#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn s PRO 2 N 0.00 3.09 -0.13 1.61 0.04 -1.26 -5.06 135.00 133.29 1jkn s PRO 2 Ca 0.00 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1jkn s PRO 2 Cb 0.00 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1jkn s PRO 2 CO 0.00 -1.03 0.29 -0.48 0.04 0.00 0.00 177.00 175.82 1jkn s LEU 3 N -4.37 -0.07 0.00 -3.56 2.34 -1.26 -4.85 118.68 106.91 1jkn s LEU 3 Ca 0.69 0.65 0.00 0.00 0.06 0.00 0.00 54.13 55.53 1jkn s LEU 3 Cb -0.21 0.85 0.00 0.00 -0.56 0.00 0.00 46.19 46.27 1jkn s LEU 3 CO 0.35 -0.21 0.00 0.61 -1.06 0.00 0.00 176.35 176.04 1jkn n GLY 4 N 4.85 1.70 3.44 -3.48 0.00 -1.26 -4.94 105.19 105.50 1jkn n GLY 4 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.19 -0.02 0.00 1.61 1.04 -1.23 -4.41 113.70 107.50 1jkn s SER 5 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1jkn s SER 5 Cb 0.00 1.02 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1jkn s SER 5 CO 0.00 -0.00 0.00 1.15 0.98 0.00 0.00 173.24 175.37 1jkn n MET 6 N 3.68 1.45 -2.48 4.02 0.00 -1.20 -4.84 117.12 117.74 1jkn n MET 6 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.55 1jkn n MET 6 Cb 0.56 -0.23 0.01 0.00 0.00 0.00 0.00 33.22 33.56 1jkn n MET 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1jkn n ASP 7 N -0.23 -2.36 -3.27 3.17 2.03 -1.26 -4.85 116.55 109.77 1jkn n ASP 7 Ca 0.00 -0.07 0.03 0.00 0.52 0.00 0.00 54.79 55.27 1jkn n ASP 7 Cb 0.00 -1.06 -0.04 0.00 -0.72 0.00 0.00 41.12 39.30 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1jkn s SER 8 N -3.08 -0.12 -0.06 1.67 0.01 -1.26 -4.84 113.70 106.02 1jkn s SER 8 Ca 0.05 0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 1jkn s SER 8 Cb -0.02 1.13 -0.04 0.00 0.21 0.00 0.00 66.02 67.29 1jkn s SER 8 CO 0.09 -0.02 1.44 -2.16 0.41 0.00 0.00 173.24 172.99 1jkn s PRO 9 N 1.94 4.24 0.00 12.44 0.04 -1.26 -4.90 135.00 147.50 1jkn s PRO 9 Ca -0.01 1.95 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1jkn s PRO 9 Cb -0.01 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1jkn s PRO 9 CO -0.15 -0.68 0.00 -0.35 0.04 0.00 0.00 177.00 175.85 1jkn n PRO 10 N 6.18 0.58 -3.21 0.56 -0.04 -1.26 -5.09 135.00 132.71 1jkn n PRO 10 Ca 0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.31 1jkn n PRO 10 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 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 -2.19 3.72 0.00 0.54 0.41 -1.26 -4.20 118.70 115.72 1jkn s GLU 11 Ca 0.00 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1jkn s GLU 11 Cb 0.00 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1jkn s GLU 11 CO 0.00 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.34 1jkn n GLY 12 N -0.86 2.76 3.75 -1.39 0.00 -1.26 -5.00 105.19 103.19 1jkn n GLY 12 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.49 3.37 0.36 1.61 2.02 -1.26 -1.64 117.35 120.32 1jkn s TYR 13 Ca 0.00 0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.88 1jkn s TYR 13 Cb 0.00 -1.94 -0.08 0.00 -0.40 0.00 0.00 41.96 39.54 1jkn s TYR 13 CO 0.00 0.49 0.75 -0.98 -1.57 0.00 0.00 175.55 174.24 1jkn s ARG 14 N -0.57 3.89 0.21 -0.62 1.70 -1.19 -4.56 118.95 117.82 1jkn s ARG 14 Ca 0.11 0.56 -0.31 0.00 -0.47 0.00 0.00 55.73 55.63 1jkn s ARG 14 Cb -0.12 -2.42 -0.10 0.00 -0.57 0.00 0.00 34.95 31.74 1jkn s ARG 14 CO 0.02 0.07 1.53 1.03 -1.08 0.00 0.00 175.30 176.87 1jkn s ARG 15 N -3.38 4.22 0.08 3.89 0.52 -1.26 -2.63 118.95 120.37 1jkn s ARG 15 Ca 0.53 2.38 -0.16 0.00 -0.52 0.00 0.00 55.73 57.95 1jkn s ARG 15 Cb -0.10 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1jkn s ARG 15 CO 0.24 -0.55 0.38 1.21 0.02 0.00 0.00 175.30 176.60 1jkn s ASN 16 N 0.77 -0.22 -0.07 0.23 3.84 -1.09 -0.82 114.94 117.58 1jkn s ASN 16 Ca 0.65 -0.18 0.02 0.00 0.21 0.00 0.00 52.86 53.57 1jkn s ASN 16 Cb -0.44 0.43 0.01 0.00 -0.55 0.00 0.00 41.25 40.70 1jkn s ASN 16 CO 0.38 -0.73 -0.13 0.68 -2.79 0.00 0.00 177.10 174.51 1jkn s VAL 17 N -3.05 1.23 0.02 -5.21 -7.23 -0.29 -3.20 120.40 102.67 1jkn s VAL 17 Ca -0.02 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1jkn s VAL 17 Cb 0.01 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 1jkn s VAL 17 CO -0.07 0.38 0.22 -0.83 -0.31 0.00 0.00 175.10 174.49 1jkn s GLY 18 N 0.68 2.20 -0.31 2.32 0.00 -1.25 -2.24 107.32 108.72 1jkn s GLY 18 Ca -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1jkn s GLY 18 CO 0.04 -0.63 0.01 -0.42 0.00 0.00 0.00 173.10 172.10 1jkn s ILE 19 N -1.39 1.97 -0.57 0.90 1.09 -0.23 -0.99 121.20 121.99 1jkn s ILE 19 Ca 0.30 -1.93 -0.22 0.00 -1.10 0.00 0.00 60.65 57.70 1jkn s ILE 19 Cb -0.13 -2.35 0.06 0.00 -1.06 0.00 0.00 42.46 38.98 1jkn s ILE 19 CO 0.21 -0.43 0.85 0.00 -0.10 0.00 0.00 174.94 175.46 1jkn s LEU 21 N 3.54 4.02 0.15 0.00 2.96 -1.26 0.21 118.68 128.30 1jkn s LEU 21 Ca 0.23 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1jkn s LEU 21 Cb -0.16 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1jkn s LEU 21 CO 0.14 0.29 -0.13 0.00 -1.32 0.00 0.00 176.35 175.33 1jkn s MET 22 N -1.64 1.12 0.50 1.98 0.23 0.31 0.13 119.30 121.93 1jkn s MET 22 Ca 0.22 -1.39 0.07 0.00 -1.03 0.00 0.00 55.69 53.56 1jkn s MET 22 Cb -0.12 -0.90 0.04 0.00 -1.53 0.00 0.00 34.83 32.32 1jkn s MET 22 CO 0.13 0.15 0.68 0.54 -2.03 0.00 0.00 175.02 174.50 1jkn s ASN 23 N -2.87 5.38 0.36 -1.18 4.22 -0.78 -1.78 114.94 118.29 1jkn s ASN 23 Ca 0.15 -0.45 