#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 0.82 -0.20 1.61 0.04 -1.26 -4.71 135.00 131.30 1jkn s PRO 2 Ca 0.00 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 61.54 1jkn s PRO 2 Cb 0.00 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.81 1jkn s PRO 2 CO 0.00 -2.49 0.24 -0.11 0.04 0.00 0.00 177.00 174.68 1jkn n LEU 3 N -4.02 -6.28 0.00 -3.56 7.94 -1.26 -5.06 117.00 104.75 1jkn n LEU 3 Ca 0.06 2.30 0.00 0.00 -1.11 0.00 0.00 56.01 57.26 1jkn n LEU 3 Cb 0.57 -3.32 0.00 0.00 0.53 0.00 0.00 43.42 41.19 1jkn n LEU 3 CO 0.57 -4.07 0.00 0.61 -1.11 0.00 0.00 177.39 173.39 1jkn n GLY 4 N 1.67 0.01 1.70 -3.96 0.00 -1.26 -5.13 105.19 98.23 1jkn n GLY 4 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1jkn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 5 N -0.41 -8.14 -3.62 1.61 7.64 -1.26 -5.01 113.62 104.44 1jkn n SER 5 Ca 0.00 1.16 -0.29 0.00 1.01 0.00 0.00 58.87 60.75 1jkn n SER 5 Cb 0.00 -4.29 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 1jkn n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jkn s MET 6 N -1.75 0.36 0.00 1.43 -1.94 0.27 -4.93 119.30 112.74 1jkn s MET 6 Ca 0.00 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1jkn s MET 6 Cb 0.00 -1.52 0.00 0.00 2.01 0.00 0.00 34.83 35.32 1jkn s MET 6 CO 0.00 -0.95 0.66 -0.40 -0.01 0.00 0.00 175.02 174.31 1jkn n ASP 7 N 5.12 0.16 -3.67 3.03 5.68 -1.26 0.19 116.55 125.80 1jkn n ASP 7 Ca -0.05 -1.48 -0.08 0.00 -0.50 0.00 0.00 54.79 52.67 1jkn n ASP 7 Cb 0.43 -0.08 -0.09 0.00 -1.14 0.00 0.00 41.12 40.24 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jkn s SER 8 N -1.04 -0.67 -0.24 -1.12 0.01 -1.26 -4.88 113.70 104.50 1jkn s SER 8 Ca 0.00 1.16 -0.29 0.00 1.31 0.00 0.00 55.95 58.13 1jkn s SER 8 Cb 0.00 1.13 -0.02 0.00 0.21 0.00 0.00 66.02 67.34 1jkn s SER 8 CO 0.00 -0.21 1.57 -2.16 0.41 0.00 0.00 173.24 172.84 1jkn s PRO 9 N 1.70 3.79 0.63 12.44 0.04 -1.26 -4.95 135.00 147.39 1jkn s PRO 9 Ca -0.09 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 1jkn s PRO 9 Cb -0.08 -4.02 0.15 0.00 0.04 0.00 0.00 34.50 30.60 1jkn s PRO 9 CO -0.16 -1.29 0.70 -2.30 0.04 0.00 0.00 177.00 173.99 1jkn n PRO 10 N 7.64 -1.46 -3.39 0.56 -0.02 -1.26 -5.05 135.00 132.02 1jkn n PRO 10 Ca 0.18 -1.09 -0.32 0.00 -2.02 0.00 0.00 63.50 60.25 1jkn n PRO 10 Cb 0.46 -0.86 -0.05 0.00 -0.02 0.00 0.00 33.50 33.02 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 -4.55 3.82 0.00 -0.52 0.41 -1.26 -4.19 118.70 112.42 1jkn s GLU 11 Ca 0.42 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.29 1jkn s GLU 11 Cb -0.02 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 1jkn s GLU 11 CO 0.31 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.79 1jkn n GLY 12 N -0.16 2.78 3.78 -1.39 0.00 -1.26 -4.97 105.19 103.97 1jkn n GLY 12 Ca 0.01 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.72 3.80 0.37 1.61 1.51 -1.26 -2.83 117.35 118.83 1jkn s TYR 13 Ca 0.00 1.39 -0.13 0.00 -1.01 0.00 0.00 57.07 57.32 1jkn s TYR 13 Cb 0.00 -2.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.13 1jkn s TYR 13 CO 0.00 0.47 0.76 0.50 -1.11 0.00 0.00 175.55 176.18 1jkn s ARG 14 N -0.78 3.88 0.06 -0.62 3.52 -1.24 -4.61 118.95 119.17 1jkn s ARG 14 Ca 0.33 0.58 -0.31 0.00 -0.13 0.00 0.00 55.73 56.20 1jkn s ARG 14 Cb -0.20 -2.40 -0.06 0.00 -1.56 0.00 0.00 34.95 30.73 1jkn s ARG 14 CO 0.21 0.04 1.24 1.03 -0.81 0.00 0.00 175.30 177.01 1jkn s ARG 15 N -3.47 4.40 0.08 5.12 1.81 -1.26 -2.12 118.95 123.51 1jkn s ARG 15 Ca 0.53 1.81 -0.17 0.00 -1.72 0.00 0.00 55.73 56.18 1jkn s ARG 15 Cb -0.10 -3.36 0.04 0.00 -0.45 0.00 0.00 34.95 31.07 1jkn s ARG 15 CO 0.25 -0.32 0.40 1.21 -0.68 0.00 0.00 175.30 176.17 1jkn s ASN 16 N 1.15 -0.26 -0.02 0.23 3.84 -1.18 -0.37 114.94 118.33 1jkn s ASN 16 Ca 0.60 -0.13 0.05 0.00 0.21 0.00 0.00 52.86 53.58 1jkn s ASN 16 Cb -0.30 0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 40.83 1jkn s ASN 16 CO 0.29 -0.74 -0.16 0.68 -2.79 0.00 0.00 177.10 174.38 1jkn s VAL 17 N -3.01 1.29 0.17 -5.21 -7.23 0.59 -2.81 120.40 104.20 1jkn s VAL 17 Ca -0.02 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1jkn s VAL 17 Cb 0.00 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 1jkn s VAL 17 CO -0.06 0.37 0.08 -0.83 -0.31 0.00 0.00 175.10 174.35 1jkn s GLY 18 N -0.19 1.71 -0.30 2.32 0.00 0.31 -1.25 107.32 109.92 1jkn s GLY 18 Ca 0.02 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1jkn s GLY 18 CO 0.00 -1.31 0.06 -0.42 0.00 0.00 0.00 173.10 171.44 1jkn s ILE 19 N -1.77 1.27 -0.58 0.90 1.09 -0.16 -2.03 121.20 119.92 1jkn s ILE 19 Ca 0.30 -1.56 -0.22 0.00 -1.10 0.00 0.00 60.65 58.07 1jkn s ILE 19 Cb -0.10 -1.89 0.06 0.00 -1.06 0.00 0.00 42.46 39.48 1jkn s ILE 19 CO 0.22 -0.56 0.84 0.00 -0.10 0.00 0.00 174.94 175.34 1jkn s LEU 21 N 3.52 4.04 0.12 0.00 2.96 -1.26 0.19 118.68 128.27 1jkn s LEU 21 Ca 0.22 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 1jkn s LEU 21 Cb -0.17 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1jkn s LEU 21 CO 0.13 0.28 -0.11 0.00 -1.32 0.00 0.00 176.35 175.33 1jkn s MET 22 N -1.72 0.98 0.56 1.98 0.23 0.30 0.12 119.30 121.76 1jkn s MET 22 Ca 0.23 -1.30 0.06 0.00 -1.03 0.00 0.00 55.69 53.65 1jkn s MET 22 Cb -0.12 -0.67 0.07 0.00 -1.53 0.00 0.00 34.83 32.57 1jkn s MET 22 CO 0.14 0.10 0.78 0.54 -2.03 0.00 0.00 175.02 174.55 1jkn s ASN 23 N -2.74 5.11 0.27 -1.18 4.22 -0.89 -1.79 114.94 117.94 1jkn s ASN 23 Ca 0.11 -0.53 0.20 0.00 -2.14 0.00 0.00 52.86 50.50 1jkn s ASN 23 Cb -0.01 -0.16 1.01 0.00 1.28 0.00 0.00 41.25 43.36 1jkn s ASN 23 CO 0.01 -1.28 1.61 -3.20 -2.04 0.00 0.00 177.10 172.20 1jkn n ASN 24 N -2.28 0.52 -0.45 3.54 4.05 -1.26 -0.67 115.26 118.71 1jkn n ASN 24 Ca 0.13 0.71 0.14 0.00 0.45 0.00 0.00 54.58 56.00 1jkn n ASN 24 Cb 0.60 -0.79 0.54 0.00 1.23 0.00 0.00 39.78 41.36 1jkn n ASN 24 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1jkn n ASP 25 N -2.17 1.40 -0.46 1.20 8.00 -1.26 -4.91 116.55 118.36 1jkn n ASP 25 Ca -0.00 -1.49 -0.05 0.00 0.71 0.00 0.00 54.79 53.96 1jkn n ASP 25 Cb 0.08 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.10 -0.35 -2.90 -1.24 5.02 0.16 -5.04 118.16 113.91 1jkn n LYS 26 Ca 0.19 0.38 -0.19 0.00 -2.02 0.00 0.00 58.31 56.67 1jkn n LYS 26 Cb 0.33 -4.12 0.04 0.00 -0.02 0.00 0.00 35.03 31.26 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 -3.55 2.52 -0.08 1.97 1.02 -1.25 -4.77 119.74 115.61 1jkn s LYS 27 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 1jkn s LYS 27 Cb 0.00 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1jkn s LYS 27 CO 0.00 -0.63 0.02 0.42 -0.92 0.00 0.00 175.35 174.25 1jkn s ILE 28 N -2.59 4.47 -0.44 2.17 -1.09 0.58 -2.09 121.20 122.21 1jkn s ILE 28 Ca 0.58 -0.23 -0.29 0.00 -2.23 0.00 0.00 60.65 58.48 1jkn s ILE 28 Cb -0.08 -2.91 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1jkn s ILE 28 CO 0.37 0.57 1.39 0.12 -1.23 0.00 0.00 174.94 176.16 1jkn s PHE 29 N -0.94 2.42 -0.09 3.97 2.19 0.33 -1.93 117.98 123.93 1jkn s PHE 29 Ca 0.15 0.65 0.03 0.00 0.33 0.00 0.00 56.93 58.08 1jkn s PHE 29 Cb -0.11 -4.34 -0.01 0.00 -1.31 0.00 0.00 43.02 37.25 1jkn s PHE 29 CO 0.04 -1.92 -0.18 0.00 1.83 0.00 0.00 175.22 174.99 1jkn s ALA 30 N 5.46 2.43 -0.06 11.12 0.00 -0.14 -4.57 121.76 136.00 1jkn s ALA 30 Ca 0.59 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1jkn s ALA 30 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1jkn s ALA 30 CO 0.32 0.35 -0.25 0.00 0.00 0.00 0.00 175.76 176.17 1jkn s ALA 31 N 0.06 2.18 0.48 0.00 0.00 0.23 0.10 121.76 124.80 1jkn s ALA 31 Ca -0.07 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1jkn s ALA 31 Cb -0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.21 1jkn s ALA 31 CO 0.05 0.42 0.91 -1.54 0.00 0.00 0.00 175.76 175.59 1jkn s SER 32 N -0.16 6.56 0.73 0.00 1.04 0.87 -0.58 113.70 122.16 1jkn s SER 32 Ca -0.04 1.39 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1jkn s SER 32 Cb -0.14 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1jkn s SER 32 CO 0.04 -0.54 1.08 -0.13 0.98 0.00 0.00 173.24 174.68 1jkn s ARG 33 N -4.07 2.53 0.00 4.02 0.52 0.42 -1.85 118.95 120.51 1jkn s ARG 33 Ca 0.56 1.14 0.25 0.00 -0.52 0.00 0.00 55.73 57.15 1jkn s ARG 33 Cb -0.10 -1.93 0.41 0.00 0.52 0.00 0.00 34.95 33.85 1jkn s ARG 33 CO 0.33 -1.43 1.35 1.28 0.02 0.00 0.00 175.30 176.84 1jkn n LEU 34 N -3.24 1.10 0.00 2.53 4.77 -0.80 -4.05 117.00 117.30 1jkn n LEU 34 Ca 0.09 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1jkn n LEU 34 Cb 0.53 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jkn n LEU 34 CO 0.53 0.22 -0.29 -0.67 -1.33 0.00 0.00 177.39 175.85 1jkn n ASP 35 N -0.85 2.92 -4.09 -1.43 -0.08 -1.26 -4.97 116.55 106.79 1jkn n ASP 35 Ca 0.09 -0.04 -0.32 0.00 -1.51 0.00 0.00 54.79 53.01 1jkn n ASP 35 Cb 0.37 0.65 -0.15 0.00 2.34 0.00 0.00 41.12 44.33 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jkn s ILE 36 N -1.24 2.25 0.19 5.18 1.01 -1.26 -5.10 121.20 122.23 1jkn s ILE 36 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 1jkn s ILE 36 Cb 0.00 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 1jkn s ILE 36 CO 0.00 0.06 1.53 -2.16 0.00 0.00 0.00 174.94 174.37 1jkn s PRO 37 N 1.15 4.23 0.00 2.79 0.04 -1.26 -1.86 135.00 140.08 1jkn s PRO 37 Ca -0.06 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1jkn s PRO 37 Cb -0.19 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.06 -0.56 0.00 -3.47 0.04 0.00 0.00 177.00 172.95 1jkn n ASP 38 N 3.55 -0.80 -4.49 6.66 -0.08 -1.26 -4.96 116.55 115.17 1jkn n ASP 38 Ca 0.12 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.98 1jkn n ASP 38 Cb 0.39 -0.47 -0.03 0.00 2.34 0.00 0.00 41.12 43.35 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 -3.19 3.03 0.15 -1.67 0.00 -0.78 -4.96 121.76 114.34 1jkn s ALA 39 Ca 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.06 1jkn s ALA 39 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 1jkn s ALA 39 CO 0.00 -3.02 0.24 -1.58 0.00 0.00 0.00 175.76 171.40 1jkn s TRP 40 N 4.32 3.39 0.12 0.00 0.52 -1.26 0.16 118.94 126.18 1jkn s TRP 40 Ca 0.29 0.08 -0.25 0.00 0.02 0.00 0.00 56.10 56.24 1jkn s TRP 40 Cb -0.11 -1.62 0.08 0.00 -1.15 0.00 0.00 33.47 30.67 1jkn s TRP 40 CO 0.06 0.52 1.06 1.14 0.02 0.00 0.00 176.95 179.75 1jkn s GLN 41 N -3.18 1.05 0.27 4.98 -2.07 0.25 -4.52 119.66 116.44 1jkn s GLN 41 Ca 0.33 -0.62 0.05 0.00 -1.82 0.00 0.00 55.36 53.30 1jkn s GLN 41 Cb -0.11 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 1jkn s GLN 41 CO 0.27 -0.48 0.41 -1.64 -1.32 0.00 0.00 175.29 172.52 1jkn s MET 42 N -2.71 3.37 0.18 9.60 -1.94 -1.26 -0.60 119.30 125.93 1jkn s MET 42 Ca 0.16 -0.76 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 1jkn s MET 42 Cb -0.01 -2.85 -0.08 0.00 2.01 0.00 0.00 34.83 33.91 1jkn s MET 42 CO 0.02 0.31 1.27 -1.25 -0.01 0.00 0.00 175.02 175.36 1jkn s PRO 43 N -4.07 4.42 0.06 2.03 0.04 -1.26 -4.95 