#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkn s SER 1 N 0.00 0.18 -0.08 1.61 1.04 -1.23 -4.89 113.70 110.33 2jkn s SER 1 Ca 0.00 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 2jkn s SER 1 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2jkn s SER 1 CO 0.00 -0.40 0.50 0.12 0.98 0.00 0.00 173.24 174.44 2jkn s PHE 2 N -1.92 3.57 -0.26 5.02 2.19 -1.26 -2.09 117.98 123.23 2jkn s PHE 2 Ca -0.11 0.97 -0.06 0.00 0.33 0.00 0.00 56.93 58.06 2jkn s PHE 2 Cb -0.06 -2.54 -0.00 0.00 -1.31 0.00 0.00 43.02 39.11 2jkn s PHE 2 CO -0.02 0.25 0.04 0.99 1.83 0.00 0.00 175.22 178.32 2jkn s THR 3 N 0.29 3.85 0.15 0.12 2.01 0.03 -4.98 115.64 117.11 2jkn s THR 3 Ca 0.27 -0.54 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 2jkn s THR 3 Cb -0.16 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 2jkn s THR 3 CO 0.12 0.23 1.49 -2.84 -0.69 0.00 0.00 174.62 172.93 2jkn s PRO 4 N 1.51 4.26 -0.37 4.92 0.02 -1.26 -1.68 135.00 142.40 2jkn s PRO 4 Ca 0.04 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 2jkn s PRO 4 Cb -0.16 -3.19 0.19 0.00 0.02 0.00 0.00 34.50 31.36 2jkn s PRO 4 CO 0.01 -0.52 0.86 0.45 -0.33 0.00 0.00 177.00 177.47 2jkn s SER 5 N 1.07 -0.88 0.00 2.53 0.15 -0.45 -4.92 113.70 111.20 2jkn s SER 5 Ca 0.67 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2jkn s SER 5 Cb -0.41 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2jkn s SER 5 CO 0.32 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2jkn n GLY 6 N 3.88 0.01 3.67 9.45 0.00 -1.18 -3.38 105.19 117.63 2jkn n GLY 6 Ca 0.09 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 2jkn n GLY 6 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jkn n THR 7 N 9.00 0.00 -5.07 2.61 -2.24 -1.26 -4.68 114.28 112.64 2jkn n THR 7 Ca 0.00 -2.12 -0.32 0.00 -2.27 0.00 0.00 64.05 59.34 2jkn n THR 7 Cb 0.00 -0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.06 2jkn n THR 7 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2jkn s THR 8 N -2.65 2.43 -0.14 4.28 2.01 -1.26 -1.50 115.64 118.81 2jkn s THR 8 Ca 0.28 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 2jkn s THR 8 Cb -0.02 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 2jkn s THR 8 CO 0.18 0.55 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.78 2jkn s GLY 9 N 0.21 1.71 -0.20 4.40 0.00 -0.14 -4.98 107.32 108.33 2jkn s GLY 9 Ca -0.13 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 2jkn s GLY 9 CO 0.07 -0.20 -0.16 -1.59 0.00 0.00 0.00 173.10 171.22 2jkn s THR 10 N 0.12 2.37 -0.26 0.90 2.01 -1.26 -1.25 115.64 118.27 2jkn s THR 10 Ca -0.01 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 2jkn s THR 10 Cb -0.14 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2jkn s THR 10 CO 0.03 0.48 0.26 -0.89 -0.69 0.00 0.00 174.62 173.80 2jkn s THR 11 N 1.32 5.27 0.03 -0.82 2.01 0.53 -4.96 115.64 119.02 2jkn s THR 11 Ca 0.04 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.46 2jkn s THR 11 Cb -0.14 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2jkn s THR 11 CO -0.10 0.24 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.27 2jkn s LYS 