0.24 0.00 -2.14 0.00 0.00 52.86 50.66 1jkn s ASN 23 Cb -0.02 -0.43 1.32 0.00 1.28 0.00 0.00 41.25 43.40 1jkn s ASN 23 CO 0.03 -1.03 1.75 0.78 -2.04 0.00 0.00 177.10 176.59 1jkn h ASN 24 N 0.36 0.00 -0.03 3.54 4.21 -1.92 0.15 115.58 121.89 1jkn h ASN 24 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 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 0.45 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.06 1jkn n ASP 25 N -2.36 1.39 -0.26 5.81 8.00 -1.26 -4.91 116.55 122.96 1jkn n ASP 25 Ca -0.01 -1.48 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1jkn n ASP 25 Cb 0.05 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.09 -0.20 -2.98 -1.24 5.02 0.52 -5.05 118.16 114.33 1jkn n LYS 26 Ca 0.19 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.55 1jkn n LYS 26 Cb 0.33 -3.89 0.05 0.00 -0.02 0.00 0.00 35.03 31.50 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 -3.58 2.42 0.04 1.97 -0.14 -1.25 -4.75 119.74 114.44 1jkn s LYS 27 Ca 0.00 -1.45 0.03 0.00 -1.36 0.00 0.00 55.97 53.19 1jkn s LYS 27 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1jkn s LYS 27 CO 0.00 -0.73 0.02 0.42 -0.76 0.00 0.00 175.35 174.30 1jkn s ILE 28 N -2.61 4.20 -0.59 2.17 -1.09 0.57 -1.86 121.20 121.98 1jkn s ILE 28 Ca 0.60 -0.74 -0.26 0.00 -2.23 0.00 0.00 60.65 58.01 1jkn s ILE 28 Cb -0.07 -2.94 0.04 0.00 -1.58 0.00 0.00 42.46 37.91 1jkn s ILE 28 CO 0.38 0.25 1.10 0.12 -1.23 0.00 0.00 174.94 175.56 1jkn s PHE 29 N -1.21 2.64 -0.12 3.97 2.19 0.35 -1.97 117.98 123.83 1jkn s PHE 29 Ca 0.23 0.16 0.02 0.00 0.33 0.00 0.00 56.93 57.66 1jkn s PHE 29 Cb -0.12 -4.36 -0.01 0.00 -1.31 0.00 0.00 43.02 37.22 1jkn s PHE 29 CO 0.15 -1.57 -0.18 0.00 1.83 0.00 0.00 175.22 175.45 1jkn s ALA 30 N 4.65 2.42 -0.06 11.12 0.00 -0.78 -4.55 121.76 134.56 1jkn s ALA 30 Ca 0.36 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1jkn s ALA 30 Cb -0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1jkn s ALA 30 CO 0.21 0.26 -0.18 0.00 0.00 0.00 0.00 175.76 176.05 1jkn s ALA 31 N 0.35 2.47 0.45 0.00 0.00 0.50 0.21 121.76 125.73 1jkn s ALA 31 Ca -0.14 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 1jkn s ALA 31 Cb -0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 1jkn s ALA 31 CO 0.07 0.47 0.90 -1.54 0.00 0.00 0.00 175.76 175.66 1jkn s SER 32 N -0.39 6.70 0.88 0.00 1.04 0.59 -0.61 113.70 121.92 1jkn s SER 32 Ca 0.04 1.47 -0.11 0.00 0.48 0.00 0.00 55.95 57.83 1jkn s SER 32 Cb -0.12 -2.46 0.12 0.00 0.10 0.00 0.00 66.02 63.66 1jkn s SER 32 CO 0.02 -0.44 1.09 -0.13 0.98 0.00 0.00 173.24 174.76 1jkn s ARG 33 N -3.66 1.34 0.00 4.02 0.52 0.41 -1.43 118.95 120.16 1jkn s ARG 33 Ca 0.57 1.00 0.23 0.00 -0.52 0.00 0.00 55.73 57.01 1jkn s ARG 33 Cb -0.10 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.60 1jkn s ARG 33 CO 0.25 -2.23 1.10 1.28 0.02 0.00 0.00 175.30 175.71 1jkn n LEU 34 N -3.90 1.31 0.00 2.53 4.77 -0.86 -3.83 117.00 117.02 1jkn n LEU 34 Ca 0.08 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1jkn n LEU 34 Cb 0.54 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1jkn n LEU 34 CO 0.54 0.27 -0.31 -0.67 -1.33 0.00 0.00 177.39 175.90 1jkn n ASP 35 N -0.89 3.11 -4.06 -1.43 2.03 -1.26 -4.97 116.55 109.08 1jkn n ASP 35 Ca 0.07 -0.04 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 1jkn n ASP 35 Cb 0.38 0.69 -0.15 0.00 -0.72 0.00 0.00 41.12 41.32 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jkn s ILE 36 N -1.32 2.03 0.19 5.18 1.01 -1.26 -5.10 121.20 121.93 1jkn s ILE 36 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 60.65 58.94 1jkn s ILE 36 Cb 0.00 -2.09 -0.10 0.00 0.01 0.00 0.00 42.46 40.28 1jkn s ILE 36 CO 0.00 0.09 1.49 -2.16 0.00 0.00 0.00 174.94 174.36 1jkn s PRO 37 N 1.20 4.25 0.00 2.79 0.04 -1.26 -1.91 135.00 140.11 1jkn s PRO 37 Ca -0.05 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.07 -0.51 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.31 -0.59 -4.45 6.66 2.03 -1.26 -4.97 116.55 117.28 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 1jkn n ASP 38 Cb 0.40 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 -3.40 3.17 0.24 -1.67 0.00 -0.80 -4.97 121.76 114.33 1jkn s ALA 39 Ca 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 51.96 49.93 1jkn s ALA 39 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1jkn s ALA 39 CO 0.00 -2.85 0.27 -1.58 0.00 0.00 0.00 175.76 171.61 1jkn s TRP 40 N 3.73 3.28 0.15 0.00 0.52 -1.26 0.16 118.94 125.52 1jkn s TRP 40 Ca 0.25 -0.06 -0.17 0.00 0.02 0.00 0.00 56.10 56.14 1jkn s TRP 40 Cb -0.14 -1.49 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1jkn s TRP 40 CO 0.05 0.48 0.84 0.00 0.02 0.00 0.00 176.95 178.34 1jkn n GLN 41 N -1.24 0.53 -4.18 4.98 10.64 0.22 -4.56 117.38 123.77 1jkn n GLN 41 Ca -0.08 -1.21 -0.25 0.00 -1.83 0.00 0.00 57.00 53.63 1jkn n GLN 41 Cb 0.57 1.63 -0.07 0.00 -0.86 0.00 0.00 30.24 31.52 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 2.57 0.11 2.61 -1.94 -1.26 -0.37 119.30 118.97 1jkn s MET 42 Ca 0.19 -1.11 -0.31 0.00 -1.71 0.00 0.00 55.69 52.75 1jkn s MET 42 Cb -0.02 -2.41 -0.08 0.00 2.01 0.00 0.00 34.83 34.32 1jkn s MET 42 CO 0.05 0.43 1.51 -1.25 -0.01 0.00 0.00 175.02 175.75 1jkn s PRO 43 N -3.26 4.26 0.08 2.03 0.04 -1.26 -4.93 135.00 131.95 1jkn s PRO 43 Ca 0.30 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.36 1jkn s PRO 43 Cb -0.09 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1jkn s PRO 43 CO 0.21 -0.57 0.44 1.14 0.04 0.00 0.00 177.00 178.26 1jkn s GLN 44 N 1.58 1.01 -0.18 4.56 1.03 -1.26 -1.06 119.66 125.34 1jkn s GLN 44 Ca 0.68 -0.45 -0.28 0.00 0.04 0.00 0.00 55.36 55.35 1jkn s GLN 44 Cb -0.39 0.45 0.08 0.00 0.03 0.00 0.00 33.01 33.18 1jkn s GLN 44 CO 0.31 -0.37 0.78 0.20 -2.54 0.00 0.00 175.29 173.67 1jkn s GLY 45 N -2.29 -0.47 0.37 2.60 0.00 -0.95 -4.95 107.32 101.63 1jkn s GLY 45 Ca -0.02 1.86 -0.27 0.00 0.00 0.00 0.00 44.72 46.29 1jkn s GLY 45 CO -0.06 1.39 1.32 0.61 0.00 0.00 0.00 173.10 176.37 1jkn n GLY 46 N 1.74 0.70 3.76 0.20 0.00 -1.26 -1.14 105.19 109.19 1jkn n GLY 46 Ca -0.15 0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.13 3.26 0.59 -0.61 1.01 0.00 -4.78 121.20 119.56 1jkn s ILE 47 Ca 0.56 0.41 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 1jkn s ILE 47 Cb -0.53 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1jkn s ILE 47 CO 0.61 -0.54 0.85 -1.81 0.00 0.00 0.00 174.94 174.06 1jkn s ASP 48 N -3.41 5.20 -0.62 3.58 1.11 -1.26 -4.88 116.67 116.39 1jkn s ASP 48 Ca 0.61 0.22 -0.26 0.00 0.18 0.00 0.00 52.55 53.30 1jkn s ASP 48 Cb -0.17 -1.06 -0.04 0.00 1.07 0.00 0.00 42.92 42.72 1jkn s ASP 48 CO 0.56 -1.25 2.01 -1.61 1.18 0.00 0.00 175.17 176.07 1jkn s GLU 49 N -4.92 2.46 0.00 8.23 0.41 -1.26 -2.26 118.70 121.36 1jkn s GLU 49 Ca 0.57 0.70 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 1jkn s GLU 49 Cb -0.10 -4.51 0.00 0.00 -1.78 0.00 0.00 34.13 27.74 1jkn s GLU 49 CO 0.41 -2.98 0.00 0.41 -0.49 0.00 0.00 175.26 172.61 1jkn n GLY 50 N 5.92 0.85 3.56 -1.39 0.00 -1.26 -5.07 105.19 107.79 1jkn n GLY 50 Ca 0.27 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.39 2.38 0.13 1.61 2.56 -0.96 -5.10 118.70 114.92 1jkn s GLU 51 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 54.97 53.84 1jkn s GLU 51 Cb 0.00 -2.40 -0.07 0.00 2.00 0.00 0.00 34.13 33.67 1jkn s GLU 51 CO 0.00 0.57 1.11 -0.51 -0.56 0.00 0.00 175.26 175.88 1jkn s ASP 52 N -1.52 7.23 0.31 -1.70 1.11 -1.26 -4.76 116.67 116.07 1jkn s ASP 52 Ca 0.17 2.03 0.06 0.00 0.18 0.00 0.00 52.55 54.99 1jkn s ASP 52 Cb -0.11 -2.59 0.71 0.00 1.07 0.00 0.00 42.92 42.00 1jkn s ASP 52 CO 0.08 -0.28 1.81 -0.65 1.18 0.00 0.00 175.17 177.30 1jkn h PRO 53 N 5.69 0.78 0.00 8.23 0.11 -1.97 0.70 132.00 145.54 1jkn h PRO 53 Ca -0.43 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1jkn h PRO 53 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jkn h PRO 53 CO 0.75 0.52 -0.47 -0.09 -0.21 0.00 0.00 178.00 178.49 1jkn h ARG 54 N 0.81 0.00 0.09 1.05 9.65 -1.92 -2.16 114.38 121.90 1jkn h ARG 54 Ca 0.54 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 59.19 1jkn h ARG 54 Cb 0.79 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1jkn h ARG 54 CO -0.32 0.47 -1.18 -0.91 2.80 0.00 0.00 179.97 180.83 1jkn h ASN 55 N 0.00 0.31 -0.26 -3.80 2.35 -1.26 -2.86 115.58 110.06 1jkn h ASN 55 Ca -0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1jkn h ASN 55 Cb 0.97 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1jkn h ASN 55 CO 0.06 1.51 0.17 0.00 -1.65 0.00 0.00 177.43 177.52 1jkn h ALA 56 N -0.08 1.80 0.16 -0.83 0.00 0.25 0.69 119.26 121.26 1jkn h ALA 56 Ca -0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jkn h ALA 56 Cb 1.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1jkn h ALA 56 CO 0.03 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1jkn h ALA 57 N 1.83 -0.22 -0.35 0.00 0.00 -1.50 0.82 119.26 119.85 1jkn h ALA 57 Ca 0.10 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1jkn h ALA 57 Cb -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jkn h ALA 57 CO -0.02 -0.32 0.27 0.82 0.00 0.00 0.00 179.25 180.00 1jkn h ILE 58 N -0.83 0.74 0.00 0.00 2.04 -1.24 0.25 117.51 118.47 1jkn h ILE 58 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1jkn h ILE 58 Cb 0.53 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1jkn h ILE 58 CO 0.04 0.00 -0.27 -0.09 0.00 0.00 0.00 178.15 177.83 1jkn h ARG 59 N 0.00 0.00 -0.58 2.37 2.43 -0.81 -3.29 114.38 114.50 1jkn h ARG 59 Ca 0.16 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 1jkn h ARG 59 Cb 0.69 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.16 1jkn h ARG 59 CO -0.00 0.70 0.10 0.93 -1.51 0.00 0.00 179.97 180.20 1jkn h GLU 60 N -1.00 0.23 0.20 0.20 4.39 0.14 -1.39 114.58 117.34 1jkn h GLU 60 Ca -0.06 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1jkn h GLU 60 Cb 0.80 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1jkn h GLU 60 CO -0.04 0.15 -0.35 1.25 -1.16 0.00 0.00 179.01 178.86 1jkn h LEU 61 N 0.23 -1.00 -1.53 1.33 5.85 -0.69 0.73 115.31 120.24 1jkn h LEU 61 Ca 0.30 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1jkn h LEU 61 Cb 0.45 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1jkn h LEU 61 CO -0.41 -0.45 0.01 -0.09 -0.34 0.00 0.00 178.44 177.16 1jkn h ARG 62 N -0.63 0.00 0.10 1.25 2.43 -1.51 0.83 114.38 116.85 1jkn h ARG 62 Ca 0.01 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.81 1jkn h ARG 62 Cb 0.63 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1jkn h ARG 62 CO -0.16 0.00 -2.08 0.39 -1.51 0.00 0.00 179.97 176.61 1jkn n GLU 63 N -2.31 0.74 0.02 0.20 1.02 0.64 -2.22 120.64 118.73 1jkn n GLU 63 Ca -0.02 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1jkn n GLU 63 Cb 0.04 