135.00 131.28 1jkn s PRO 43 Ca 0.37 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1jkn s PRO 43 Cb -0.09 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.26 1jkn s PRO 43 CO 0.30 -0.21 0.44 1.14 0.04 0.00 0.00 177.00 178.71 1jkn s GLN 44 N 0.04 0.98 -0.18 4.56 1.03 -1.26 -0.99 119.66 123.84 1jkn s GLN 44 Ca 0.56 -0.40 -0.26 0.00 0.04 0.00 0.00 55.36 55.30 1jkn s GLN 44 Cb -0.35 0.44 0.07 0.00 0.03 0.00 0.00 33.01 33.20 1jkn s GLN 44 CO 0.36 -0.35 0.68 0.20 -2.54 0.00 0.00 175.29 173.64 1jkn s GLY 45 N -2.16 -0.53 0.45 2.60 0.00 -0.38 -4.91 107.32 102.38 1jkn s GLY 45 Ca -0.04 1.71 -0.25 0.00 0.00 0.00 0.00 44.72 46.15 1jkn s GLY 45 CO -0.04 1.41 1.25 0.61 0.00 0.00 0.00 173.10 176.33 1jkn n GLY 46 N 2.07 0.48 3.84 0.20 0.00 -1.26 -0.30 105.19 110.22 1jkn n GLY 46 Ca -0.16 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1jkn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkn s ILE 47 N -1.23 4.12 0.75 -0.61 1.01 0.51 -4.72 121.20 121.02 1jkn s ILE 47 Ca 0.63 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 61.94 1jkn s ILE 47 Cb -0.49 -3.52 0.13 0.00 0.01 0.00 0.00 42.46 38.59 1jkn s ILE 47 CO 0.56 -0.90 1.03 -1.81 0.00 0.00 0.00 174.94 173.83 1jkn s ASP 48 N -3.96 4.21 -0.67 3.58 1.01 -1.26 -4.86 116.67 114.72 1jkn s ASP 48 Ca 0.57 -0.26 -0.26 0.00 0.71 0.00 0.00 52.55 53.31 1jkn s ASP 48 Cb -0.13 -0.08 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1jkn s ASP 48 CO 0.54 -1.96 1.69 -1.61 0.21 0.00 0.00 175.17 174.05 1jkn s GLU 49 N -5.24 2.80 -0.27 8.23 0.41 -1.26 -3.03 118.70 120.34 1jkn s GLU 49 Ca 0.67 0.29 -0.01 0.00 -0.41 0.00 0.00 54.97 55.51 1jkn s GLU 49 Cb -0.05 -4.39 0.00 0.00 -1.78 0.00 0.00 34.13 27.91 1jkn s GLU 49 CO 0.45 -2.59 0.23 0.41 -0.49 0.00 0.00 175.26 173.27 1jkn n GLY 50 N 5.69 0.37 3.64 -1.39 0.00 -1.26 -5.06 105.19 107.19 1jkn n GLY 50 Ca 0.17 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.59 2.44 -0.03 1.61 2.56 -1.17 -5.09 118.70 114.42 1jkn s GLU 51 Ca 0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 54.97 53.85 1jkn s GLU 51 Cb -0.02 -2.47 -0.04 0.00 2.00 0.00 0.00 34.13 33.60 1jkn s GLU 51 CO 0.16 0.55 1.22 -0.51 -0.56 0.00 0.00 175.26 176.11 1jkn s ASP 52 N -2.06 7.04 0.42 -1.70 1.01 -1.26 -4.82 116.67 115.30 1jkn s ASP 52 Ca 0.22 1.88 0.16 0.00 0.71 0.00 0.00 52.55 55.52 1jkn s ASP 52 Cb -0.11 -2.56 1.06 0.00 1.01 0.00 0.00 42.92 42.32 1jkn s ASP 52 CO 0.14 -0.57 1.89 -0.65 0.21 0.00 0.00 175.17 176.19 1jkn h PRO 53 N 7.37 0.41 0.00 8.23 0.11 -1.98 0.67 132.00 146.81 1jkn h PRO 53 Ca -0.36 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1jkn h PRO 53 CO 0.87 0.27 -0.42 -0.09 -0.21 0.00 0.00 178.00 178.42 1jkn h ARG 54 N 0.42 0.00 0.07 1.05 1.12 -1.99 -2.70 114.38 112.35 1jkn h ARG 54 Ca 0.42 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 59.03 1jkn h ARG 54 Cb 0.99 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.93 1jkn h ARG 54 CO -0.14 0.42 -1.37 -0.91 -3.11 0.00 0.00 179.97 174.85 1jkn h ASN 55 N 0.00 0.24 -0.17 -3.80 2.35 -1.07 -3.01 115.58 110.12 1jkn h ASN 55 Ca -0.00 -0.77 0.02 0.00 -0.55 0.00 0.00 56.30 55.00 1jkn h ASN 55 Cb 1.16 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1jkn h ASN 55 CO 0.05 1.58 0.12 0.00 -1.65 0.00 0.00 177.43 177.53 1jkn h ALA 56 N -0.17 1.99 0.08 -0.83 0.00 0.09 1.00 119.26 121.43 1jkn h ALA 56 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jkn h ALA 56 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1jkn h ALA 56 CO -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 1jkn h ALA 57 N 1.90 -0.11 -0.46 0.00 0.00 -1.60 0.60 119.26 119.59 1jkn h ALA 57 Ca 0.07 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1jkn h ALA 57 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jkn h ALA 57 CO -0.01 -0.22 0.32 0.82 0.00 0.00 0.00 179.25 180.15 1jkn h ILE 58 N -0.79 0.85 0.03 0.00 2.04 -1.30 0.48 117.51 118.81 1jkn h ILE 58 Ca -0.01 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1jkn h ILE 58 Cb 0.59 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1jkn h ILE 58 CO 0.02 0.03 -0.01 -0.09 0.00 0.00 0.00 178.15 178.10 1jkn h ARG 59 N 0.16 -0.03 -0.81 2.37 2.43 -0.78 -3.32 114.38 114.40 1jkn h ARG 59 Ca 0.21 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.51 1jkn h ARG 59 Cb 0.64 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1jkn h ARG 59 CO -0.03 0.57 0.53 0.93 -1.51 0.00 0.00 179.97 180.46 1jkn h GLU 60 N -0.96 0.60 0.15 0.20 4.39 0.92 -2.38 114.58 117.50 1jkn h GLU 60 Ca -0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1jkn h GLU 60 Cb 0.62 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1jkn h GLU 60 CO 0.01 0.40 -0.24 1.25 -1.16 0.00 0.00 179.01 179.26 1jkn h LEU 61 N 0.62 -0.67 -0.45 1.33 5.85 -0.17 0.18 115.31 122.00 1jkn h LEU 61 Ca 0.39 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1jkn h LEU 61 Cb 0.66 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1jkn h LEU 61 CO -0.16 -0.33 0.00 0.54 -0.34 0.00 0.00 178.44 178.15 1jkn n ARG 62 N -5.36 0.05 -0.03 1.25 1.74 -0.92 0.76 116.66 114.16 1jkn n ARG 62 Ca -0.07 0.50 -0.21 0.00 -0.77 0.00 0.00 57.85 57.29 1jkn n ARG 62 Cb 0.27 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 29.92 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jkn n GLU 63 N -1.77 0.72 -0.02 5.56 1.02 0.33 0.10 120.64 126.58 1jkn n GLU 63 Ca 0.00 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 1jkn n