39 0.40 -0.34 0.00 0.00 178.44 178.12 1jkn h ILE 143 N 0.00 1.14 0.00 4.05 1.08 -1.57 0.04 117.51 122.25 1jkn h ILE 143 Ca 0.28 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 1jkn h ILE 143 Cb 1.13 1.78 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1jkn h ILE 143 CO -0.00 0.38 -0.15 -0.78 -0.69 0.00 0.00 178.15 176.91 1jkn h ASP 144 N 0.00 0.00 0.24 1.72 1.82 0.14 -3.26 116.42 117.08 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.29 1jkn h ASP 144 Cb 0.75 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.77 1jkn h ASP 144 CO 0.05 0.09 -1.68 -0.07 -1.61 0.00 0.00 179.24 176.02 1jkn h LEU 145 N 0.00 0.63-10.10 2.28 3.38 -0.62 -3.47 115.31 107.41 1jkn h LEU 145 Ca -0.00 -0.88 -0.49 0.00 0.09 0.00 0.00 57.88 56.60 1jkn h LEU 145 Cb 1.07 -0.20 0.21 0.00 0.09 0.00 0.00 40.66 41.83 1jkn h LEU 145 CO 0.01 1.73 -0.08 0.41 0.09 0.00 0.00 178.44 180.60 1jkn n THR 146 N -3.59 0.00 -3.10 0.22 -1.04 -0.06 -4.44 114.28 102.26 1jkn n THR 146 Ca -0.22 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.34 1jkn n THR 146 Cb 1.08 -0.91 -0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 -2.49 4.68 0.57 12.58 0.11 -1.26 -4.90 120.40 129.69 1jkn s VAL 147 Ca 0.65 -0.35 0.26 0.00 -2.93 0.00 0.00 61.98 59.61 1jkn s VAL 147 Cb -0.23 -3.73 0.33 0.00 -1.53 0.00 0.00 36.38 31.23 1jkn s VAL 147 CO 0.62 -0.53 2.23 -0.33 -3.33 0.00 0.00 175.10 173.76 1jkn h GLU 148 N 0.52 0.00 -0.50 1.54 4.39 -1.95 -0.30 114.58 118.28 1jkn h GLU 148 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1jkn h GLU 148 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1jkn h GLU 148 CO 0.60 0.00 0.00 1.97 -1.16 0.00 0.00 179.01 180.42 1jkn n PHE 149 N -4.02 0.71 -1.64 4.33 1.16 -1.26 -3.97 117.46 112.78 1jkn n PHE 149 Ca -0.03 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.23 1jkn n PHE 149 Cb 0.09 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 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 0.68 0.00 0.29 3.97 5.02 -0.48 -4.22 118.16 123.42 1jkn n LYS 150 Ca 0.15 -0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1jkn n LYS 150 Cb 0.46 -0.26 -0.06 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.74 -0.94 1.97 1.57 -1.23 -2.88 116.57 114.32 1jkn h LYS 151 Ca 0.00 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1jkn h LYS 151 Cb 1.06 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1jkn h LYS 151 CO 0.00 -0.49 0.58 -1.00 -0.57 0.00 0.00 179.45 177.97 1jkn h PRO 152 N -0.96 0.94 -0.24 3.15 0.13 -1.88 0.24 132.00 133.38 1jkn h PRO 152 Ca -0.08 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1jkn h PRO 152 Cb 0.59 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1jkn h PRO 152 CO 0.13 0.62 0.20 0.28 -0.23 0.00 0.00 178.00 179.00 1jkn h VAL 153 N 0.97 0.69 0.00 1.56 2.07 -1.91 0.40 116.25 120.03 1jkn h VAL 153 Ca 0.45 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.77 1jkn h VAL 153 Cb 0.36 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1jkn h VAL 153 CO -0.23 0.00 -1.23 -1.22 0.02 0.00 0.00 177.57 174.91 1jkn n TYR 154 N -4.18 0.85 -0.28 1.57 4.02 -0.12 -3.78 117.16 115.24 1jkn n TYR 154 Ca 0.03 0.37 0.26 0.00 -0.01 0.00 0.00 57.90 58.54 1jkn n TYR 154 Cb 0.35 -0.99 0.60 0.00 -0.02 0.00 0.00 39.34 39.27 1jkn n TYR 154 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jkn h LYS 155 N -1.00 0.23 -0.28 -0.72 3.64 -0.37 0.42 116.57 118.50 1jkn h LYS 155 Ca -0.30 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1jkn h LYS 155 Cb 1.15 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1jkn h LYS 155 CO -0.18 0.15 0.01 1.49 -2.27 0.00 0.00 179.45 178.65 1jkn h GLU 156 N 0.24 0.48 -0.40 1.90 4.57 -1.09 0.39 114.58 120.68 1jkn h GLU 156 Ca 0.53 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 1jkn h GLU 156 Cb 1.62 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.13 1jkn h GLU 156 CO -0.16 0.63 0.21 0.28 -1.18 0.00 0.00 179.01 178.79 1jkn h VAL 157 N 0.28 0.99 -0.08 0.32 2.07 -0.31 0.36 116.25 119.87 1jkn h VAL 157 Ca 0.08 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1jkn h VAL 157 Cb 0.41 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jkn h VAL 157 CO 0.01 0.08 0.02 -0.07 0.02 0.00 0.00 177.57 177.63 1jkn h LEU 158 N 0.42 0.12 -0.64 2.57 3.38 -1.01 -1.88 115.31 118.26 1jkn h LEU 158 Ca 0.17 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1jkn h LEU 158 Cb 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 1jkn h LEU 158 CO -0.11 0.30 0.12 0.77 0.09 0.00 0.00 178.44 179.62 1jkn h SER 159 N -0.06 -0.04 0.61 -0.43 4.64 0.22 1.84 113.55 120.33 1jkn h SER 159 Ca 0.03 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jkn h SER 159 Cb 0.22 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1jkn h SER 159 CO -0.00 -0.02 -0.11 0.58 -0.87 0.00 0.00 176.83 176.41 1jkn h VAL 160 N 0.24 0.39 -0.02 0.95 2.07 -0.77 -2.46 116.25 116.65 1jkn h VAL 160 Ca 0.34 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1jkn h VAL 160 Cb 0.54 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1jkn h VAL 160 CO -0.45 0.11 -0.15 0.49 0.02 0.00 0.00 177.57 177.59 1jkn n PHE 161 N -3.41 0.00 -0.27 1.57 3.72 0.18 -4.57 117.46 114.69 1jkn n PHE 161 Ca -0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1jkn n PHE 161 Cb 0.29 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.05 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 3.75 1.14 0.00 4.37 0.00 0.30 0.34 119.26 129.17 1jkn h ALA 162 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jkn h ALA 162 Cb 0.78 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jkn h ALA 162 CO 0.00 -0.28 -0.09 -1.00 0.00 0.00 0.00 179.25 177.89 1jkn h PRO 163 N 0.39 0.00 0.11 0.00 0.13 -1.80 -3.19 132.00 127.64 1jkn h PRO 163 Ca 0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.25 1jkn h PRO 163 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1jkn h PRO 163 CO -0.47 0.09 -1.81 0.45 -0.23 0.00 0.00 178.00 176.03 1jkn h HIS 164 N 0.00 0.43 0.00 1.56 3.86 -1.23 -3.55 115.15 116.23 1jkn h HIS 164 Ca -0.00 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1jkn h HIS 164 Cb 0.62 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1jkn h HIS 164 CO 0.00 1.71 0.00 1.47 0.86 0.00 0.00 177.93 181.97