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 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 -3.45 0.63 -0.00 3.49 -0.58 0.22 -3.35 120.64 117.60 1jkn n GLU 64 Ca -0.35 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 56.57 1jkn n GLU 64 Cb 1.03 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 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 -2.82 0.01 -0.93 2.62 -2.24 0.28 -4.44 114.28 106.76 1jkn n THR 65 Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1jkn n THR 65 Cb 0.82 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 2.45 0.78 3.64 3.38 0.00 -0.85 0.11 105.19 114.70 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 -3.27 3.71 -0.18 1.61 1.01 -1.26 -4.55 120.40 117.47 1jkn s VAL 67 Ca 0.00 0.83 0.13 0.00 0.00 0.00 0.00 61.98 62.93 1jkn s VAL 67 Cb 0.00 -3.66 -0.23 0.00 0.00 0.00 0.00 36.38 32.48 1jkn s VAL 67 CO 0.00 -0.22 0.14 0.35 0.00 0.00 0.00 175.10 175.37 1jkn n THR 68 N 6.09 1.47 -2.94 3.92 -2.24 -1.26 -3.86 114.28 115.46 1jkn n THR 68 Ca 0.18 -0.78 -0.44 0.00 -2.27 0.00 0.00 64.05 60.74 1jkn n THR 68 Cb 0.45 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.94 5.25 -3.71 3.42 7.64 -1.26 -4.91 113.62 117.11 1jkn n SER 69 Ca -0.32 -2.99 -0.11 0.00 1.01 0.00 0.00 58.87 56.45 1jkn n SER 69 Cb 1.10 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.21 -0.83 0.08 -0.43 0.00 -1.26 0.11 121.76 120.64 1jkn s ALA 70 Ca 0.42 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1jkn s ALA 70 CO -0.00 -0.27 -0.23 -1.83 0.00 0.00 0.00 175.76 173.42 1jkn s GLU 71 N 1.44 1.76 -0.20 0.00 -1.05 -0.74 -4.89 118.70 115.03 1jkn s GLU 71 Ca -0.09 -1.15 -0.29 0.00 -0.15 0.00 0.00 54.97 53.29 1jkn s GLU 71 Cb -0.10 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.56 1jkn s GLU 71 CO -0.11 0.50 1.05 0.08 0.95 0.00 0.00 175.26 177.73 1jkn s VAL 72 N -0.95 4.66 -0.04 1.83 1.01 -1.26 0.13 120.40 125.79 1jkn s VAL 72 Ca 0.14 1.99 0.20 0.00 0.00 0.00 0.00 61.98 64.30 1jkn s VAL 72 Cb -0.10 -4.28 -0.30 0.00 0.00 0.00 0.00 36.38 31.69 1jkn s VAL 72 CO 0.05 -0.13 0.41 -0.38 0.00 0.00 0.00 175.10 175.05 1jkn n ILE 73 N 5.15 0.10 -3.66 2.22 2.08 -0.50 -4.90 119.36 119.85 1jkn n ILE 73 Ca 0.11 -0.48 -0.10 0.00 0.56 0.00 0.00 62.75 62.84 1jkn n ILE 73 Cb 0.46 -0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.31 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 -3.32 -0.87 -0.18 -1.39 0.00 -1.23 -4.97 121.76 109.81 1jkn s ALA 74 Ca -0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 1jkn s ALA 74 Cb 0.12 0.69 0.09 0.00 0.00 0.00 0.00 23.12 24.02 1jkn s ALA 74 CO 0.83 -0.64 0.31 -1.83 0.00 0.00 0.00 175.76 174.43 1jkn s GLU 75 N -3.81 0.23 0.16 0.00 -1.05 -1.26 0.50 118.70 113.47 1jkn s GLU 75 Ca 0.03 0.65 -0.33 0.00 -0.15 0.00 0.00 54.97 55.18 1jkn s GLU 75 Cb 0.02 -0.28 -0.13 0.00 -0.44 0.00 0.00 34.13 33.30 1jkn s GLU 75 CO -0.11 -0.42 1.67 0.28 0.95 0.00 0.00 175.26 177.62 1jkn n VAL 76 N 5.36 0.06 0.33 1.83 0.31 -0.82 -4.86 118.33 120.53 1jkn n VAL 76 Ca -0.06 -0.01 0.14 0.00 -0.01 0.00 0.00 64.34 64.40 1jkn n VAL 76 Cb 0.50 -1.77 0.61 0.00 -0.91 0.00 0.00 33.84 32.27 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 6.61 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 138.86 1jkn h PRO 77 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 1jkn h PRO 77 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1jkn h PRO 77 CO 0.92 0.00 -0.46 2.48 -0.23 0.00 0.00 178.00 180.71 1jkn n TYR 78 N -2.50 0.41 -4.06 1.56 0.18 -1.26 -4.68 117.16 106.81 1jkn n TYR 78 Ca 0.01 -2.56 -0.32 0.00 1.88 0.00 0.00 57.90 56.91 1jkn n TYR 78 Cb 0.20 -0.09 -0.06 0.00 -0.38 0.00 0.00 39.34 39.01 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 -3.00 3.28 -0.24 -3.48 0.52 -1.26 -4.56 118.94 110.20 1jkn s TRP 79 Ca 0.15 0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.40 1jkn s TRP 79 Cb 0.01 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1jkn s TRP 79 CO 0.11 0.55 -0.04 -0.51 0.02 0.00 0.00 176.95 177.07 1jkn s LEU 80 N -2.08 3.09 -0.13 2.99 1.43 0.24 -3.26 118.68 120.96 1jkn s LEU 80 Ca 0.27 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1jkn s LEU 80 Cb -0.12 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1jkn s LEU 80 CO 0.19 -0.08 -0.08 0.42 0.23 0.00 0.00 176.35 177.02 1jkn s THR 81 N 1.41 3.50 0.35 5.49 -4.23 -1.26 -1.66 115.64 119.25 1jkn s THR 81 Ca 0.03 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.08 1jkn s THR 81 Cb -0.15 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 1jkn s THR 81 CO -0.03 0.52 0.05 -0.72 -0.54 0.00 0.00 174.62 173.89 1jkn s TYR 82 N 0.22 2.12 0.13 3.99 1.13 -1.25 -4.35 117.35 119.33 1jkn s TYR 82 Ca -0.05 -0.88 0.05 0.00 -1.41 0.00 0.00 57.07 54.78 1jkn s TYR 82 Cb -0.15 -1.43 -0.04 0.00 -1.10 0.00 0.00 41.96 39.25 1jkn s TYR 82 CO 0.04 0.13 -0.12 -0.51 -2.51 0.00 0.00 175.55 172.58 1jkn s ASP 83 N -3.56 1.82 0.04 -0.18 1.01 -1.26 -3.42 116.67 111.11 1jkn s ASP 83 Ca 0.36 -0.87 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1jkn s ASP 83 Cb 0.09 -0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 1jkn s ASP 83 CO 0.16 -0.23 0.06 -0.36 0.21 0.00 0.00 175.17 175.01 1jkn s PHE 84 N -2.58 3.19 1.15 4.23 0.08 -1.18 -4.87 117.98 118.01 1jkn s PHE 84 Ca 0.11 0.12 -0.13 0.00 0.12 0.00 0.00 56.93 57.14 1jkn s PHE 84 Cb -0.02 -1.66 0.27 0.00 -0.57 