GLU 63 Cb 0.05 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.59 0.65 -0.00 3.49 4.71 0.37 -3.62 120.64 122.64 1jkn n GLU 64 Ca -0.34 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1jkn n GLU 64 Cb 0.99 -1.78 -0.00 0.00 -1.01 0.00 0.00 31.44 29.64 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1jkn n THR 65 N -3.09 0.01 -1.00 2.62 -2.24 0.23 -4.44 114.28 106.36 1jkn n THR 65 Ca -0.19 -0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1jkn n THR 65 Cb 1.05 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 2.67 0.26 3.65 3.38 0.00 -0.03 -0.14 105.19 114.98 1jkn n GLY 66 Ca -0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1jkn n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkn s VAL 67 N -1.50 3.76 -0.16 1.61 1.01 -1.26 -4.55 120.40 119.32 1jkn s VAL 67 Ca 0.00 0.91 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1jkn s VAL 67 Cb 0.00 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.53 1jkn s VAL 67 CO 0.00 -0.12 0.22 0.35 0.00 0.00 0.00 175.10 175.55 1jkn n THR 68 N 5.62 1.54 -2.88 3.92 -2.24 -1.26 -4.25 114.28 114.73 1jkn n THR 68 Ca 0.17 -0.74 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 1jkn n THR 68 Cb 0.44 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 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 -3.07 5.23 -3.72 3.42 7.64 -1.26 -4.91 113.62 116.95 1jkn n SER 69 Ca -0.31 -3.00 -0.12 0.00 1.01 0.00 0.00 58.87 56.45 1jkn n SER 69 Cb 1.07 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 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 1.22 -0.84 0.01 -0.43 0.00 -1.26 0.98 121.76 121.44 1jkn s ALA 70 Ca 0.42 1.25 0.09 0.00 0.00 0.00 0.00 51.96 53.71 1jkn s ALA 70 Cb -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1jkn s ALA 70 CO 0.00 -0.23 -0.26 -1.83 0.00 0.00 0.00 175.76 173.44 1jkn s GLU 71 N 1.17 1.98 -0.18 0.00 -1.05 -0.24 -4.85 118.70 115.53 1jkn s GLU 71 Ca -0.08 -1.01 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 1jkn s GLU 71 Cb -0.08 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1jkn s GLU 71 CO -0.09 0.54 1.52 0.08 0.95 0.00 0.00 175.26 178.26 1jkn s VAL 72 N -0.70 3.83 -0.12 1.83 1.01 -1.25 0.22 120.40 125.23 1jkn s VAL 72 Ca 0.11 0.97 0.17 0.00 0.00 0.00 0.00 61.98 63.23 1jkn s VAL 72 Cb -0.10 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 1jkn s VAL 72 CO 0.00 -0.23 0.76 -0.38 0.00 0.00 0.00 175.10 175.25 1jkn n ILE 73 N 5.98 1.19 -3.84 2.22 5.41 0.31 -4.88 119.36 125.76 1jkn n ILE 73 Ca 0.17 -0.70 -0.07 0.00 1.00 0.00 0.00 62.75 63.14 1jkn n ILE 73 Cb 0.45 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.63 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jkn s ALA 74 N -2.90 -1.18 -0.21 -1.39 0.00 -1.15 -4.95 121.76 110.00 1jkn s ALA 74 Ca -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 1jkn s ALA 74 Cb 0.09 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.18 1jkn s ALA 74 CO 0.82 -1.01 0.31 -1.83 0.00 0.00 0.00 175.76 174.04 1jkn s GLU 75 N -3.92 0.26 0.06 0.00 -1.05 -1.26 0.71 118.70 113.50 1jkn s GLU 75 Ca 0.11 0.47 -0.32 0.00 -0.15 0.00 0.00 54.97 55.08 1jkn s GLU 75 Cb -0.05 -0.64 -0.11 0.00 -0.44 0.00 0.00 34.13 32.89 1jkn s GLU 75 CO 0.06 -0.57 1.83 0.28 0.95 0.00 0.00 175.26 177.80 1jkn n VAL 76 N 5.35 0.43 1.24 1.83 0.31 0.92 -4.86 118.33 123.55 1jkn n VAL 76 Ca -0.05 -0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.32 1jkn n VAL 76 Cb 0.50 -1.98 0.64 0.00 -0.91 0.00 0.00 33.84 32.08 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 5.83 0.47 -4.50 5.55 -0.04 -1.26 -4.55 135.00 136.50 1jkn n PRO 77 Ca 0.19 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 1jkn n PRO 77 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.40 1.03 0.38 0.54 -0.85 -1.26 -4.72 117.35 110.07 1jkn s TYR 78 Ca 0.27 -0.20 -0.25 0.00 -0.52 0.00 0.00 57.07 56.37 1jkn s TYR 78 Cb 0.16 -0.67 -0.09 0.00 0.38 0.00 0.00 41.96 41.74 1jkn s TYR 78 CO 0.34 -0.03 1.05 -1.58 -1.52 0.00 0.00 175.55 173.81 1jkn s TRP 79 N -0.21 3.33 -0.25 -3.49 0.52 0.51 -4.51 118.94 114.84 1jkn s TRP 79 Ca 0.03 1.66 -0.04 0.00 0.02 0.00 0.00 56.10 57.77 1jkn s TRP 79 Cb -0.05 -3.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.13 1jkn s TRP 79 CO -0.00 -0.58 -0.00 -0.51 0.02 0.00 0.00 176.95 175.88 1jkn s LEU 80 N -2.44 3.26 -0.14 2.99 1.43 0.61 0.96 118.68 125.34 1jkn s LEU 80 Ca 0.56 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1jkn s LEU 80 Cb -0.23 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1jkn s LEU 80 CO 0.29 -0.09 -0.03 0.42 0.23 0.00 0.00 176.35 177.17 1jkn s THR 81 N 1.46 3.99 0.25 5.49 -4.23 -1.26 -2.35 115.64 119.00 1jkn s THR 81 Ca 0.04 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1jkn s THR 81 Cb -0.16 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 1jkn s THR 81 CO -0.01 0.51 -0.00 -0.72 -0.54 0.00 0.00 174.62 173.86 1jkn s TYR 82 N 0.14 1.69 0.23 3.99 1.13 -1.25 -4.98 117.35 118.30 1jkn s TYR 82 Ca -0.01 -0.90 0.10 0.00 -1.41 0.00 0.00 57.07 54.86 1jkn s TYR 82 Cb -0.13 -1.00 -0.05 0.00 -1.10 0.00 0.00 41.96 39.68 1jkn s TYR 82 CO 0.03 0.01 -0.19 0.16 -2.51 0.00 0.00 175.55 173.05 1jkn s ASP 83 N -3.36 3.19 0.16 -0.18 1.47 -1.26 -3.25 116.67 113.44 1jkn s ASP 83 Ca 0.30 -0.98 0.08 0.00 1.18 0.00 0.00 52.55 53.14 1jkn s ASP 83 Cb 0.06 -0.23 -0.04 0.00 -0.34 0.00 0.00 42.92 42.36 1jkn s ASP 83 CO 0.10 -0.01 -0.08 -0.36 0.68 0.00 0.00 175.17 175.51 1jkn