#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn n PRO 2 N 0.00 -2.78 -2.14 1.61 -0.04 -1.26 -4.86 135.00 125.53 1jkn n PRO 2 Ca 0.00 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1jkn n PRO 2 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1jkn n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1jkn n LEU 3 N 0.00 -6.15 0.00 1.53 -0.00 -1.26 -4.90 117.00 106.22 1jkn n LEU 3 Ca 0.13 2.89 0.00 0.00 -0.00 0.00 0.00 56.01 59.03 1jkn n LEU 3 Cb 0.50 -3.09 0.00 0.00 -0.00 0.00 0.00 43.42 40.84 1jkn n LEU 3 CO 0.35 -2.25 0.00 0.61 -0.00 0.00 0.00 177.39 176.10 1jkn n GLY 4 N 1.76 1.74 0.00 -3.96 0.00 -1.26 -4.86 105.19 98.62 1jkn n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jkn n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.24 -4.91 113.62 112.48 1jkn n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jkn n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jkn n SER 5 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1jkn n MET 6 N 0.00 0.86 -1.15 4.33 1.56 -0.25 -4.93 117.12 117.53 1jkn n MET 6 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.38 1jkn n MET 6 Cb 0.00 -0.74 -0.02 0.00 2.15 0.00 0.00 33.22 34.61 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 -1.64 -4.61 0.00 6.12 8.00 -1.26 -4.85 116.55 118.31 1jkn n ASP 7 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1jkn n ASP 7 Cb 0.24 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jkn n SER 8 N -0.31 0.00 -4.62 -2.24 7.64 -1.26 -4.89 113.62 107.95 1jkn n SER 8 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 1jkn n SER 8 Cb 0.33 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.98 3.68 0.18 1.43 0.04 -1.26 -4.86 135.00 133.23 1jkn s PRO 9 Ca 0.00 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 1jkn s PRO 9 Cb 0.00 -4.03 0.04 0.00 0.04 0.00 0.00 34.50 30.54 1jkn s PRO 9 CO 0.00 -1.43 0.25 -0.35 0.04 0.00 0.00 177.00 175.50 1jkn n PRO 10 N 7.84 0.42 -2.33 0.56 -0.04 -1.26 -5.10 135.00 135.10 1jkn n PRO 10 Ca 0.18 -0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 62.69 1jkn n PRO 10 Cb 0.46 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jkn s GLU 11 N -3.06 3.57 0.00 0.54 0.41 -1.26 -4.14 118.70 114.77 1jkn s GLU 11 Ca 0.16 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 1jkn s GLU 11 Cb -0.01 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 1jkn s GLU 11 CO 0.11 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 1jkn n GLY 12 N -2.43 2.73 3.57 -1.39 0.00 -1.26 -5.00 105.19 101.41 1jkn n GLY 12 Ca 0.03 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -1.40 2.94 0.40 1.61 2.02 -1.26 -2.39 117.35 119.27 1jkn s TYR 13 Ca 0.00 -0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 56.53 1jkn s TYR 13 Cb 0.00 -1.74 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 1jkn s TYR 13 CO 0.00 0.28 0.82 -0.98 -1.57 0.00 0.00 175.55 174.10 1jkn s ARG 14 N -0.67 3.95 0.20 -0.62 1.70 -1.25 -4.62 118.95 117.65 1jkn s ARG 14 Ca 0.10 0.72 -0.31 0.00 -0.47 0.00 0.00 55.73 55.77 1jkn s ARG 14 Cb -0.11 -2.33 -0.10 0.00 -0.57 0.00 0.00 34.95 31.84 1jkn s ARG 14 CO 0.02 -0.00 1.46 1.03 -1.08 0.00 0.00 175.30 176.72 1jkn s ARG 15 N -3.47 4.27 0.10 3.89 0.52 -1.26 -2.75 118.95 120.25 1jkn s ARG 15 Ca 0.55 2.26 -0.15 0.00 -0.52 0.00 0.00 55.73 57.87 1jkn s ARG 15 Cb -0.10 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.25 1jkn s ARG 15 CO 0.24 -0.46 0.37 1.21 0.02 0.00 0.00 175.30 176.68 1jkn s ASN 16 N 0.70 -0.19 -0.04 0.23 2.47 -1.18 -2.12 114.94 114.81 1jkn s ASN 16 Ca 0.63 -0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.65 1jkn s ASN 16 Cb -0.41 0.44 0.01 0.00 -1.45 0.00 0.00 41.25 39.84 1jkn s ASN 16 CO 0.37 -0.78 -0.08 0.68 -3.72 0.00 0.00 177.10 173.57 1jkn s VAL 17 N -3.43 0.78 0.14 -5.21 -7.23 0.16 -3.27 120.40 102.33 1jkn s VAL 17 Ca 0.01 -0.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1jkn s VAL 17 Cb 0.01 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1jkn s VAL 17 CO -0.09 0.26 0.16 -0.83 -0.31 0.00 0.00 175.10 174.28 1jkn s GLY 18 N 0.45 1.81 -0.29 2.32 0.00 -1.25 -1.24 107.32 109.12 1jkn s GLY 18 Ca -0.07 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1jkn s GLY 18 CO 0.01 -1.11 0.04 -0.42 0.00 0.00 0.00 173.10 171.62 1jkn s ILE 19 N -1.66 1.42 -0.56 0.90 1.09 -0.66 -1.43 121.20 120.30 1jkn s ILE 19 Ca 0.32 -1.56 -0.22 0.00 -1.10 0.00 0.00 60.65 58.09 1jkn s ILE 19 Cb -0.11 -1.95 0.06 0.00 -1.06 0.00 0.00 42.46 39.40 1jkn s ILE 19 CO 0.24 -0.47 0.83 0.00 -0.10 0.00 0.00 174.94 175.45 1jkn s LEU 21 N 3.48 4.02 0.17 0.00 2.96 -1.26 0.20 118.68 128.25 1jkn s LEU 21 Ca 0.23 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1jkn s LEU 21 Cb -0.16 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1jkn s LEU 21 CO 0.14 0.28 -0.15 0.00 -1.32 0.00 0.00 176.35 175.30 1jkn s MET 22 N -1.74 1.24 0.43 1.98 0.23 0.90 0.88 119.30 123.22 1jkn s MET 22 Ca 0.23 -1.46 0.08 0.00 -1.03 0.00 0.00 55.69 53.51 1jkn s MET 22 Cb -0.12 -1.11 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 1jkn s MET 22 CO 0.14 0.20 0.54 0.54 -2.03 0.00 0.00 175.02 174.42 1jkn s ASN 23 N -2.95 5.49 0.55 -1.18 4.22 -0.58 -1.67 114.94 118.82 1jkn s ASN 23 Ca 0.17 -0.52 0.28 0.00 -2.14 0.00 0.00 52.86 50.65 1jkn s ASN 23 Cb -0.03 -0.58 1.52 0.00 1.28 