0.00 0.00 43.02 41.04 1jkn s PHE 84 CO 0.02 0.52 1.04 -1.25 -0.10 0.00 0.00 175.22 175.44 1jkn s PRO 85 N -2.01 -0.78 0.41 0.24 0.04 -1.26 -4.36 135.00 127.27 1jkn s PRO 85 Ca 0.25 0.73 0.28 0.00 0.04 0.00 0.00 61.00 62.30 1jkn s PRO 85 Cb -0.12 -1.58 1.44 0.00 0.04 0.00 0.00 34.50 34.28 1jkn s PRO 85 CO 0.17 -3.60 1.86 -1.00 0.04 0.00 0.00 177.00 174.46 1jkn h PRO 86 N -2.53 0.00 0.04 0.56 0.13 -1.99 0.60 132.00 128.81 1jkn h PRO 86 Ca -0.61 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.18 1jkn h PRO 86 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.52 0.00 -2.00 1.63 -0.23 0.00 0.00 178.00 177.92 1jkn n LYS 87 N -2.50 0.68 -0.03 0.86 4.01 -1.26 -3.10 118.16 116.82 1jkn n LYS 87 Ca -0.01 0.22 -0.18 0.00 -0.51 0.00 0.00 58.31 57.83 1jkn n LYS 87 Cb 0.10 -1.69 -0.13 0.00 -0.51 0.00 0.00 35.03 32.80 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 0.02 1.43 -0.47 -0.18 2.07 -1.74 -1.87 116.25 115.53 1jkn h VAL 88 Ca -0.41 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.73 1jkn h VAL 88 Cb 2.04 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 34.82 1jkn h VAL 88 CO 0.05 0.62 0.31 -0.09 0.02 0.00 0.00 177.57 178.48 1jkn h ARG 89 N -0.68 0.61 0.00 1.57 2.43 -0.01 0.60 114.38 118.90 1jkn h ARG 89 Ca -0.15 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1jkn h ARG 89 Cb 1.38 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1jkn h ARG 89 CO 0.02 0.40 -0.36 1.49 -1.51 0.00 0.00 179.97 180.02 1jkn h GLU 90 N 0.63 0.00 0.06 0.20 4.57 -1.67 -2.16 114.58 116.21 1jkn h GLU 90 Ca 0.17 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.24 1jkn h GLU 90 Cb -0.07 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1jkn h GLU 90 CO -0.04 0.36 -0.46 -0.22 -1.18 0.00 0.00 179.01 177.47 1jkn h LYS 91 N 0.00 0.20 -0.30 1.92 3.11 -0.41 -3.31 116.57 117.78 1jkn h LYS 91 Ca -0.00 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 1jkn h LYS 91 Cb 0.77 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 1jkn h LYS 91 CO 0.05 1.11 0.19 -0.07 -2.81 0.00 0.00 179.45 177.91 1jkn h LEU 92 N -0.56 0.36 -1.66 5.20 3.38 0.19 0.82 115.31 123.04 1jkn h LEU 92 Ca -0.08 -0.04 0.36 0.00 0.09 0.00 0.00 57.88 58.21 1jkn h LEU 92 Cb 1.32 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1jkn h LEU 92 CO 0.09 0.29 0.84 0.78 0.09 0.00 0.00 178.44 180.53 1jkn h ASN 93 N 0.40 0.20 0.02 -0.43 2.35 -1.51 1.70 115.58 118.31 1jkn h ASN 93 Ca 0.11 0.06 -0.39 0.00 -0.55 0.00 0.00 56.30 55.53 1jkn h ASN 93 Cb -0.01 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1jkn h ASN 93 CO -0.02 -0.01 -2.19 -0.38 -1.65 0.00 0.00 177.43 173.17 1jkn n ILE 94 N -4.42 1.56 0.13 2.81 5.41 -0.74 -2.71 119.36 121.40 1jkn n ILE 94 Ca 0.30 -0.39 -0.12 0.00 1.00 0.00 0.00 62.75 63.53 1jkn n ILE 94 Cb 1.23 -1.78 -0.08 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 -0.61 -0.36 0.09 0.38 -0.00 0.14 -3.31 115.11 111.44 1jkn h GLN 95 Ca -0.56 0.02 -0.26 0.00 -0.00 0.00 0.00 58.65 57.85 1jkn h GLN 95 Cb 1.68 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 29.24 1jkn h GLN 95 CO -0.23 -0.01 -1.17 -1.49 0.00 0.00 0.00 178.83 175.93 1jkn h TRP 96 N -0.83 0.40 -1.02 3.99 4.06 0.22 -3.48 115.95 119.28 1jkn h TRP 96 Ca -0.04 -0.29 -0.04 0.00 2.06 0.00 0.00 58.89 60.58 1jkn h TRP 96 Cb 0.51 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.66 1jkn h TRP 96 CO 0.04 1.21 -0.06 0.41 -3.56 0.00 0.00 178.44 176.48 1jkn n GLY 97 N 1.44 0.59 3.28 1.49 0.00 0.11 -4.98 105.19 107.12 1jkn n GLY 97 Ca -0.07 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.98 2.63 -0.92 1.61 0.01 -1.24 -4.99 113.70 107.82 1jkn s SER 98 Ca 0.04 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1jkn s SER 98 Cb -0.02 -0.19 0.27 0.00 0.21 0.00 0.00 66.02 66.29 1jkn s SER 98 CO 0.05 0.13 1.06 -0.90 0.41 0.00 0.00 173.24 173.98 1jkn n ASP 99 N 1.45 5.02 -4.08 2.44 5.68 -1.26 -3.98 116.55 121.81 1jkn n ASP 99 Ca -0.18 -3.31 -0.14 0.00 -0.50 0.00 0.00 54.79 50.66 1jkn n ASP 99 Cb 0.53 -1.06 -0.11 0.00 -1.14 0.00 0.00 41.12 39.34 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 -2.18 0.77 -0.24 2.11 0.23 -1.26 -5.02 118.94 113.35 1jkn s TRP 100 Ca 0.32 -0.51 0.21 0.00 -2.03 0.00 0.00 56.10 54.10 1jkn s TRP 100 Cb 0.03 -0.45 0.03 0.00 0.03 0.00 0.00 33.47 33.10 1jkn s TRP 100 CO -0.01 -0.06 1.10 0.87 0.96 0.00 0.00 176.95 179.81 1jkn h LYS 101 N 4.40 0.00 0.00 4.98 6.56 -1.69 -3.49 116.57 127.33 1jkn h LYS 101 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1jkn h LYS 101 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1jkn h LYS 101 CO 0.41 0.06 0.00 0.41 -2.06 0.00 0.00 179.45 178.28 1jkn n GLY 102 N 1.20 1.49 3.38 3.86 0.00 -1.25 -3.07 105.19 110.80 1jkn n GLY 102 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 3.08 0.51 -0.40 1.61 -0.21 -1.22 -3.16 119.66 119.87 1jkn s GLN 103 Ca 0.00 1.18 -0.25 0.00 0.02 0.00 0.00 55.36 56.32 1jkn s GLN 103 Cb 0.00 0.58 0.02 0.00 1.00 0.00 0.00 33.01 34.61 1jkn s GLN 103 CO 0.00 -0.37 0.87 0.00 -2.12 0.00 0.00 175.29 173.67 1jkn s ALA 104 N 2.81 3.35 0.11 6.09 0.00 -1.08 -3.90 121.76 129.15 1jkn s ALA 104 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.40 1jkn s ALA 104 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1jkn s ALA 104 CO -0.18 -1.73 -0.15 1.14 0.00 0.00 0.00 175.76 174.84 1jkn s GLN 105 N 3.42 1.00 -0.56 0.00 -2.07 -0.67 -2.67 119.66 118.11 1jkn s GLN 105 Ca 0.35 -1.17 -0.07 0.00 -1.82 0.00 0.00 55.36 52.65 1jkn s GLN 105 Cb -0.12 -0.96 0.14 0.00 -1.09 0.00 0.00 33.01 30.98 1jkn s GLN 105 CO 0.21 0.20 0.41 0.15 -1.32 0.00 0.00 175.29 174.94 1jkn s LYS 106 N -2.35 2.59 0.58 9.60 -0.14 -1.19 0.80 119.74 129.62 1jkn s LYS 106 Ca 0.06 -2.08 -0.20 0.00 -1.36 0.00 0.00 55.97 52.39 1jkn s LYS 106 Cb -0.07 -3.90 -0.04 0.00 -1.68 0.00 0.00 37.83 32.15 1jkn s LYS 106 CO 0.03 -1.19 1.28 -1.58 -0.76 0.00 0.00 175.35 173.14 1jkn s TRP 107 N 0.77 2.32 -0.03 3.18 0.52 -1.26 -3.77 118.94 120.66 1jkn s TRP 107 Ca 0.11 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.70 1jkn s TRP 107 Cb -0.22 -3.65 0.01 0.00 -1.15 0.00 0.00 33.47 28.46 1jkn s TRP 107 CO -0.03 -2.59 -0.08 -0.06 0.02 0.00 0.00 176.95 174.21 1jkn s PHE 108 N -1.42 0.86 0.30 -1.98 0.40 -0.16 -1.94 117.98 114.04 1jkn s PHE 108 Ca 0.75 -0.22 -0.27 0.00 -0.60 0.00 0.00 56.93 56.59 1jkn s PHE 108 Cb -0.36 -0.64 -0.10 0.00 0.51 0.00 0.00 43.02 42.44 1jkn s PHE 108 CO 0.40 -0.11 0.95 -1.17 0.70 0.00 0.00 175.22 176.00 1jkn s LEU 109 N 0.32 4.43 -0.04 -0.37 2.96 0.18 0.86 118.68 127.02 1jkn s LEU 109 Ca -0.05 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1jkn s LEU 109 Cb -0.09 -3.89 0.03 0.00 0.50 0.00 0.00 46.19 42.73 1jkn s LEU 109 CO 0.00 -0.03 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.65 1jkn s PHE 110 N -1.47 0.43 -0.24 5.38 0.40 0.56 -1.41 117.98 121.63 1jkn s PHE 110 Ca 0.48 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.58 1jkn s PHE 110 Cb -0.21 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 1jkn s PHE 110 CO 0.27 -0.18 0.53 0.21 0.70 0.00 0.00 175.22 176.76 1jkn s LYS 111 N 1.24 4.11 0.09 0.44 2.20 0.35 -0.53 119.74 127.64 1jkn s LYS 111 Ca -0.07 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 1jkn s LYS 111 Cb -0.13 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 1jkn s LYS 111 CO -0.02 -0.30 1.57 0.12 -0.36 0.00 0.00 175.35 176.36 1jkn s PHE 112 N 2.14 2.74 -0.24 4.03 5.36 -0.74 -1.79 117.98 129.48 1jkn s PHE 112 Ca 0.23 0.53 0.13 0.00 -0.96 0.00 0.00 56.93 56.86 1jkn s PHE 112 Cb -0.16 -3.89 0.46 0.00 -0.34 0.00 0.00 43.02 39.10 1jkn s PHE 112 CO 0.09 -3.42 1.18 0.25 -1.46 0.00 0.00 175.22 171.86 1jkn n THR 113 N 4.42 1.97 -0.91 0.12 -2.24 0.31 -4.76 114.28 113.19 1jkn n THR 113 Ca 0.14 -3.47 0.00 0.00 -2.27 0.00 0.00 64.05 58.45 1jkn n THR 113 Cb 0.40 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.66 5.49 3.22 3.38 0.00 -1.20 -4.74 105.19 110.69 1jkn n GLY 114 Ca 0.28 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 3.64 0.97 0.33 1.61 1.11 -1.26 -5.00 119.66 121.06 1jkn s GLN 115 Ca 0.00 -1.18 0.13 0.00 0.01 0.00 0.00 55.36 54.32 1jkn s GLN 115 Cb 0.00 -0.87 0.73 0.00 -1.01 0.00 0.00 33.01 31.86 1jkn s GLN 115 CO 0.00 0.17 1.31 -0.25 0.01 0.00 0.00 175.29 176.53 1jkn n ASP 116 N 0.68 0.35 0.21 5.90 8.00 -1.26 0.61 116.55 131.03 1jkn n ASP 116 Ca -0.17 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.01 1jkn n ASP 116 Cb 0.56 -0.51 0.15 0.00 -0.02 0.00 0.00 41.12 41.30 1jkn n ASP 116 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1jkn h GLN 117 N 0.00 0.00 0.00 -1.24 -0.00 -2.04 -3.21 115.11 108.62 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1jkn h GLN 117 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 1jkn h GLN 117 CO 0.00 0.03 -0.51 1.49 0.00 0.00 0.00 178.83 179.84 1jkn h GLU 118 N 0.00 0.00 -6.04 1.69 4.81 -0.21 -3.43 114.58 111.39 1jkn h GLU 118 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1jkn h GLU 118 Cb 1.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1jkn h GLU 118 CO 0.00 0.51 1.37 0.42 -0.73 0.00 0.00 179.01 180.59 1jkn s ILE 119 N -3.06 3.33 -0.41 2.32 1.01 -1.21 -4.06 121.20 119.13 1jkn s ILE 119 Ca 0.03 0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1jkn s ILE 119 Cb 0.08 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 39.04 1jkn s ILE 119 CO 0.74 -0.52 0.14 0.21 0.00 0.00 0.00 174.94 175.51 1jkn s ASN 120 N 7.91 4.44 0.64 3.58 2.47 0.31 -4.96 114.94 129.33 1jkn s ASN 120 Ca 0.79 -2.43 0.34 0.00 0.42 0.00 0.00 52.86 51.97 1jkn s ASN 120 Cb -0.18 -1.50 1.88 0.00 -1.45 0.00 0.00 41.25 39.99 1jkn s ASN 120 CO 0.28 -0.32 2.11 -0.07 -3.72 0.00 0.00 177.10 175.37 1jkn h LEU 121 N 7.21 0.00 0.68 3.21 3.38 -1.77 -2.09 115.31 125.93 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jkn h LEU 121 CO 0.57 0.00 -0.33 -0.07 0.09 0.00 0.00 178.44 178.70 1jkn h LEU 122 N 0.00 -0.77 0.00 1.67 3.38 -1.84 -3.35 115.31 114.40 1jkn h LEU 122 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jkn h LEU 122 Cb 0.43 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jkn h LEU 122 CO -0.00 -0.53 0.00 0.61 0.09 0.00 0.00 178.44 178.61 1jkn n GLY 123 N -1.37 0.69 1.97 0.83 0.00 -0.80 -3.39 105.19 103.12 1jkn n GLY 123 Ca -0.13 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 1jkn n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkn n ASP 124 N 3.00 6.43 -1.06 1.61 5.75 -1.14 -4.65 116.55 126.48 1jkn n ASP 124 Ca 0.00 -3.21 -0.10 0.00 -0.01 0.00 0.00 54.79 51.47 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 -0.00 0.22 1.06 6.12 0.00 -1.26 -4.91 105.19 106.42 1jkn n GLY 125 Ca 0.38 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jkn n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 