s PHE 84 N -2.41 2.70 1.16 2.11 0.08 -1.25 -4.90 117.98 115.47 1jkn s PHE 84 Ca 0.25 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.97 1jkn s PHE 84 Cb -0.05 -1.34 0.28 0.00 -0.57 0.00 0.00 43.02 41.34 1jkn s PHE 84 CO 0.11 0.49 1.03 -1.25 -0.10 0.00 0.00 175.22 175.50 1jkn s PRO 85 N -2.67 -0.89 0.46 0.24 0.04 -1.26 -4.40 135.00 126.52 1jkn s PRO 85 Ca 0.24 0.65 0.31 0.00 0.04 0.00 0.00 61.00 62.24 1jkn s PRO 85 Cb -0.10 -1.57 1.57 0.00 0.04 0.00 0.00 34.50 34.45 1jkn s PRO 85 CO 0.15 -3.66 1.95 -1.00 0.04 0.00 0.00 177.00 174.49 1jkn h PRO 86 N -2.57 0.00 0.04 0.56 0.13 -2.00 0.54 132.00 128.70 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 32.43 1jkn h PRO 86 CO 0.51 0.00 -1.88 1.63 -0.23 0.00 0.00 178.00 178.02 1jkn n LYS 87 N -2.66 0.68 -0.05 0.86 5.02 -1.26 -3.02 118.16 117.72 1jkn n LYS 87 Ca -0.01 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.37 1jkn n LYS 87 Cb 0.13 -1.74 -0.13 0.00 -0.02 0.00 0.00 35.03 33.27 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 1.49 -0.43 -0.18 2.07 -1.75 -2.06 116.25 115.42 1jkn h VAL 88 Ca -0.36 -2.34 0.03 0.00 0.82 0.00 0.00 66.70 64.84 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 0.57 0.23 -0.09 0.02 0.00 0.00 177.57 178.37 1jkn h ARG 89 N -0.85 0.45 0.00 1.57 2.43 -0.15 0.72 114.38 118.56 1jkn h ARG 89 Ca -0.13 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1jkn h ARG 89 Cb 1.23 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1jkn h ARG 89 CO -0.02 0.30 -0.29 1.49 -1.51 0.00 0.00 179.97 179.94 1jkn h GLU 90 N 0.47 0.00 0.04 0.20 4.81 -1.67 -2.07 114.58 116.36 1jkn h GLU 90 Ca 0.18 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1jkn h GLU 90 Cb 0.06 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1jkn h GLU 90 CO -0.11 0.29 -0.43 -0.22 -0.73 0.00 0.00 179.01 177.82 1jkn h LYS 91 N 0.00 0.22 -0.40 1.92 3.11 -0.39 -3.32 116.57 117.71 1jkn h LYS 91 Ca -0.00 -0.29 0.02 0.00 -2.81 0.00 0.00 60.65 57.57 1jkn h LYS 91 Cb 0.62 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.91 1jkn h LYS 91 CO 0.04 1.06 0.22 -0.07 -2.81 0.00 0.00 179.45 177.89 1jkn h LEU 92 N -0.49 0.34 -1.81 5.20 3.38 0.49 0.63 115.31 123.04 1jkn h LEU 92 Ca -0.07 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.30 1jkn h LEU 92 Cb 1.25 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 1jkn h LEU 92 CO 0.08 0.25 0.92 0.78 0.09 0.00 0.00 178.44 180.56 1jkn h ASN 93 N 0.44 0.11 0.00 -0.43 -0.26 -1.47 1.71 115.58 115.68 1jkn h ASN 93 Ca 0.16 0.03 -0.39 0.00 -0.56 0.00 0.00 56.30 55.55 1jkn h ASN 93 Cb 0.04 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 1jkn h ASN 93 CO -0.09 -0.01 -2.12 -0.38 -1.06 0.00 0.00 177.43 173.76 1jkn n ILE 94 N -4.28 1.54 0.20 2.81 5.41 -0.49 -2.78 119.36 121.77 1jkn n ILE 94 Ca 0.31 -0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 1jkn n ILE 94 Cb 1.35 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 38.30 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 -0.93 -0.53 0.03 0.38 -0.00 0.11 -3.29 115.11 110.89 1jkn h GLN 95 Ca -0.58 0.04 -0.22 0.00 -0.00 0.00 0.00 58.65 57.88 1jkn h GLN 95 Cb 1.54 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 29.14 1jkn h GLN 95 CO -0.33 -0.22 -0.99 -1.49 0.00 0.00 0.00 178.83 175.81 1jkn h TRP 96 N -0.92 0.37 -0.92 3.99 4.06 0.21 -3.48 115.95 119.26 1jkn h TRP 96 Ca -0.06 -0.23 -0.03 0.00 2.06 0.00 0.00 58.89 60.64 1jkn h TRP 96 Cb 0.55 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1jkn h TRP 96 CO 0.02 1.08 -0.05 0.41 -3.56 0.00 0.00 178.44 176.34 1jkn n GLY 97 N 1.09 0.63 3.21 1.49 0.00 0.11 -4.98 105.19 106.74 1jkn n GLY 97 Ca -0.05 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 2.08 -0.53 1.61 0.01 -1.24 -4.98 113.70 107.67 1jkn s SER 98 Ca 0.03 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb -0.01 -0.13 0.47 0.00 0.21 0.00 0.00 66.02 66.56 1jkn s SER 98 CO 0.03 0.05 1.77 -0.90 0.41 0.00 0.00 173.24 174.60 1jkn n ASP 99 N 1.56 6.38 -4.89 2.44 5.68 -1.26 -3.78 116.55 122.68 1jkn n ASP 99 Ca -0.19 -3.77 -0.31 0.00 -0.50 0.00 0.00 54.79 50.02 1jkn n ASP 99 Cb 0.54 -0.78 -0.05 0.00 -1.14 0.00 0.00 41.12 39.69 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1jkn s TRP 100 N -3.70 3.45 -0.01 2.11 0.52 -1.26 -5.00 118.94 115.05 1jkn s TRP 100 Ca 0.59 0.70 0.13 0.00 0.02 0.00 0.00 56.10 57.54 1jkn s TRP 100 Cb 0.47 -2.12 0.05 0.00 -1.15 0.00 0.00 33.47 30.73 1jkn s TRP 100 CO 0.01 0.34 1.43 0.87 0.02 0.00 0.00 176.95 179.62 1jkn h LYS 101 N 2.60 0.00 0.00 4.98 6.56 -1.90 -3.49 116.57 125.32 1jkn h LYS 101 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jkn h LYS 101 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.71 0.66 0.00 0.41 -2.06 0.00 0.00 179.45 179.16 1jkn n GLY 102 N 1.12 2.54 3.27 3.86 0.00 -1.26 -3.93 105.19 110.79 1jkn n GLY 102 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 4.85 0.52 -0.54 1.61 -2.07 -1.20 -3.64 119.66 119.19 1jkn s GLN 103 Ca 0.00 1.07 -0.23 0.00 -1.82 0.00 0.00 55.36 54.38 1jkn s GLN 103 Cb 0.00 0.48 0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1jkn s GLN 103 CO 0.00 -0.47 0.86 0.00 -1.32 0.00 0.00 175.29 174.36 1jkn s ALA 104 N 2.80 3.22 0.06 2.60 0.00 -0.90 -3.82 121.76 125.72 1jkn s ALA 104 Ca 0.10 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1jkn s ALA 104 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 1jkn s ALA 104 CO -0.19 -2.28 -0.12 1.14 0.00 0.00 0.00 175.76 