0.00 0.00 41.25 43.45 1jkn s ASN 23 CO 0.06 -0.77 1.83 0.78 -2.04 0.00 0.00 177.10 176.96 1jkn h ASN 24 N 0.70 0.00 -0.03 3.54 4.21 -1.92 0.65 115.58 122.73 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.11 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1jkn h ASN 24 CO 0.47 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.08 1jkn n ASP 25 N -2.66 1.38 -0.42 5.81 8.00 -1.26 -4.91 116.55 122.49 1jkn n ASP 25 Ca -0.02 -1.48 -0.04 0.00 0.71 0.00 0.00 54.79 53.96 1jkn n ASP 25 Cb 0.27 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.32 -2.83 -1.24 5.02 0.23 -5.05 118.16 114.06 1jkn n LYS 26 Ca 0.19 0.37 -0.19 0.00 -2.02 0.00 0.00 58.31 56.66 1jkn n LYS 26 Cb 0.33 -4.09 0.03 0.00 -0.02 0.00 0.00 35.03 31.28 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 -3.49 2.59 -0.21 1.97 1.02 -1.24 -4.80 119.74 115.58 1jkn s LYS 27 Ca 0.00 -1.08 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 1jkn s LYS 27 Cb 0.00 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1jkn s LYS 27 CO 0.00 -0.59 0.01 0.42 -0.92 0.00 0.00 175.35 174.27 1jkn s ILE 28 N -2.60 4.01 -0.24 2.17 1.09 0.29 -1.53 121.20 124.38 1jkn s ILE 28 Ca 0.57 -0.29 -0.29 0.00 -1.10 0.00 0.00 60.65 59.54 1jkn s ILE 28 Cb -0.09 -2.82 -0.06 0.00 -1.06 0.00 0.00 42.46 38.42 1jkn s ILE 28 CO 0.37 0.42 2.22 0.33 -0.10 0.00 0.00 174.94 178.17 1jkn n PHE 29 N 4.32 1.91 -5.02 3.97 7.35 0.25 -2.92 117.46 127.32 1jkn n PHE 29 Ca -0.17 -0.07 -0.32 0.00 -0.76 0.00 0.00 57.45 56.13 1jkn n PHE 29 Cb 0.52 -2.70 -0.15 0.00 0.35 0.00 0.00 39.48 37.50 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 8.15 2.44 -0.06 3.13 0.00 -0.45 -4.66 121.76 130.31 1jkn s ALA 30 Ca 1.02 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 52.05 1jkn s ALA 30 Cb -0.42 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1jkn s ALA 30 CO 0.37 0.41 -0.23 0.00 0.00 0.00 0.00 175.76 176.32 1jkn s ALA 31 N -0.20 2.27 0.45 0.00 0.00 0.46 0.52 121.76 125.26 1jkn s ALA 31 Ca -0.01 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1jkn s ALA 31 Cb -0.13 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 1jkn s ALA 31 CO 0.03 0.44 0.89 -1.54 0.00 0.00 0.00 175.76 175.58 1jkn s SER 32 N -0.27 6.63 0.72 0.00 1.04 0.93 -0.55 113.70 122.20 1jkn s SER 32 Ca -0.00 1.40 -0.12 0.00 0.48 0.00 0.00 55.95 57.71 1jkn s SER 32 Cb -0.13 -2.44 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1jkn s SER 32 CO 0.03 -0.47 1.09 -0.13 0.98 0.00 0.00 173.24 174.74 1jkn s ARG 33 N -3.81 2.57 0.00 4.02 0.52 0.44 -1.78 118.95 120.91 1jkn s ARG 33 Ca 0.56 1.20 0.25 0.00 -0.52 0.00 0.00 55.73 57.22 1jkn s ARG 33 Cb -0.10 -1.93 0.48 0.00 0.52 0.00 0.00 34.95 33.92 1jkn s ARG 33 CO 0.28 -1.41 1.39 1.28 0.02 0.00 0.00 175.30 176.87 1jkn n LEU 34 N -3.07 1.06 0.00 2.53 4.77 -0.79 -4.09 117.00 117.41 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 -0.20 -0.90 -1.33 0.00 0.00 177.39 175.69 1jkn n ASP 35 N -0.83 2.03 -4.06 -1.43 5.75 -1.26 -4.97 116.55 111.78 1jkn n ASP 35 Ca 0.09 -0.08 -0.32 0.00 -0.01 0.00 0.00 54.79 54.48 1jkn n ASP 35 Cb 0.36 0.56 -0.15 0.00 -1.03 0.00 0.00 41.12 40.87 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1jkn s ILE 36 N -0.97 2.23 0.17 2.12 1.01 -1.26 -5.09 121.20 119.41 1jkn s ILE 36 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 60.65 58.55 1jkn s ILE 36 Cb 0.00 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.97 1jkn s ILE 36 CO 0.00 -0.16 1.69 -2.84 0.00 0.00 0.00 174.94 173.63 1jkn s PRO 37 N 1.06 4.16 0.00 2.79 0.02 -1.26 -1.56 135.00 140.22 1jkn s PRO 37 Ca -0.04 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1jkn s PRO 37 Cb -0.20 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1jkn s PRO 37 CO -0.05 -0.72 0.00 -3.47 -0.33 0.00 0.00 177.00 172.43 1jkn n ASP 38 N 4.42 -0.53 -4.47 2.53 -0.08 -1.26 -4.97 116.55 112.18 1jkn n ASP 38 Ca 0.16 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.01 1jkn n ASP 38 Cb 0.37 -0.09 -0.03 0.00 2.34 0.00 0.00 41.12 43.71 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 -3.64 3.11 0.20 -1.67 0.00 -0.60 -4.97 121.76 114.19 1jkn s ALA 39 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 51.96 50.01 1jkn s ALA 39 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 1jkn s ALA 39 CO 0.00 -2.90 0.22 -1.58 0.00 0.00 0.00 175.76 171.50 1jkn s TRP 40 N 4.01 3.26 0.13 0.00 0.52 -1.26 0.17 118.94 125.76 1jkn s TRP 40 Ca 0.26 -0.02 -0.15 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 40 Cb -0.13 -1.52 0.05 0.00 -1.15 0.00 0.00 33.47 30.72 1jkn s TRP 40 CO 0.06 0.51 0.74 0.00 0.02 0.00 0.00 176.95 178.27 1jkn n GLN 41 N -0.81 0.45 -4.18 4.98 10.64 0.29 -4.45 117.38 124.30 1jkn n GLN 41 Ca -0.08 -1.04 -0.25 0.00 -1.83 0.00 0.00 57.00 53.80 1jkn n GLN 41 Cb 0.56 1.41 -0.06 0.00 -0.86 0.00 0.00 30.24 31.29 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1jkn s MET 42 N -2.04 2.59 0.34 2.61 -1.94 -1.26 -0.40 119.30 119.21 1jkn s MET 42 Ca 0.16 -1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 52.76 1jkn s MET 42 Cb -0.02 -2.42 -0.10 0.00 2.01 0.00 0.00 34.83 34.29 1jkn s MET 42 CO 0.04 0.43 1.31 -1.25 -0.01 0.00 0.00 175.02 175.55 1jkn s PRO 43 N -3.29 4.31 0.11 2.03 0.04 -1.26 -4.95 135.00 131.99 1jkn s PRO 43 Ca 0.30 2.23 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 