126 N 0.15 0.00 -4.91 1.61 2.88 -1.26 -5.10 113.62 107.00 1jkn n SER 126 Ca -0.11 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.15 1jkn n SER 126 Cb 0.53 -0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jkn s GLU 127 N -1.00 2.85 0.27 -1.46 8.01 -1.26 -5.07 118.70 121.04 1jkn s GLU 127 Ca 0.00 0.07 -0.18 0.00 0.01 0.00 0.00 54.97 54.87 1jkn s GLU 127 Cb 0.00 -2.21 -0.09 0.00 -4.31 0.00 0.00 34.13 27.52 1jkn s GLU 127 CO 0.00 -0.81 0.74 0.15 0.01 0.00 0.00 175.26 175.35 1jkn s LYS 128 N -5.08 4.15 0.08 1.61 -0.14 -1.26 -4.58 119.74 114.52 1jkn s LYS 128 Ca 0.55 0.80 -0.35 0.00 -1.36 0.00 0.00 55.97 55.61 1jkn s LYS 128 Cb -0.11 -2.66 -0.15 0.00 -1.68 0.00 0.00 37.83 33.23 1jkn s LYS 128 CO 0.46 0.28 1.53 -2.30 -0.76 0.00 0.00 175.35 174.56 1jkn n PRO 129 N 0.21 1.72 -0.05 -1.68 -0.02 -1.22 -4.89 135.00 129.08 1jkn n PRO 129 Ca 0.01 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1jkn n PRO 129 Cb 0.52 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.52 1.49 -4.17 -0.52 4.71 -1.26 -4.98 120.64 119.43 1jkn n GLU 130 Ca 0.19 0.03 -0.23 0.00 -0.01 0.00 0.00 57.16 57.14 1jkn n GLU 130 Cb 0.24 -1.22 -0.05 0.00 -1.01 0.00 0.00 31.44 29.40 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1jkn s PHE 131 N -2.21 2.99 -0.02 -0.32 0.08 -1.26 -2.02 117.98 115.21 1jkn s PHE 131 Ca -0.09 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.86 1jkn s PHE 131 Cb 0.03 -1.35 -0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1jkn s PHE 131 CO 0.30 0.55 0.10 0.41 -0.10 0.00 0.00 175.22 176.49 1jkn n GLY 132 N -1.03 -0.17 3.61 4.36 0.00 -0.51 -4.70 105.19 106.75 1jkn n GLY 132 Ca -0.08 -0.11 -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 -2.27 1.85 0.03 1.61 0.41 -1.25 -5.00 118.70 114.09 1jkn s GLU 133 Ca -0.01 -1.48 -0.22 0.00 -0.41 0.00 0.00 54.97 52.84 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 0.19 -0.80 0.51 1.67 -0.49 0.00 0.00 175.26 176.34 1jkn s TRP 134 N -3.26 -0.41 0.11 1.61 1.48 -1.26 -0.30 118.94 116.91 1jkn s TRP 134 Ca 0.24 0.49 -0.16 0.00 -1.06 0.00 0.00 56.10 55.61 1jkn s TRP 134 Cb -0.02 0.32 0.03 0.00 -1.16 0.00 0.00 33.47 32.65 1jkn s TRP 134 CO 0.14 -0.62 0.39 0.45 -4.06 0.00 0.00 176.95 173.25 1jkn s SER 135 N -1.87 -0.21 -0.18 -2.66 0.15 0.13 -4.97 113.70 104.09 1jkn s SER 135 Ca -0.06 -0.31 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 1jkn s SER 135 Cb -0.01 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1jkn s SER 135 CO -0.00 -0.83 0.41 0.26 1.20 0.00 0.00 173.24 174.28 1jkn s TRP 136 N -3.68 3.41 0.06 3.44 0.52 -1.26 -1.86 118.94 119.57 1jkn s TRP 136 Ca 0.02 0.67 0.02 0.00 0.02 0.00 0.00 56.10 56.84 1jkn s TRP 136 Cb 0.02 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1jkn s TRP 136 CO -0.11 0.05 -0.08 0.14 0.02 0.00 0.00 176.95 176.97 1jkn s VAL 137 N 1.10 0.59 0.56 4.03 -7.23 -0.83 -4.84 120.40 113.78 1jkn s VAL 137 Ca 0.20 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.87 1jkn s VAL 137 Cb -0.15 -0.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1jkn s VAL 137 CO 0.08 -0.52 1.08 0.42 -0.31 0.00 0.00 175.10 175.85 1jkn s THR 138 N -2.02 3.54 0.64 5.32 -4.23 -1.26 0.21 115.64 117.84 1jkn s THR 138 Ca -0.04 0.85 0.24 0.00 -1.18 0.00 0.00 61.69 61.56 1jkn s THR 138 Cb -0.06 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1jkn s THR 138 CO -0.01 -0.31 1.67 1.55 -0.54 0.00 0.00 174.62 176.98 1jkn h PRO 139 N 0.89 0.00 0.06 3.99 0.13 -1.94 0.92 132.00 136.05 1jkn h PRO 139 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1jkn h PRO 139 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.57 0.00 -1.70 0.93 -0.23 0.00 0.00 178.00 177.58 1jkn h GLU 140 N 0.00 0.12 0.02 0.86 4.39 -1.99 -3.25 114.58 114.74 1jkn h GLU 140 Ca 0.11 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1jkn h GLU 140 Cb 1.30 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1jkn h GLU 140 CO -0.00 0.84 -0.01 1.96 -1.16 0.00 0.00 179.01 180.64 1jkn h GLN 141 N 0.03 -0.03 -0.76 2.33 1.08 0.42 -2.79 115.11 115.39 1jkn h GLN 141 Ca -0.29 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.09 1jkn h GLN 141 Cb 2.00 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 29.40 1jkn h GLN 141 CO 0.10 0.50 0.52 1.25 -0.95 0.00 0.00 178.83 180.25 1jkn h LEU 142 N -0.58 0.25 -1.40 1.46 5.85 -1.04 1.09 115.31 120.93 1jkn h LEU 142 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1jkn h LEU 142 Cb 0.54 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1jkn h LEU 142 CO 0.01 0.12 -0.29 0.40 -0.34 0.00 0.00 178.44 178.33 1jkn h ILE 143 N 0.26 1.01 0.00 4.05 1.08 -1.55 0.74 117.51 123.10 1jkn h ILE 143 Ca 0.38 -1.06 -0.06 0.00 -0.39 0.00 0.00 64.86 63.73 1jkn h ILE 143 Cb 1.09 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1jkn h ILE 143 CO -0.09 0.28 -0.30 -0.78 -0.69 0.00 0.00 178.15 176.58 1jkn h ASP 144 N 0.00 0.00 0.25 1.72 3.58 0.15 -3.26 116.42 118.85 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 1jkn h ASP 144 Cb 0.58 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.65 1jkn h ASP 144 CO 0.04 0.26 -1.62 -0.07 -2.88 0.00 0.00 179.24 174.97 1jkn h LEU 145 N 0.00 0.69 -9.97 2.28 3.38 -0.33 -3.47 115.31 107.90 1jkn h LEU 145 Ca -0.01 -0.89 -0.49 0.00 0.09 0.00 0.00 57.88 56.59 1jkn h LEU 145 Cb 1.21 -0.23 0.22 0.00 0.09 0.00 0.00 40.66 41.95 1jkn h LEU 145 CO 0.03 