174.31 1jkn s GLN 105 N 3.62 0.71 0.22 0.00 1.03 -0.99 -3.09 119.66 121.16 1jkn s GLN 105 Ca 0.27 -0.89 0.01 0.00 0.04 0.00 0.00 55.36 54.79 1jkn s GLN 105 Cb -0.14 -0.62 -0.04 0.00 0.03 0.00 0.00 33.01 32.25 1jkn s GLN 105 CO 0.18 0.13 0.38 0.15 -2.54 0.00 0.00 175.29 173.59 1jkn s LYS 106 N -1.73 3.48 -0.01 9.60 1.02 -1.12 -0.29 119.74 130.68 1jkn s LYS 106 Ca -0.05 -0.48 0.08 0.00 0.02 0.00 0.00 55.97 55.54 1jkn s LYS 106 Cb -0.10 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1jkn s LYS 106 CO 0.01 0.40 -0.25 -1.58 -0.92 0.00 0.00 175.35 173.01 1jkn s TRP 107 N -1.93 2.24 -0.08 3.18 0.52 -1.26 0.11 118.94 121.72 1jkn s TRP 107 Ca 0.37 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1jkn s TRP 107 Cb -0.10 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 1jkn s TRP 107 CO 0.30 -0.03 -0.20 -0.06 0.02 0.00 0.00 176.95 176.99 1jkn s PHE 108 N -0.60 2.10 0.15 -1.98 0.40 -0.86 -0.06 117.98 117.13 1jkn s PHE 108 Ca 0.10 -0.79 -0.30 0.00 -0.60 0.00 0.00 56.93 55.34 1jkn s PHE 108 Cb -0.10 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.94 1jkn s PHE 108 CO -0.01 -0.32 0.98 -1.17 0.70 0.00 0.00 175.22 175.40 1jkn s LEU 109 N 0.35 4.53 -0.06 -0.37 2.96 0.22 0.09 118.68 126.40 1jkn s LEU 109 Ca -0.14 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1jkn s LEU 109 Cb -0.16 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jkn s LEU 109 CO 0.06 -0.05 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.53 1jkn s PHE 110 N -0.26 1.67 -0.26 5.38 0.40 0.51 0.12 117.98 125.53 1jkn s PHE 110 Ca 0.46 -0.59 -0.17 0.00 -0.60 0.00 0.00 56.93 56.04 1jkn s PHE 110 Cb -0.25 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1jkn s PHE 110 CO 0.31 -0.26 0.45 0.21 0.70 0.00 0.00 175.22 176.63 1jkn s LYS 111 N 0.43 4.05 -0.03 0.44 2.20 0.60 -0.54 119.74 126.89 1jkn s LYS 111 Ca -0.12 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.40 1jkn s LYS 111 Cb -0.15 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 1jkn s LYS 111 CO 0.04 -0.31 1.52 0.12 -0.36 0.00 0.00 175.35 176.36 1jkn s PHE 112 N 2.18 2.44 -0.26 4.03 5.36 -0.74 -1.08 117.98 129.92 1jkn s PHE 112 Ca 0.19 0.52 0.11 0.00 -0.96 0.00 0.00 56.93 56.79 1jkn s PHE 112 Cb -0.16 -3.78 0.46 0.00 -0.34 0.00 0.00 43.02 39.20 1jkn s PHE 112 CO 0.09 -3.11 1.18 0.25 -1.46 0.00 0.00 175.22 172.18 1jkn n THR 113 N 5.09 2.17 -0.95 0.12 -2.24 0.28 -4.74 114.28 114.01 1jkn n THR 113 Ca 0.15 -3.71 0.00 0.00 -2.27 0.00 0.00 64.05 58.22 1jkn n THR 113 Cb 0.43 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.71 5.53 3.23 3.38 0.00 -1.21 -4.77 105.19 110.64 1jkn n GLY 114 Ca 0.32 -1.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 3.58 1.00 0.50 1.61 -0.21 -1.26 -5.00 119.66 119.87 1jkn s GLN 115 Ca 0.00 -1.21 0.15 0.00 0.02 0.00 0.00 55.36 54.32 1jkn s GLN 115 Cb 0.00 -0.89 0.82 0.00 1.00 0.00 0.00 33.01 33.94 1jkn s GLN 115 CO 0.00 0.17 1.39 -0.44 -2.12 0.00 0.00 175.29 174.29 1jkn h ASP 116 N 3.58 0.00 1.12 5.90 5.19 -2.02 0.82 116.42 131.02 1jkn h ASP 116 Ca -0.40 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.95 1jkn h ASP 116 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1jkn h ASP 116 CO 0.50 0.00 -0.30 1.56 -3.12 0.00 0.00 179.24 177.88 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 7.50 -2.04 -2.97 115.11 121.16 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1jkn h GLN 117 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.48 1jkn h GLN 117 CO 0.00 0.30 -0.47 1.49 -1.50 0.00 0.00 178.83 178.65 1jkn h GLU 118 N 0.00 0.00 -6.01 1.46 4.57 0.30 -3.42 114.58 111.48 1jkn h GLU 118 Ca -0.00 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.67 1jkn h GLU 118 Cb 0.94 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1jkn h GLU 118 CO 0.04 0.47 1.35 0.42 -1.18 0.00 0.00 179.01 180.12 1jkn s ILE 119 N -3.34 3.36 -0.39 2.32 1.01 -1.12 -4.03 121.20 119.02 1jkn s ILE 119 Ca 0.01 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1jkn s ILE 119 Cb 0.10 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.83 1jkn s ILE 119 CO 0.72 -0.79 0.14 0.54 0.00 0.00 0.00 174.94 175.55 1jkn s ASN 120 N 7.98 4.25 0.62 3.58 4.22 0.81 -4.97 114.94 131.43 1jkn s ASN 120 Ca 0.70 -2.27 0.32 0.00 -2.14 0.00 0.00 52.86 49.47 1jkn s ASN 120 Cb -0.14 -1.30 1.73 0.00 1.28 0.00 0.00 41.25 42.82 1jkn s ASN 120 CO 0.23 -0.34 1.96 -0.07 -2.04 0.00 0.00 177.10 176.84 1jkn h LEU 121 N 7.35 0.00 0.65 3.54 3.38 -1.76 -2.37 115.31 126.10 1jkn h LEU 121 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 121 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.53 0.00 -0.44 -0.07 0.09 0.00 0.00 178.44 178.55 1jkn h LEU 122 N 0.00 -1.12 0.00 1.67 3.38 -1.84 -3.37 115.31 114.03 1jkn h LEU 122 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 122 Cb 0.45 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1jkn h LEU 122 CO 0.00 -0.66 0.00 0.61 0.09 0.00 0.00 178.44 178.48 1jkn n GLY 123 N -1.56 1.15 1.86 0.83 0.00 -0.90 -3.67 105.19 102.89 1jkn n GLY 123 Ca -0.13 -1.96 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 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 6.13 -1.80 1.61 5.75 0.29 -4.73 116.55 123.80 1jkn n ASP 124 Ca 0.00 -3.04 -0.17 0.00 -0.01 0.00 0.00 54.79 51.57 1jkn n ASP 124 Cb 0.00 -1.01 -0.02 0.00 -1.03 0.00 0.00 41.12 39.06 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 0.26 0.02 0.54 6.12 0.00 -1.26 -4.89 105.19 105.97 1jkn n GLY 125 Ca 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.11 0.87 -4.86 1.61 7.64 -1.26 -5.08 113.62 111.43 1jkn n SER 126 Ca -0.19 0.13 -0.21 0.00 1.01 0.00 0.00 58.87 59.61 1jkn n SER 126 Cb 0.63 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jkn s GLU 127 N -1.83 2.76 0.58 1.43 2.02 -1.26 -5.11 118.70 117.29 1jkn s GLU 127 Ca -0.08 -1.