1jkn s PRO 43 Cb -0.09 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.46 1jkn s PRO 43 CO 0.21 -0.23 0.43 1.14 0.04 0.00 0.00 177.00 178.59 1jkn s GLN 44 N -1.85 1.06 -0.14 4.56 -2.07 -1.26 -1.64 119.66 118.31 1jkn s GLN 44 Ca 0.50 -0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 53.15 1jkn s GLN 44 Cb -0.40 0.47 0.09 0.00 -1.09 0.00 0.00 33.01 32.08 1jkn s GLN 44 CO 0.53 -0.41 0.81 0.20 -1.32 0.00 0.00 175.29 175.10 1jkn s GLY 45 N -2.61 -0.45 0.26 2.60 0.00 -0.37 -4.87 107.32 101.88 1jkn s GLY 45 Ca 0.01 1.78 -0.30 0.00 0.00 0.00 0.00 44.72 46.21 1jkn s GLY 45 CO -0.10 1.22 1.36 -0.32 0.00 0.00 0.00 173.10 175.26 1jkn s GLY 46 N -0.72 2.57 0.84 0.20 0.00 -1.26 0.36 107.32 109.30 1jkn s GLY 46 Ca -0.05 1.24 -0.10 0.00 0.00 0.00 0.00 44.72 45.81 1jkn s GLY 46 CO 0.04 2.10 1.12 -0.42 0.00 0.00 0.00 173.10 175.95 1jkn s ILE 47 N -0.33 2.74 0.24 0.90 1.01 -0.90 -4.80 121.20 120.06 1jkn s ILE 47 Ca 0.55 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1jkn s ILE 47 Cb -0.40 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 1jkn s ILE 47 CO 0.45 -0.31 0.57 -1.81 0.00 0.00 0.00 174.94 173.83 1jkn s ASP 48 N -3.05 6.63 -0.73 3.58 1.01 -1.26 -4.90 116.67 117.95 1jkn s ASP 48 Ca 0.64 0.94 -0.27 0.00 0.71 0.00 0.00 52.55 54.57 1jkn s ASP 48 Cb -0.20 -2.23 -0.15 0.00 1.01 0.00 0.00 42.92 41.35 1jkn s ASP 48 CO 0.57 -0.09 2.50 -1.84 0.21 0.00 0.00 175.17 176.52 1jkn n GLU 49 N -0.20 0.57 -2.04 8.23 0.00 -1.26 0.20 120.64 126.13 1jkn n GLU 49 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1jkn n GLU 49 Cb 0.53 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.33 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jkn n GLY 50 N 6.22 0.94 3.53 -1.84 0.00 -1.26 -5.07 105.19 107.70 1jkn n GLY 50 Ca 0.50 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.10 2.21 0.27 1.61 2.56 0.13 -5.11 118.70 116.28 1jkn s GLU 51 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 54.97 53.75 1jkn s GLU 51 Cb 0.00 -2.30 -0.09 0.00 2.00 0.00 0.00 34.13 33.73 1jkn s GLU 51 CO 0.00 0.55 1.15 -0.51 -0.56 0.00 0.00 175.26 175.89 1jkn s ASP 52 N -1.64 7.15 0.13 -1.70 1.01 -1.26 -4.71 116.67 115.64 1jkn s ASP 52 Ca 0.17 2.33 -0.23 0.00 0.71 0.00 0.00 52.55 55.54 1jkn s ASP 52 Cb -0.11 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1jkn s ASP 52 CO 0.08 -0.25 1.67 -0.65 0.21 0.00 0.00 175.17 176.23 1jkn h PRO 53 N 3.99 -0.21 0.00 8.23 0.11 -1.97 0.76 132.00 142.93 1jkn h PRO 53 Ca -0.47 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.21 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jkn h PRO 53 CO 0.68 -0.14 -0.09 -0.09 -0.21 0.00 0.00 178.00 178.15 1jkn h ARG 54 N -0.21 0.00 0.02 1.05 2.43 -1.93 -1.02 114.38 114.72 1jkn h ARG 54 Ca 0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1jkn h ARG 54 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1jkn h ARG 54 CO -0.22 0.09 -0.72 -0.91 -1.51 0.00 0.00 179.97 176.70 1jkn h ASN 55 N 0.00 0.08 -0.12 -3.80 4.21 -1.68 -2.87 115.58 111.40 1jkn h ASN 55 Ca -0.00 -0.79 0.03 0.00 1.21 0.00 0.00 56.30 56.75 1jkn h ASN 55 Cb 0.21 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1jkn h ASN 55 CO 0.01 1.29 0.10 0.00 -1.29 0.00 0.00 177.43 177.54 1jkn h ALA 56 N -0.18 1.95 0.00 -0.83 0.00 0.67 -0.26 119.26 120.61 1jkn h ALA 56 Ca -0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jkn h ALA 56 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jkn h ALA 56 CO -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.03 1jkn h ALA 57 N 1.92 -0.00 -0.23 0.00 0.00 -1.29 0.38 119.26 120.03 1jkn h ALA 57 Ca 0.06 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1jkn h ALA 57 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jkn h ALA 57 CO -0.00 -0.11 0.17 0.82 0.00 0.00 0.00 179.25 180.12 1jkn h ILE 58 N -0.78 0.85 0.00 0.00 2.04 -1.15 0.35 117.51 118.83 1jkn h ILE 58 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1jkn h ILE 58 Cb 0.77 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1jkn h ILE 58 CO 0.00 0.00 -0.22 -0.09 0.00 0.00 0.00 178.15 177.84 1jkn h ARG 59 N 0.00 0.00 -0.93 2.37 2.43 -1.06 -3.30 114.38 113.89 1jkn h ARG 59 Ca 0.11 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 1jkn h ARG 59 Cb 0.44 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.90 1jkn h ARG 59 CO -0.00 0.68 0.54 0.93 -1.51 0.00 0.00 179.97 180.61 1jkn h GLU 60 N -1.00 0.77 0.02 0.20 4.39 0.28 -1.97 114.58 117.27 1jkn h GLU 60 Ca -0.05 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1jkn h GLU 60 Cb 0.76 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1jkn h GLU 60 CO -0.03 0.51 -0.17 1.25 -1.16 0.00 0.00 179.01 179.41 1jkn h LEU 61 N 0.79 -0.48 -1.04 1.33 5.85 -0.46 0.34 115.31 121.64 1jkn h LEU 61 Ca 0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1jkn h LEU 61 Cb 0.63 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1jkn h LEU 61 CO -0.33 -0.23 0.00 -1.14 -0.34 0.00 0.00 178.44 176.40 1jkn n ARG 62 N -5.30 0.12 -0.04 1.25 0.63 -0.79 0.81 116.66 113.35 1jkn n ARG 62 Ca -0.05 0.57 -0.21 0.00 -0.92 0.00 0.00 57.85 57.23 1jkn n ARG 62 Cb 0.21 -1.86 -0.13 0.00 0.45 0.00 0.00 32.46 31.14 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jkn n GLU 63 N -2.11 0.70 0.02 -0.14 1.02 0.53 -2.03 120.64 118.63 