1.73 -0.34 0.41 0.09 0.00 0.00 178.44 180.36 1jkn n THR 146 N -3.63 0.00 -3.96 0.22 -1.04 0.17 -4.52 114.28 101.51 1jkn n THR 146 Ca -0.21 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.05 61.35 1jkn n THR 146 Cb 1.09 -0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 68.76 1jkn n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jkn s VAL 147 N -2.42 5.00 0.27 12.58 0.11 -1.26 -4.84 120.40 129.84 1jkn s VAL 147 Ca 0.62 -1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1jkn s VAL 147 Cb -0.21 -3.73 0.31 0.00 -1.53 0.00 0.00 36.38 31.22 1jkn s VAL 147 CO 0.64 -0.32 1.63 -0.33 -3.33 0.00 0.00 175.10 173.40 1jkn h GLU 148 N 1.22 0.14 0.00 1.54 5.08 -1.96 1.09 114.58 121.69 1jkn h GLU 148 Ca -0.51 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jkn h GLU 148 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1jkn h GLU 148 CO 0.60 0.09 0.00 1.97 -1.00 0.00 0.00 179.01 180.68 1jkn n PHE 149 N -5.30 0.00 -0.05 4.33 1.16 -1.26 -2.96 117.46 113.37 1jkn n PHE 149 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.76 1jkn n PHE 149 Cb 0.60 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 38.21 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 -1.25 2.11 0.33 3.97 5.02 0.29 -4.54 118.16 124.08 1jkn n LYS 150 Ca 0.12 -0.27 -0.15 0.00 -2.02 0.00 0.00 58.31 55.99 1jkn n LYS 150 Cb 0.17 -0.75 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.89 -0.39 1.97 1.57 0.88 -1.07 116.57 118.63 1jkn h LYS 151 Ca 0.00 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jkn h LYS 151 Cb 0.03 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1jkn h LYS 151 CO 0.00 -0.59 0.23 -1.00 -0.57 0.00 0.00 179.45 177.51 1jkn h PRO 152 N -0.93 0.54 -0.22 3.15 0.13 -1.86 0.49 132.00 133.30 1jkn h PRO 152 Ca -0.08 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1jkn h PRO 152 Cb 0.74 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jkn h PRO 152 CO 0.08 0.42 0.21 0.28 -0.23 0.00 0.00 178.00 178.75 1jkn h VAL 153 N 0.51 0.60 0.00 1.56 2.07 -1.83 0.75 116.25 119.90 1jkn h VAL 153 Ca 0.14 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.46 1jkn h VAL 153 Cb 0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1jkn h VAL 153 CO -0.02 0.00 -1.22 -1.22 0.02 0.00 0.00 177.57 175.12 1jkn n TYR 154 N -4.02 0.88 -0.24 1.57 4.02 -0.41 -3.77 117.16 115.20 1jkn n TYR 154 Ca 0.03 0.38 0.25 0.00 -0.01 0.00 0.00 57.90 58.55 1jkn n TYR 154 Cb 0.35 -1.01 0.62 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.28 -0.72 3.64 0.28 0.42 116.57 119.09 1jkn h LYS 155 Ca -0.30 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1jkn h LYS 155 Cb 1.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jkn h LYS 155 CO -0.18 0.12 0.06 1.49 -2.27 0.00 0.00 179.45 178.67 1jkn h GLU 156 N 0.19 0.46 0.21 1.90 4.57 -1.02 0.51 114.58 121.39 1jkn h GLU 156 Ca 0.48 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1jkn h GLU 156 Cb 1.56 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1jkn h GLU 156 CO -0.11 0.55 -0.12 0.28 -1.18 0.00 0.00 179.01 178.43 1jkn h VAL 157 N 0.28 0.74 -0.08 0.32 2.07 -0.33 -0.47 116.25 118.78 1jkn h VAL 157 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1jkn h VAL 157 Cb 0.31 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1jkn h VAL 157 CO 0.00 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.58 1jkn h LEU 158 N -0.32 0.09 -0.71 2.57 3.38 -1.09 -0.57 115.31 118.66 1jkn h LEU 158 Ca -0.02 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.10 1jkn h LEU 158 Cb 0.26 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.88 1jkn h LEU 158 CO 0.03 0.07 0.13 0.28 0.09 0.00 0.00 178.44 179.03 1jkn h SER 159 N 0.11 -0.07 0.71 -0.43 0.02 0.25 1.81 113.55 115.94 1jkn h SER 159 Ca 0.03 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jkn h SER 159 Cb -0.01 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1jkn h SER 159 CO -0.01 -0.06 -0.25 0.58 -1.14 0.00 0.00 176.83 175.94 1jkn h VAL 160 N 0.22 0.71 -0.56 2.27 2.07 -0.65 -2.67 116.25 117.64 1jkn h VAL 160 Ca 0.39 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1jkn h VAL 160 Cb 0.66 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1jkn h VAL 160 CO -0.52 0.25 0.00 0.49 0.02 0.00 0.00 177.57 177.81 1jkn n PHE 161 N -3.55 0.99 0.19 1.57 3.72 0.23 -4.65 117.46 115.96 1jkn n PHE 161 Ca -0.01 -0.57 -0.16 0.00 -0.05 0.00 0.00 57.45 56.66 1jkn n PHE 161 Cb 0.40 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.74 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 3.37 -0.90 -0.06 4.37 0.00 0.27 -0.77 119.26 125.55 1jkn h ALA 162 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jkn h ALA 162 Cb 1.10 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1jkn h ALA 162 CO 0.09 -1.06 0.18 -1.00 0.00 0.00 0.00 179.25 177.46 1jkn h PRO 163 N -0.79 0.00 0.00 0.00 0.13 -1.82 0.27 132.00 129.78 1jkn h PRO 163 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1jkn h PRO 163 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1jkn h PRO 163 CO -0.15 0.00 -0.63 0.72 -0.23 0.00 0.00 178.00 177.71 1jkn n HIS 164 N -3.25 0.25 0.48 1.56 8.25 -0.56 -5.22 115.22 116.72 1jkn n HIS 164 Ca -0.01 0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.58 1jkn n HIS 164 Cb 0.25 -0.43 0.05 0.00 1.12 0.00 0.00 29.99 30.98 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26