12 N 1.70 1.90 -0.14 4.92 1.02 -1.26 -0.82 119.74 127.06 2jkn s LYS 12 Ca 0.10 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 54.97 2jkn s LYS 12 Cb -0.15 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.20 2jkn s LYS 12 CO 0.09 0.53 0.32 -1.17 -0.92 0.00 0.00 175.35 174.20 2jkn s LEU 13 N -1.12 -0.04 -0.20 3.17 2.96 0.15 -4.65 118.68 118.94 2jkn s LEU 13 Ca 0.12 0.70 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 2jkn s LEU 13 Cb -0.10 0.97 -0.05 0.00 0.50 0.00 0.00 46.19 47.51 2jkn s LEU 13 CO 0.02 -0.20 0.26 -0.89 -1.32 0.00 0.00 176.35 174.22 2jkn s THR 14 N 1.77 5.31 -0.17 3.68 2.01 -0.48 -0.16 115.64 127.60 2jkn s THR 14 Ca -0.06 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.30 2jkn s THR 14 Cb -0.10 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2jkn s THR 14 CO -0.10 0.35 0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 2jkn s VAL 15 N 0.85 5.07 0.40 3.82 1.01 0.80 -1.04 120.40 131.31 2jkn s VAL 15 Ca 0.13 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2jkn s VAL 15 Cb -0.13 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2jkn s VAL 15 CO 0.04 0.50 0.11 0.42 0.00 0.00 0.00 175.10 176.17 2jkn s THR 16 N 0.01 0.70 0.48 3.92 -4.23 0.17 -1.22 115.64 115.46 2jkn s THR 16 Ca 0.08 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 2jkn s THR 16 Cb -0.12 -2.41 0.10 0.00 1.34 0.00 0.00 72.50 71.41 2jkn s THR 16 CO 0.00 0.00 0.66 -0.62 -0.54 0.00 0.00 174.62 174.12 2jkn n GLU 17 N -0.88 -0.11 -0.13 3.99 -0.58 -1.26 -0.87 120.64 120.79 2jkn n GLU 17 Ca -0.06 -1.52 -0.06 0.00 -0.42 0.00 0.00 57.16 55.10 2jkn n GLU 17 Cb 0.65 -0.53 0.02 0.00 -0.57 0.00 0.00 31.44 31.02 2jkn n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkn h LYS 18 N 0.00 0.43 -6.52 3.49 3.11 -1.97 -3.34 116.57 111.77 2jkn h LYS 18 Ca -0.22 -0.03 -0.56 0.00 -2.81 0.00 0.00 60.65 57.03 2jkn h LYS 18 Cb 0.73 -0.10 -0.08 0.00 -1.00 0.00 0.00 32.23 31.78 2jkn h LYS 18 CO 0.20 0.28 0.89 0.00 -2.81 0.00 0.00 179.45 178.01 2jkn s GLN 20 N 4.58 2.91 -0.40 0.00 0.74 -1.25 -5.07 119.66 121.18 2jkn s GLN 20 Ca 0.43 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 2jkn s GLN 20 Cb -0.08 -2.45 0.10 0.00 1.10 0.00 0.00 33.01 31.67 2jkn s GLN 20 CO 0.27 -0.14 0.18 0.08 -0.55 0.00 0.00 175.29 175.14 2jkn s VAL 21 N 1.12 3.35 -0.31 1.34 1.01 -1.26 -5.07 120.40 120.58 2jkn s VAL 21 Ca 0.00 -1.89 -0.27 0.00 0.00 0.00 0.00 61.98 59.82 2jkn s VAL 21 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jkn s VAL 21 CO -0.08 -0.59 0.95 -0.13 0.00 0.00 0.00 175.10 175.25 2jkn s ARG 22 N 1.19 4.02 -0.17 2.72 0.52 -1.26 -5.03 118.95 120.93 2jkn s ARG 22 Ca 0.06 0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 56.10 2jkn s ARG 22 Cb -0.22 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.49 2jkn s ARG 22 CO -0.03 -0.81 -0.04 0.08 0.02 0.00 0.00 175.30 174.52 2jkn s VAL 23 N 3.35 3.70 0.00 3.52 1.01 -1.26 -5.02 120.40 125.71 2jkn s VAL 23 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2jkn s VAL 23 Cb -0.13 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2jkn s VAL 23 CO 0.14 