1jkn n GLU 63 Ca -0.00 0.30 -0.01 0.00 -0.02 0.00 0.00 57.16 57.43 1jkn n GLU 63 Cb 0.06 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.66 0.63 0.00 3.49 -0.58 0.90 -3.68 120.64 117.73 1jkn n GLU 64 Ca -0.35 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1jkn n GLU 64 Cb 0.97 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.87 0.00 -0.97 2.62 -2.24 0.24 -4.38 114.28 106.67 1jkn n THR 65 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1jkn n THR 65 Cb 0.87 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 2.48 0.28 3.63 3.38 0.00 -0.38 0.15 105.19 114.73 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 -1.62 3.73 -0.14 1.61 1.01 -1.25 -4.41 120.40 119.33 1jkn s VAL 67 Ca 0.00 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1jkn s VAL 67 Cb 0.00 -3.75 -0.23 0.00 0.00 0.00 0.00 36.38 32.40 1jkn s VAL 67 CO 0.00 -0.32 0.27 0.35 0.00 0.00 0.00 175.10 175.40 1jkn n THR 68 N 6.44 1.60 -2.76 3.92 -2.24 -1.26 -4.19 114.28 115.80 1jkn n THR 68 Ca 0.19 -0.71 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1jkn n THR 68 Cb 0.45 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.18 5.23 -3.70 3.42 7.64 -1.26 -4.90 113.62 116.86 1jkn n SER 69 Ca -0.31 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.42 1jkn n SER 69 Cb 1.06 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 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 0.93 -0.84 0.08 -0.43 0.00 -1.26 0.88 121.76 121.12 1jkn s ALA 70 Ca 0.41 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb 0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1jkn s ALA 70 CO 0.00 -0.33 -0.25 -1.21 0.00 0.00 0.00 175.76 173.97 1jkn s GLU 71 N 1.58 1.66 -0.06 0.00 2.02 -0.90 -4.89 118.70 118.12 1jkn s GLU 71 Ca -0.08 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1jkn s GLU 71 Cb -0.10 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1jkn s GLU 71 CO -0.11 0.49 1.12 0.08 0.02 0.00 0.00 175.26 176.86 1jkn s VAL 72 N -0.94 4.45 -0.22 2.63 1.01 -1.26 0.13 120.40 126.20 1jkn s VAL 72 Ca 0.13 1.75 0.13 0.00 0.00 0.00 0.00 61.98 64.00 1jkn s VAL 72 Cb -0.10 -4.13 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1jkn s VAL 72 CO 0.04 0.01 0.38 -0.38 0.00 0.00 0.00 175.10 175.16 1jkn n ILE 73 N 4.52 0.00 -3.58 2.22 2.08 -1.05 -4.88 119.36 118.67 1jkn n ILE 73 Ca 0.10 -0.27 -0.12 0.00 0.56 0.00 0.00 62.75 63.02 1jkn n ILE 73 Cb 0.47 0.46 -0.04 0.00 -0.75 0.00 0.00 39.64 39.78 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 -2.69 -1.17 -0.18 -1.39 0.00 -1.25 -4.97 121.76 110.10 1jkn s ALA 74 Ca -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 1jkn s ALA 74 Cb 0.09 0.64 0.09 0.00 0.00 0.00 0.00 23.12 23.94 1jkn s ALA 74 CO 0.55 -0.62 0.31 -1.83 0.00 0.00 0.00 175.76 174.16 1jkn s GLU 75 N -3.38 0.23 0.13 0.00 -1.05 -1.26 0.69 118.70 114.06 1jkn s GLU 75 Ca 0.00 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 33.23 1jkn s GLU 75 CO -0.09 -0.45 1.72 0.28 0.95 0.00 0.00 175.26 177.67 1jkn n VAL 76 N 5.35 0.18 0.30 1.83 0.31 -0.84 -4.86 118.33 120.61 1jkn n VAL 76 Ca -0.06 -0.03 0.17 0.00 -0.01 0.00 0.00 64.34 64.41 1jkn n VAL 76 Cb 0.50 -1.84 0.80 0.00 -0.91 0.00 0.00 33.84 32.38 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 7.26 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 139.51 1jkn h PRO 77 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 1jkn h PRO 77 Cb 1.24 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1jkn h PRO 77 CO 0.93 0.00 -0.46 2.48 -0.23 0.00 0.00 178.00 180.72 1jkn n TYR 78 N -2.78 0.77 -4.16 1.56 0.18 -1.26 -4.77 117.16 106.70 1jkn n TYR 78 Ca -0.01 -2.47 -0.32 0.00 1.88 0.00 0.00 57.90 56.99 1jkn n TYR 78 Cb 0.17 -0.21 -0.08 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 -2.88 3.13 -0.23 -3.48 0.52 -1.26 -4.56 118.94 110.18 1jkn s TRP 79 Ca 0.08 0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.25 1jkn s TRP 79 Cb 0.00 -1.65 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1jkn s TRP 79 CO 0.05 0.50 -0.06 -0.51 0.02 0.00 0.00 176.95 176.95 1jkn s LEU 80 N -1.94 2.98 -0.12 2.99 1.43 0.23 -1.09 118.68 123.16 1jkn s LEU 80 Ca 0.24 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1jkn s LEU 80 Cb -0.12 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1jkn s LEU 80 CO 0.15 -0.07 -0.11 0.42 0.23 0.00 0.00 176.35 176.98 1jkn s THR 81 N 1.40 3.30 0.22 5.49 -4.23 -1.26 -1.90 115.64 118.67 1jkn s THR 81 Ca 0.03 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1jkn s THR 81 Cb -0.15 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 1jkn s THR 81 CO -0.05 0.54 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.81 1jkn s TYR 82 N 0.07 1.58 0.24 3.99 1.13 -1.24 -4.53 117.35 118.59 1jkn s TYR 82 Ca -0.04 -0.83 0.11 0.00 -1.41 0.00 0.00 57.07 54.90 1jkn s TYR 82 Cb -0.14 -0.88 -0.05 0.00 -1.10 0.00 0.00 41.96 39.79 1jkn s TYR 82 CO 0.04 0.06 -0.20 0.16 -2.51 0.00 0.00 175.55 173.11 1jkn s ASP 83 N -3.30 3.32 0.19 -0.18 1.47 -1.26 -3.09 116.67 113.80 1jkn s ASP 83 Ca 0.26 -0.98 0.09 0.00 1.18 0.00 0.00 52.55 53.10 1jkn s ASP 83 Cb 0.04 -0.25 -0.04 0.00 -0.34 0.00 0.00 42.92 42.33 1jkn s ASP 83 CO 0.08 0.02 -0.11 -0.36 0.68 0.00 0.00 175.17 175.48 1jkn s PHE 84 N -2.37 2.60 1.05 2.11 0.40 -1.25 -4.88 117.98 115.63 1jkn s PHE 84 Ca 0.26 -0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 1jkn s PHE 84 Cb -0.05 -1.26 0.22 0.00 0.51 0.00 0.00 43.02 42.44 1jkn s PHE 84 CO 0.12 0.52 1.07 -1.25 0.70 0.00 0.00 175.22 176.38 1jkn s PRO 85 N -2.87 -0.02 0.42 0.24 0.04 -1.26 -4.40 135.00 127.15 1jkn s PRO 85 Ca 0.25 0.94 0.29 0.00 0.04 0.00 0.00 61.00 62.52 1jkn s PRO 85 Cb -0.08 -1.65 1.53 0.00 0.04 0.00 0.00 34.50 34.33 1jkn s PRO 85 CO 0.15 -3.15 1.88 -1.00 0.04 0.00 0.00 177.00 174.92 1jkn h PRO 86 N -2.21 0.00 0.05 0.56 0.13 -2.00 0.49 132.00 129.02 1jkn h PRO 86 Ca -0.55 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.25 1jkn h PRO 86 Cb 1.31 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1jkn h PRO 86 CO 0.50 0.00 -1.87 1.63 -0.23 0.00 0.00 178.00 178.03 1jkn n LYS 87 N -2.51 0.69 -0.07 0.86 4.01 -1.26 -3.01 118.16 116.85 1jkn n LYS 87 Ca -0.02 0.27 -0.14 0.00 -0.51 0.00 0.00 58.31 57.92 1jkn n LYS 87 Cb 0.06 -1.74 -0.11 0.00 -0.51 0.00 0.00 35.03 32.73 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1jkn h VAL 88 N 0.03 1.45 -0.26 -0.18 2.07 -1.64 -2.14 116.25 115.58 1jkn h VAL 88 Ca -0.36 -2.16 0.05 0.00 0.82 0.00 0.00 66.70 65.05 1jkn h VAL 88 Cb 2.03 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 34.56 1jkn h VAL 88 CO 0.08 0.49 -0.05 -0.09 0.02 0.00 0.00 177.57 178.02 1jkn h ARG 89 N -1.00 0.01 0.00 1.57 2.43 -0.27 0.79 114.38 117.91 1jkn h ARG 89 Ca -0.05 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1jkn h ARG 89 Cb 0.94 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1jkn h ARG 89 CO -0.03 0.01 -0.17 1.49 -1.51 0.00 0.00 179.97 179.76 1jkn h GLU 90 N 0.01 0.00 0.01 0.20 4.81 -1.68 -1.44 114.58 116.49 1jkn h GLU 90 Ca 0.12 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1jkn h GLU 90 Cb 0.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.57 1jkn h GLU 90 CO -0.25 0.17 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.60 1jkn h LYS 91 N 0.00 0.24 -0.31 1.92 3.64 -0.23 -3.31 116.57 118.53 1jkn h LYS 91 Ca -0.00 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1jkn h LYS 91 Cb 0.31 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1jkn h LYS 91 CO 0.02 0.99 0.16 -0.07 -2.27 0.00 0.00 179.45 178.29 1jkn h LEU 92 N -0.39 0.24 -1.92 5.20 3.38 0.76 0.34 115.31 122.92 1jkn h LEU 92 Ca -0.05 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.36 1jkn h LEU 92 Cb 1.13 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1jkn h LEU 92 CO 0.07 0.18 1.04 0.78 0.09 0.00 0.00 178.44 180.61 1jkn h ASN 93 N 0.33 0.04 0.00 -0.43 -0.26 -1.36 1.53 115.58 115.44 1jkn h ASN 93 Ca 0.13 0.02 -0.38 0.00 -0.56 0.00 0.00 56.30 55.50 1jkn h ASN 93 Cb 0.03 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.25 1jkn h ASN 93 CO -0.08 -0.01 -2.07 -0.38 -1.06 0.00 0.00 177.43 173.83 1jkn n ILE 94 N -4.16 1.53 0.17 2.81 5.41 -0.51 -2.53 119.36 122.07 1jkn n ILE 94 Ca 0.33 -0.26 -0.14 0.00 1.00 0.00 0.00 62.75 63.68 1jkn n ILE 94 Cb 1.51 -1.93 -0.08 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.97 -0.40 0.21 0.38 4.15 0.74 -3.29 115.11 115.93 1jkn h GLN 95 Ca -0.57 0.03 -0.32 0.00 0.77 0.00 0.00 58.65 58.56 1jkn h GLN 95 Cb 1.51 0.09 0.03 0.00 0.21 0.00 0.00 27.48 29.32 1jkn h GLN 95 CO -0.34 -0.12 -1.40 -1.49 -1.93 0.00 0.00 178.83 173.55 1jkn h TRP 96 N -0.66 0.85 -0.29 3.99 4.06 0.19 -3.49 115.95 120.59 1jkn h TRP 96 Ca -0.04 -0.61 0.00 0.00 2.06 0.00 0.00 58.89 60.29 1jkn h TRP 96 Cb 0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1jkn h TRP 96 CO 0.00 1.48 0.00 0.41 -3.56 0.00 0.00 178.44 176.77 1jkn n GLY 97 N 1.64 0.86 3.16 1.49 0.00 -0.12 -5.00 105.19 107.22 1jkn n GLY 97 Ca -0.14 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.74 1.67 -0.86 1.61 0.01 -1.23 -4.98 113.70 107.18 1jkn s SER 98 Ca 0.00 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb 0.00 -0.08 0.27 0.00 0.21 0.00 0.00 66.02 66.41 1jkn s SER 98 CO 0.00 -0.01 1.03 -0.90 0.41 0.00 0.00 173.24 173.76 1jkn n ASP 99 N 1.63 4.85 -4.30 2.44 5.75 -1.26 -3.80 116.55 121.87 1jkn n ASP 99 Ca -0.19 -3.37 -0.24 0.00 -0.01 0.00 0.00 54.79 50.98 1jkn n ASP 99 Cb 0.54 -0.98 -0.13 0.00 -1.03 0.00 0.00 41.12 39.53 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1jkn s TRP 100 N -2.35 1.84 0.21 2.11 0.52 -1.26 -5.03 118.94 114.97 1jkn s TRP 100 Ca 0.34 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 56.12 1jkn s TRP 100 Cb 0.06 -1.01 0.15 0.00 -1.15 0.00 0.00 33.47 31.52 1jkn s TRP 100 CO 0.01 0.22 1.49 0.87 0.02 0.00 0.00 176.95 179.55 1jkn h LYS 101 N 4.06 0.05 0.00 4.98 6.56 -1.87 -3.49 116.57 126.87 1jkn h LYS 101 Ca -0.47 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1jkn h LYS 101 Cb 1.18 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1jkn h LYS 101 CO 0.39 0.78 0.00 0.41 -2.06 0.00 0.00 179.45 178.98 1jkn n GLY 102 N 0.63 2.69 3.35 3.86 0.00 -1.26 -3.94 105.19 110.52 1jkn n GLY 102 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1jkn n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 103 N 4.50 0.51 -0.51 1.61 -0.21 -1.18 -3.75 119.66 120.63 1jkn s GLN 103 Ca 0.00 1.15 -0.21 0.00 0.02 0.00 0.00 55.36 56.31 1jkn s GLN 103 Cb 0.00 0.53 0.05 0.00 1.00 0.00 0.00 33.01 34.59 1jkn s GLN 103 CO 0.00 -0.39 0.74 0.00 -2.12 0.00 0.00 175.29 173.52 1jkn s ALA 104 N 2.80 3.30 0.14 6.09 0.00 -1.11 -3.65 121.76 129.34 1jkn s ALA 104 Ca 0.05 -1.49 0.09 0.00 0.00 0.00 0.00 51.96 50.61 1jkn s ALA 104 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1jkn s ALA 104 CO -0.18 -2.11 -0.20 1.14 0.00 0.00 0.00 175.76 174.41 1jkn s GLN 105 N 3.11 1.24 -0.59 0.00 -2.07 -0.80 -3.09 119.66 117.48 1jkn s GLN 105 Ca 0.22 -1.33 -0.10 0.00 -1.82 0.00 0.00 55.36 52.33 1jkn s GLN 105 Cb -0.16 -1.40 0.15 0.00 -1.09 0.00 0.00 33.01 30.51 1jkn s GLN 105 CO 0.15 0.30 0.47 0.15 -1.32 0.00 0.00 175.29 175.05 1jkn s LYS 106 N -2.47 2.79 0.42 9.60 -0.14 -1.20 0.76 119.74 129.50 1jkn s LYS 106 Ca 0.13 -2.07 -0.26 0.00 -1.36 0.00 0.00 55.97 52.41 1jkn s LYS 106 Cb -0.07 -4.03 -0.09 0.00 -1.68 0.00 0.00 37.83 31.96 1jkn s LYS 106 CO 0.06 -1.22 1.38 -1.58 -0.76 0.00 0.00 175.35 173.22 1jkn s TRP 107 N 0.83 2.64 -0.03 3.18 0.52 -1.26 -3.89 118.94 120.93 1jkn s TRP 107 Ca 0.10 1.32 0.05 0.00 0.02 0.00 0.00 56.10 57.59 1jkn s TRP 107 Cb -0.22 -3.82 -0.01 0.00 -1.15 0.00 0.00 33.47 28.28 1jkn s TRP 107 CO -0.03 -2.56 -0.17 -0.06 0.02 0.00 0.00 176.95 174.16 1jkn s PHE 108 N -1.22 1.62 0.52 -1.98 0.40 -0.52 -1.98 117.98 114.83 1jkn s PHE 108 Ca 0.58 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 56.36 1jkn s PHE 108 Cb -0.41 -1.07 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 1jkn s PHE 108 CO 0.54 -0.10 0.99 -1.17 0.70 0.00 0.00 175.22 176.18 1jkn s LEU 109 N -0.16 3.61 -0.13 -0.37 2.96 0.22 0.12 118.68 124.92 1jkn s LEU 109 Ca 0.01 1.59 -0.06 0.00 -0.22 0.00 0.00 54.13 55.44 1jkn s LEU 109 Cb -0.09 -4.51 0.06 0.00 0.50 0.00 0.00 46.19 42.14 1jkn s LEU 109 CO 0.01 -0.64 0.30 -0.36 -1.32 0.00 0.00 176.35 174.34 1jkn s PHE 110 N -2.62 -0.44 -0.27 5.38 0.40 0.52 -2.52 117.98 118.43 1jkn s PHE 110 Ca 0.59 0.99 -0.18 0.00 -0.60 0.00 0.00 56.93 57.73 1jkn s PHE 110 Cb -0.10 0.10 -0.03 0.00 0.51 0.00 0.00 43.02 43.50 1jkn s PHE 110 CO 0.32 -0.30 0.51 0.21 0.70 0.00 0.00 175.22 176.66 1jkn s LYS 111 N 1.58 4.02 0.04 0.44 2.20 0.34 -0.07 119.74 128.29 1jkn s LYS 111 Ca -0.07 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 1jkn s LYS 111 Cb -0.10 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 1jkn s LYS 111 CO -0.10 -0.38 1.67 0.12 -0.36 0.00 0.00 175.35 176.30 1jkn s PHE 112 N 2.31 2.29 -0.25 4.03 5.36 -0.67 -2.11 117.98 128.93 1jkn s PHE 112 Ca 0.20 0.26 0.13 0.00 -0.96 0.00 0.00 56.93 56.56 1jkn s PHE 112 Cb -0.16 -3.97 0.46 0.00 -0.34 0.00 0.00 43.02 39.02 1jkn s PHE 112 CO 0.10 -3.93 1.17 0.25 -1.46 0.00 0.00 175.22 171.35 1jkn n THR 113 N 4.90 2.02 -0.97 0.12 -2.24 0.26 -4.76 114.28 113.61 1jkn n THR 113 Ca 0.16 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 1jkn n THR 113 Cb 0.41 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.67 5.55 3.26 3.38 0.00 -1.20 -4.77 105.19 110.75 1jkn n GLY 114 Ca 0.29 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 1.08 0.44 1.61 1.11 -1.26 -5.00 119.66 121.19 1jkn s GLN 115 Ca 0.00 -1.26 0.15 0.00 0.01 0.00 0.00 55.36 54.26 1jkn s GLN 115 Cb 0.00 -1.04 0.80 0.00 -1.01 0.00 0.00 33.01 31.76 1jkn s GLN 115 CO 0.00 0.21 1.37 -0.44 0.01 0.00 0.00 175.29 176.44 1jkn h ASP 116 N 3.53 0.00 1.68 5.90 3.32 -2.02 0.80 116.42 129.63 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 -3.10 115.11 117.69 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 0.85 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1jkn h GLN 117 CO 0.00 0.00 -0.51 1.49 -1.93 0.00 0.00 178.83 177.88 1jkn h GLU 118 N 0.00 0.00 -6.28 1.69 4.57 0.27 -3.43 114.58 111.41 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 0.84 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.38 1jkn h GLU 118 CO 0.00 0.51 1.18 0.42 -1.18 0.00 0.00 179.01 179.93 1jkn s ILE 119 N -2.99 3.64 -0.43 2.32 1.01 -1.17 -3.74 121.20 119.83 1jkn s ILE 119 Ca 0.04 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1jkn s ILE 119 Cb 0.08 -4.29 0.12 0.00 0.01 0.00 0.00 42.46 38.37 1jkn s ILE 119 CO 0.74 -1.11 0.16 0.21 0.00 0.00 0.00 174.94 174.95 1jkn s ASN 120 N 5.46 4.67 0.63 3.58 2.47 0.39 -4.95 114.94 127.18 1jkn s ASN 120 Ca 0.57 -2.50 0.31 0.00 0.42 0.00 0.00 52.86 51.66 1jkn s ASN 120 Cb -0.12 -1.66 1.69 0.00 -1.45 0.00 0.00 41.25 39.70 1jkn s ASN 120 CO 0.24 -0.34 2.01 -0.07 -3.72 0.00 0.00 177.10 175.22 1jkn h LEU 121 N 7.21 0.00 0.81 3.21 3.38 -1.77 -2.11 115.31 126.03 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 41.73 1jkn h LEU 121 CO 0.61 0.00 -0.39 -0.07 0.09 0.00 0.00 178.44 178.68 1jkn h LEU 122 N 0.00 -0.92 0.00 1.67 3.38 -1.83 -3.37 115.31 114.24 1jkn h LEU 122 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1jkn h LEU 122 Cb 0.67 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1jkn h LEU 122 CO -0.00 -0.57 0.00 0.61 0.09 0.00 0.00 178.44 178.57 1jkn n GLY 123 N -1.07 -0.07 2.00 0.83 0.00 -0.81 -3.81 105.19 102.26 1jkn n GLY 123 Ca -0.14 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 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 6.50 -1.11 1.61 5.68 -0.86 -4.69 116.55 126.68 1jkn n ASP 124 Ca 0.00 -3.25 -0.11 0.00 -0.50 0.00 0.00 54.79 50.93 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 0.00 -1.14 0.00 0.00 41.12 38.96 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 -0.07 0.34 0.96 6.12 0.00 -1.26 -4.90 105.19 106.38 1jkn n GLY 125 Ca 