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 1jkn s GLU 127 Cb 0.01 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1jkn s GLU 127 CO 0.12 0.09 1.10 -1.59 0.02 0.00 0.00 175.26 175.01 1jkn s LYS 128 N -4.01 3.23 1.09 1.61 -2.85 -1.26 -4.70 119.74 112.85 1jkn s LYS 128 Ca 0.41 1.45 -0.21 0.00 -1.00 0.00 0.00 55.97 56.63 1jkn s LYS 128 Cb -0.06 -2.00 0.03 0.00 -2.06 0.00 0.00 37.83 33.74 1jkn s LYS 128 CO 0.27 -0.92 -0.35 -2.30 0.10 0.00 0.00 175.35 172.15 1jkn n PRO 129 N -1.72 -1.16 0.00 1.78 -0.02 -1.24 -4.94 135.00 127.69 1jkn n PRO 129 Ca 0.10 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1jkn n PRO 129 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.94 0.00 -4.12 -0.52 -0.58 -1.26 -5.06 120.64 108.15 1jkn n GLU 130 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1jkn n GLU 130 Cb 0.65 -0.12 -0.05 0.00 -0.57 0.00 0.00 31.44 31.35 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 -1.52 3.10 -0.03 -0.32 0.08 -1.26 -1.90 117.98 116.13 1jkn s PHE 131 Ca 0.00 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 56.98 1jkn s PHE 131 Cb 0.00 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 40.99 1jkn s PHE 131 CO 0.00 0.53 0.09 0.41 -0.10 0.00 0.00 175.22 176.15 1jkn n GLY 132 N -1.06 -0.07 3.60 4.36 0.00 -0.77 -4.70 105.19 106.56 1jkn n GLY 132 Ca -0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.15 1.85 0.04 1.61 0.41 -1.25 -5.00 118.70 114.21 1jkn s GLU 133 Ca -0.01 -1.49 -0.26 0.00 -0.41 0.00 0.00 54.97 52.80 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.94 1jkn s GLU 133 CO 0.16 -0.79 0.61 1.67 -0.49 0.00 0.00 175.26 176.42 1jkn s TRP 134 N -3.26 -0.56 0.15 1.61 1.48 -1.26 -0.09 118.94 117.01 1jkn s TRP 134 Ca 0.24 0.70 -0.13 0.00 -1.06 0.00 0.00 56.10 55.84 1jkn s TRP 134 Cb -0.02 0.44 0.02 0.00 -1.16 0.00 0.00 33.47 32.75 1jkn s TRP 134 CO 0.14 -0.70 0.37 -1.12 -4.06 0.00 0.00 176.95 171.58 1jkn s SER 135 N -1.91 -0.11 -0.20 -2.66 0.01 0.28 -4.96 113.70 104.15 1jkn s SER 135 Ca -0.06 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.54 1jkn s SER 135 Cb -0.01 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 1jkn s SER 135 CO -0.01 -0.89 0.18 0.26 0.41 0.00 0.00 173.24 173.19 1jkn s TRP 136 N -3.87 3.41 0.04 2.43 0.52 -1.26 -0.97 118.94 119.25 1jkn s TRP 136 Ca 0.08 0.39 -0.00 0.00 0.02 0.00 0.00 56.10 56.59 1jkn s TRP 136 Cb 0.02 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 1jkn s TRP 136 CO -0.07 0.25 -0.04 0.14 0.02 0.00 0.00 176.95 177.26 1jkn s VAL 137 N 0.48 0.24 0.56 4.03 -7.23 -0.81 -4.84 120.40 112.84 1jkn s VAL 137 Ca 0.10 -1.49 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 1jkn s VAL 137 Cb -0.12 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1jkn s VAL 137 CO 0.00 -0.79 1.06 0.42 -0.31 0.00 0.00 175.10 175.48 1jkn s THR 138 N -2.95 3.69 0.65 5.32 -4.23 -1.26 0.22 115.64 117.08 1jkn s THR 138 Ca -0.01 0.89 0.22 0.00 -1.18 0.00 0.00 61.69 61.61 1jkn s THR 138 Cb 0.01 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.71 1jkn s THR 138 CO -0.06 -0.39 1.65 1.55 -0.54 0.00 0.00 174.62 176.83 1jkn h PRO 139 N 0.79 0.00 0.05 3.99 0.13 -1.90 0.76 132.00 135.82 1jkn h PRO 139 Ca -0.48 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 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 0.58 0.00 -1.83 0.39 -0.23 0.00 0.00 178.00 176.90 1jkn n GLU 140 N -2.89 0.68 0.01 0.86 -0.58 -1.26 -3.61 120.64 113.85 1jkn n GLU 140 Ca 0.01 0.28 -0.13 0.00 -0.42 0.00 0.00 57.16 56.90 1jkn n GLU 140 Cb 0.62 -1.76 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.03 -0.05 -0.93 3.49 1.08 0.12 -2.79 115.11 116.07 1jkn h GLN 141 Ca -0.34 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.06 1jkn h GLN 141 Cb 2.03 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 29.39 1jkn h GLN 141 CO 0.08 0.43 0.60 1.25 -0.95 0.00 0.00 178.83 180.24 1jkn h LEU 142 N -0.56 0.50 -1.77 1.46 7.12 -1.26 1.18 115.31 121.98 1jkn h LEU 142 Ca -0.01 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.03 1jkn h LEU 142 Cb 0.51 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1jkn h LEU 142 CO 0.01 0.20 -0.14 0.40 -0.13 0.00 0.00 178.44 178.78 1jkn h ILE 143 N 0.50 1.01 0.00 4.05 1.08 -1.58 0.29 117.51 122.85 1jkn h ILE 143 Ca 0.49 -0.49 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1jkn h ILE 143 Cb 1.10 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1jkn h ILE 143 CO -0.22 0.14 -0.25 0.44 -0.69 0.00 0.00 178.15 177.57 1jkn h ASP 144 N 0.00 0.00 0.26 1.72 5.19 0.17 -3.26 116.42 120.49 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 1jkn h ASP 144 Cb 0.26 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.78 1jkn h ASP 144 CO 0.02 0.20 -1.66 -0.07 -3.12 0.00 0.00 179.24 174.61 1jkn h LEU 145 N 0.00 0.62-10.14 1.55 3.38 0.01 -3.47 115.31 107.26 1jkn h LEU 145 Ca -0.00 -0.86 -0.47 0.00 0.09 0.00 0.00 57.88 56.64 1jkn h LEU 145 Cb 1.16 -0.20 0.21 0.00 0.09 0.00 0.00 40.66 41.92 1jkn h LEU 145 CO 0.03 1.71 -0.00 0.41 0.09 0.00 0.00 178.44 180.67 1jkn n THR 146 N -3.59 0.00 -3.69 0.22 -1.04 0.84 -4.52 114.28 102.50 1jkn n THR 146 Ca -0.22 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.05 61.29 1jkn n THR 146 Cb 1.08 -0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 68.60 1jkn n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jkn s VAL 147 N -2.48 5.19 0.33 12.58 0.11 -1.26 -4.86 120.40 130.02 1jkn s VAL 147 Ca 0.67 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 59.08 1jkn s VAL 147 Cb -0.24 -3.85 0.32 0.00 -1.53 0.00 0.00 36.38 31.08 1jkn s VAL 147 CO 0.63 -0.42 1.81 -0.33 -3.33 0.00 0.00 175.10 173.46 1jkn h GLU 148 N 1.03 0.68 -0.09 1.54 5.08 -1.95 0.57 114.58 121.44 1jkn h GLU 148 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1jkn h GLU 148 Cb 1.