0.39 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.02 0.08 -4.91 1.61 7.64 -1.26 -5.09 113.62 111.71 1jkn n SER 126 Ca -0.12 0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.50 1jkn n SER 126 Cb 0.52 -0.05 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 -1.07 2.86 0.43 1.43 2.12 -1.26 -5.07 118.70 118.13 1jkn s GLU 127 Ca -0.00 0.04 -0.14 0.00 0.36 0.00 0.00 54.97 55.23 1jkn s GLU 127 Cb 0.00 -2.23 -0.08 0.00 0.26 0.00 0.00 34.13 32.08 1jkn s GLU 127 CO 0.00 -0.78 0.86 -1.59 -0.54 0.00 0.00 175.26 173.20 1jkn s LYS 128 N -5.06 3.91 0.99 4.30 0.00 -1.26 -4.64 119.74 117.98 1jkn s LYS 128 Ca 0.55 0.73 -0.16 0.00 0.00 0.00 0.00 55.97 57.08 1jkn s LYS 128 Cb -0.11 -2.29 -0.04 0.00 0.00 0.00 0.00 37.83 35.40 1jkn s LYS 128 CO 0.46 -0.09 -0.22 -2.30 0.00 0.00 0.00 175.35 173.19 1jkn n PRO 129 N -1.21 -0.34 0.00 1.78 -0.02 -1.25 -4.90 135.00 129.06 1jkn n PRO 129 Ca 0.04 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1jkn n PRO 129 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.02 0.00 -4.16 -0.52 -0.58 -1.26 -5.05 120.64 109.10 1jkn n GLU 130 Ca 0.02 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.54 1jkn n GLU 130 Cb 0.57 -0.08 -0.05 0.00 -0.57 0.00 0.00 31.44 31.31 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 -1.67 3.00 -0.02 -0.32 0.08 -1.26 -1.89 117.98 115.91 1jkn s PHE 131 Ca 0.00 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1jkn s PHE 131 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.03 1jkn s PHE 131 CO 0.00 0.55 0.09 0.41 -0.10 0.00 0.00 175.22 176.17 1jkn n GLY 132 N -1.01 -0.14 3.61 4.36 0.00 -0.73 -4.67 105.19 106.61 1jkn n GLY 132 Ca -0.08 -0.10 -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 -2.23 1.85 0.01 1.61 0.41 -1.25 -5.00 118.70 114.09 1jkn s GLU 133 Ca -0.01 -1.48 -0.24 0.00 -0.41 0.00 0.00 54.97 52.82 1jkn s GLU 133 Cb 0.03 0.50 0.05 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.17 -0.80 0.55 1.67 -0.49 0.00 0.00 175.26 176.36 1jkn s TRP 134 N -3.27 -0.47 0.14 1.61 1.48 -1.26 -0.05 118.94 117.13 1jkn s TRP 134 Ca 0.24 0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 55.85 1jkn s TRP 134 Cb -0.02 0.33 -0.00 0.00 -1.16 0.00 0.00 33.47 32.62 1jkn s TRP 134 CO 0.14 -0.60 0.27 -1.12 -4.06 0.00 0.00 176.95 171.58 1jkn s SER 135 N -1.62 0.04 -0.25 -2.66 0.01 0.18 -4.97 113.70 104.43 1jkn s SER 135 Ca -0.08 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.27 1jkn s SER 135 Cb -0.01 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.59 1jkn s SER 135 CO 0.03 -0.85 0.26 0.26 0.41 0.00 0.00 173.24 173.34 1jkn s TRP 136 N -3.93 3.28 0.05 2.43 0.52 -1.26 -1.34 118.94 118.69 1jkn s TRP 136 Ca 0.13 0.30 0.03 0.00 0.02 0.00 0.00 56.10 56.58 1jkn s TRP 136 Cb 0.03 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1jkn s TRP 136 CO -0.03 -0.08 -0.09 0.14 0.02 0.00 0.00 176.95 176.91 1jkn s VAL 137 N 1.53 0.67 0.81 4.03 -7.23 -1.15 -4.87 120.40 114.19 1jkn s VAL 137 Ca 0.11 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.97 1jkn s VAL 137 Cb -0.15 -0.80 0.08 0.00 0.56 0.00 0.00 36.38 36.07 1jkn s VAL 137 CO 0.08 -0.40 1.09 0.42 -0.31 0.00 0.00 175.10 175.98 1jkn s THR 138 N -1.56 3.14 0.66 5.32 -4.23 -1.26 0.10 115.64 117.81 1jkn s THR 138 Ca -0.06 0.37 0.38 0.00 -1.18 0.00 0.00 61.69 61.19 1jkn s THR 138 Cb -0.09 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.22 1jkn s THR 138 CO 0.00 -0.48 2.17 -0.65 -0.54 0.00 0.00 174.62 175.12 1jkn h PRO 139 N -1.23 0.00 0.07 3.99 0.11 -1.96 0.18 132.00 133.17 1jkn h PRO 139 Ca -0.46 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.31 1jkn h PRO 139 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.54 0.00 -1.88 0.39 -0.21 0.00 0.00 178.00 176.84 1jkn n GLU 140 N -3.04 0.71 -0.01 1.05 -0.58 -1.26 -3.50 120.64 114.01 1jkn n GLU 140 Ca -0.02 0.28 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1jkn n GLU 140 Cb 0.22 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.25 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1jkn h GLN 141 N 0.04 -0.02 -0.67 3.49 4.20 -1.32 -2.70 115.11 118.12 1jkn h GLN 141 Ca -0.37 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.51 1jkn h GLN 141 Cb 2.03 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.78 1jkn h GLN 141 CO 0.09 0.46 0.47 1.25 -0.67 0.00 0.00 178.83 180.43 1jkn h LEU 142 N -0.52 0.16 -1.30 1.46 5.85 -0.93 1.03 115.31 121.06 1jkn h LEU 142 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1jkn h LEU 142 Cb 0.50 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1jkn h LEU 142 CO 0.00 0.08 -0.34 0.40 -0.34 0.00 0.00 178.44 178.24 1jkn h ILE 143 N 0.17 1.11 0.00 4.05 1.08 -1.55 0.12 117.51 122.48 1jkn h ILE 143 Ca 0.33 -1.22 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1jkn h ILE 143 Cb 1.05 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 36.48 1jkn h ILE 143 CO -0.05 0.33 -0.17 -0.78 -0.69 0.00 0.00 178.15 176.79 1jkn h ASP 144 N 0.00 0.00 0.25 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 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1jkn h ASP 144 CO 0.04 0.10 -1.72 -0.07 -1.61 0.00 0.00 179.24 175.98 1jkn h LEU 145 N 0.00 0.56 -9.98 2.28 3.38 -0.42 -3.47 115.31 107.66 1jkn h LEU 145 Ca -0.00 -0.84 -0.50 0.00 0.09 0.00 0.00 57.88 56.63 1jkn h LEU 145 Cb 1.08 -0.18 0.21 0.00 0.09 0.00 0.00 40.66 41.86 1jkn h LEU 145 CO 0.01 1.71 -0.31 0.41 0.09 0.00 0.00 178.44 180.35 1jkn n THR 146 N -3.55 0.00 -2.75 0.22 -1.04 0.33 -4.44 114.28 103.05 1jkn n THR 146 Ca -0.23 -0.20 -0.23 0.00 -2.04 0.00 0.00 64.05 61.34 1jkn n THR 146 Cb 1.07 -0.81 0.02 0.00 -1.82 0.00 0.00 70.33 68.80 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 -2.44 3.56 0.47 12.58 0.11 -1.26 -4.86 120.40 128.55 1jkn s VAL 147 Ca 0.62 -0.42 0.15 0.00 -2.93 0.00 0.00 61.98 59.41 1jkn s VAL 147 Cb -0.21 -3.35 0.32 0.00 -1.53 0.00 0.00 36.38 31.61 1jkn s VAL 147 CO 0.64 -0.28 2.04 -0.33 -3.33 0.00 0.00 175.10 173.84 1jkn h GLU 148 N 0.16 0.25 -0.57 1.54 5.08 -1.96 0.59 114.58 119.66 1jkn h GLU 148 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1jkn h GLU 148 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jkn h GLU 148 CO 0.57 0.16 0.00 1.97 -1.00 0.00 0.00 179.01 180.71 1jkn n PHE 149 N -4.47 0.90 -0.81 4.33 1.16 -1.26 -3.85 117.46 113.46 1jkn n PHE 149 Ca 0.05 -0.38 0.00 0.00 -1.87 0.00 0.00 57.45 55.26 1jkn n PHE 149 Cb 0.29 -0.13 0.00 0.00 -1.61 0.00 0.00 39.48 38.03 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 0.73 -0.13 0.34 3.97 5.02 0.00 -4.57 118.16 123.53 1jkn n LYS 150 Ca 0.17 -0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 1jkn n LYS 150 Cb 0.57 -0.59 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 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 -0.84 -0.53 1.97 1.57 -1.13 -1.76 116.57 115.84 1jkn h LYS 151 Ca 0.00 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1jkn h LYS 151 Cb 0.45 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1jkn h LYS 151 CO 0.00 -0.56 0.35 -1.00 -0.57 0.00 0.00 179.45 177.67 1jkn h PRO 152 N -0.95 0.70 -0.11 3.15 0.13 -1.88 0.60 132.00 133.64 1jkn h PRO 152 Ca -0.09 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1jkn h PRO 152 Cb 0.67 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1jkn h PRO 152 CO 0.15 0.46 0.10 0.28 -0.23 0.00 0.00 178.00 178.76 1jkn h VAL 153 N 0.72 0.66 0.00 1.56 2.07 -1.88 -0.21 116.25 119.17 1jkn h VAL 153 Ca 0.20 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.51 1jkn h VAL 153 Cb -0.08 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1jkn h VAL 153 CO -0.04 0.00 -1.25 -1.22 0.02 0.00 0.00 177.57 175.08 1jkn n TYR 154 N -4.07 0.88 -0.25 1.57 4.02 -0.66 -3.76 117.16 114.88 1jkn n TYR 154 Ca -0.00 0.38 0.26 0.00 -0.01 0.00 0.00 57.90 58.52 1jkn n TYR 154 Cb 0.21 -1.02 0.62 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.19 -0.26 -0.72 3.64 0.39 0.41 116.57 119.22 1jkn h LYS 155 Ca -0.31 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1jkn h LYS 155 Cb 1.18 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1jkn h LYS 155 CO -0.19 0.12 -0.00 1.49 -2.27 0.00 0.00 179.45 178.60 1jkn h GLU 156 N 0.19 0.47 -0.39 1.90 4.57 -1.20 0.80 114.58 120.92 1jkn h GLU 156 Ca 0.49 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 1jkn h GLU 156 Cb 1.59 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.12 1jkn h GLU 156 CO -0.11 0.64 0.23 0.28 -1.18 0.00 0.00 179.01 178.86 1jkn h VAL 157 N 0.25 1.04 -0.08 0.32 2.07 -0.35 0.13 116.25 119.64 1jkn h VAL 157 Ca 0.07 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1jkn h VAL 157 Cb 0.43 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jkn h VAL 157 CO 0.01 0.09 -0.00 -0.07 0.02 0.00 0.00 177.57 177.62 1jkn h LEU 158 N 0.47 0.14 -0.65 2.57 3.38 -0.98 -1.60 115.31 118.65 1jkn h LEU 158 Ca 0.16 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1jkn h LEU 158 Cb 0.00 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 1jkn h LEU 158 CO -0.07 0.42 0.14 0.28 0.09 0.00 0.00 178.44 179.30 1jkn h SER 159 N -0.14 -0.00 0.73 -0.43 0.02 0.99 2.16 113.55 116.88 1jkn h SER 159 Ca 0.02 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1jkn h SER 159 Cb 0.35 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1jkn h SER 159 CO 0.00 -0.01 -0.21 0.58 -1.14 0.00 0.00 176.83 176.06 1jkn h VAL 160 N 0.26 0.59 -0.02 2.27 2.07 -0.64 -2.77 116.25 118.02 1jkn h VAL 160 Ca 0.35 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1jkn h VAL 160 Cb 0.54 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1jkn h VAL 160 CO -0.44 0.20 -0.28 0.49 0.02 0.00 0.00 177.57 177.57 1jkn n PHE 161 N -3.48 0.00 -0.18 1.57 3.72 0.13 -4.58 117.46 114.64 1jkn n PHE 161 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1jkn n PHE 161 Cb 0.38 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 3.98 -0.01 -0.10 4.37 0.00 0.36 0.39 119.26 128.24 1jkn h ALA 162 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jkn h ALA 162 Cb 0.81 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1jkn h ALA 162 CO 0.00 -0.65 0.30 -1.00 0.00 0.00 0.00 179.25 177.90 1jkn h PRO 163 N -0.17 0.00 0.00 0.00 0.13 -1.81 0.31 132.00 130.47 1jkn h PRO 163 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1jkn h PRO 163 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1jkn h PRO 163 CO -0.63 0.00 -1.24 0.72 -0.23 0.00 0.00 178.00 176.62 1jkn n HIS 164 N -3.19 0.20 -0.12 1.56 8.25 0.12 -5.21 115.22 116.83 1jkn n HIS 164 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1jkn n HIS 164 Cb 0.39 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26