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jkn h GLU 148 CO 0.61 0.45 0.00 1.97 -1.00 0.00 0.00 179.01 181.05 1jkn n PHE 149 N -4.66 0.11 -1.00 4.33 1.16 -1.26 -3.62 117.46 112.52 1jkn n PHE 149 Ca 0.21 -0.06 0.00 0.00 -1.87 0.00 0.00 57.45 55.73 1jkn n PHE 149 Cb 0.57 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.44 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 -0.24 0.00 0.20 3.97 5.02 0.52 -4.48 118.16 123.14 1jkn n LYS 150 Ca 0.13 -0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 1jkn n LYS 150 Cb 0.17 -0.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.65 1jkn n LYS 150 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jkn h LYS 151 N 0.00 -0.52 -0.99 1.97 1.57 -0.09 -3.04 116.57 115.47 1jkn h LYS 151 Ca 0.00 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1jkn h LYS 151 Cb 0.96 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.31 1jkn h LYS 151 CO 0.00 -0.35 0.63 -1.00 -0.57 0.00 0.00 179.45 178.16 1jkn h PRO 152 N -0.87 0.92 -0.13 3.15 0.13 -1.86 0.18 132.00 133.53 1jkn h PRO 152 Ca -0.06 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1jkn h PRO 152 Cb 0.42 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1jkn h PRO 152 CO 0.09 0.61 0.12 0.28 -0.23 0.00 0.00 178.00 178.87 1jkn h VAL 153 N 0.95 0.64 0.00 1.56 2.07 -1.90 0.46 116.25 120.03 1jkn h VAL 153 Ca 0.50 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.77 1jkn h VAL 153 Cb 0.54 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1jkn h VAL 153 CO -0.27 0.00 -1.39 -1.22 0.02 0.00 0.00 177.57 174.71 1jkn n TYR 154 N -4.05 0.87 -0.26 1.57 4.02 0.30 -3.80 117.16 115.81 1jkn n TYR 154 Ca 0.00 0.38 0.22 0.00 -0.01 0.00 0.00 57.90 58.48 1jkn n TYR 154 Cb 0.24 -1.06 0.54 0.00 -0.02 0.00 0.00 39.34 39.03 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 0.34 -0.30 -0.72 3.64 -0.47 0.31 116.57 118.37 1jkn h LYS 155 Ca -0.38 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1jkn h LYS 155 Cb 1.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1jkn h LYS 155 CO -0.23 0.22 0.10 1.49 -2.27 0.00 0.00 179.45 178.76 1jkn h GLU 156 N 0.35 0.46 -0.27 1.90 4.57 -1.08 0.67 114.58 121.18 1jkn h GLU 156 Ca 0.50 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1jkn h GLU 156 Cb 1.35 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1jkn h GLU 156 CO -0.18 0.51 0.18 0.28 -1.18 0.00 0.00 179.01 178.61 1jkn h VAL 157 N 0.32 1.07 -0.12 0.32 2.07 -0.56 -0.72 116.25 118.63 1jkn h VAL 157 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jkn h VAL 157 Cb 0.24 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1jkn h VAL 157 CO -0.00 0.07 0.05 -0.07 0.02 0.00 0.00 177.57 177.63 1jkn h LEU 158 N 0.37 0.17 -0.66 2.57 3.38 -0.90 -1.75 115.31 118.49 1jkn h LEU 158 Ca 0.10 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 158 Cb -0.04 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 1jkn h LEU 158 CO -0.02 0.29 0.02 0.28 0.09 0.00 0.00 178.44 179.10 1jkn h SER 159 N 0.03 -0.27 0.57 -0.43 0.02 0.68 1.59 113.55 115.75 1jkn h SER 159 Ca 0.04 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1jkn h SER 159 Cb 0.18 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1jkn h SER 159 CO -0.00 -0.12 -0.18 0.58 -1.14 0.00 0.00 176.83 175.96 1jkn h VAL 160 N 0.13 0.62 -0.49 2.27 2.07 -0.93 -2.34 116.25 117.58 1jkn h VAL 160 Ca 0.35 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jkn h VAL 160 Cb 0.58 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1jkn h VAL 160 CO -0.55 0.18 0.00 0.49 0.02 0.00 0.00 177.57 177.71 1jkn n PHE 161 N -3.58 0.65 -0.07 1.57 3.72 0.24 -4.60 117.46 115.38 1jkn n PHE 161 Ca -0.01 -0.37 -0.08 0.00 -0.05 0.00 0.00 57.45 56.95 1jkn n PHE 161 Cb 0.32 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 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 3.96 -0.09 -0.44 4.37 0.00 0.25 0.13 119.26 127.44 1jkn h ALA 162 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1jkn h ALA 162 Cb 0.93 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1jkn h ALA 162 CO 0.00 -0.65 0.56 -1.00 0.00 0.00 0.00 179.25 178.16 1jkn h PRO 163 N -0.22 0.00 0.00 0.00 0.13 -1.81 0.66 132.00 130.75 1jkn h PRO 163 Ca 0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1jkn h PRO 163 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1jkn h PRO 163 CO -0.43 0.00 -1.29 0.45 -0.23 0.00 0.00 178.00 176.50 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.34 -3.55 115.15 115.68 1jkn h HIS 164 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1jkn h HIS 164 Cb 1.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1jkn h HIS 164 CO 0.00 0.45 0.00 1.47 0.86 0.00 0.00 177.93 180.71