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jkn n GLY 24 N 3.89 -1.13 3.71 4.51 0.00 -1.26 -4.94 105.19 109.98 2jkn n GLY 24 Ca -0.18 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 2jkn n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkn s ASP 25 N -4.00 3.93 0.25 1.61 -0.00 -1.26 -4.91 116.67 112.29 2jkn s ASP 25 Ca 0.00 2.44 -0.31 0.00 -0.00 0.00 0.00 52.55 54.68 2jkn s ASP 25 Cb 0.00 -2.60 -0.13 0.00 -0.00 0.00 0.00 42.92 40.19 2jkn s ASP 25 CO 0.00 -2.45 1.46 -0.11 -0.00 0.00 0.00 175.17 174.07 2jkn n LEU 26 N -2.85 3.44 -4.20 1.23 7.94 -1.26 -5.01 117.00 116.28 2jkn n LEU 26 Ca 0.14 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 56.06 2jkn n LEU 26 Cb 0.50 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 2jkn n LEU 26 CO 0.48 -0.32 -0.24 0.42 -1.11 0.00 0.00 177.39 176.62 2jkn s THR 27 N -0.04 0.01 -0.29 1.96 -4.23 -1.26 -5.11 115.64 106.67 2jkn s THR 27 Ca 0.67 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.89 2jkn s THR 27 Cb -0.61 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 70.74 2jkn s THR 27 CO 0.49 0.00 1.14 -0.69 -0.54 0.00 0.00 174.62 175.02 2jkn s VAL 28 N -4.13 4.42 0.02 2.29 1.01 -1.26 -5.01 120.40 117.73 2jkn s VAL 28 Ca 0.39 1.65 0.02 0.00 0.00 0.00 0.00 61.98 64.04 2jkn s VAL 28 Cb 0.07 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2jkn s VAL 28 CO 0.12 -0.41 -0.06 0.00 0.00 0.00 0.00 175.10 174.75 2jkn s ALA 29 N 3.74 0.48 0.04 5.51 0.00 -1.26 -1.38 121.76 128.90 2jkn s ALA 29 Ca 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2jkn s ALA 29 Cb -0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2jkn s ALA 29 CO 0.16 0.05 -0.04 0.15 0.00 0.00 0.00 175.76 176.08 2jkn s LYS 30 N -0.74 0.45 0.53 0.00 1.02 -0.21 -4.96 119.74 115.84 2jkn s LYS 30 Ca -0.03 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.01 2jkn s LYS 30 Cb -0.05 0.05 -0.06 0.00 -0.52 0.00 0.00 37.83 37.25 2jkn s LYS 30 CO 0.00 -0.05 0.95 0.95 -0.92 0.00 0.00 175.35 176.28 2jkn s THR 31 N -2.18 4.68 0.50 2.17 -4.23 -1.26 -0.66 115.64 114.66 2jkn s THR 31 Ca -0.08 0.89 0.25 0.00 -1.18 0.00 0.00 61.69 61.58 2jkn s THR 31 Cb -0.05 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 70.30 2jkn s THR 31 CO -0.03 -0.86 2.14 0.08 -0.54 0.00 0.00 174.62 175.41 2jkn h ARG 32 N 0.42 0.00 0.00 3.99 0.11 -1.30 -1.24 114.38 116.36 2jkn h ARG 32 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2jkn h ARG 32 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jkn h ARG 32 CO 0.62 0.07 -0.07 0.78 0.10 0.00 0.00 179.97 181.47 2jkn h GLY 33 N 0.37 0.00 1.27 0.08 0.00 -1.85 -1.48 103.07 101.47 2jkn h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkn h GLY 33 CO 0.01 0.00 -0.09 -1.06 0.00 0.00 0.00 176.54 175.40 2jkn n GLN 34 N -3.98 0.45 -1.45 4.80 6.02 -0.47 -4.36 117.38 118.39 2jkn n GLN 34 Ca -0.03 -0.11 -0.35 0.00 -0.01 0.00 0.00 57.00 56.50 2jkn n GLN 34 Cb 0.16 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2jkn n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkn n LEU 35 N -1.18 8.04 -4.90 1.08 4.77 -0.56 -4.84 117.00 119.41 2jkn n LEU 35 Ca 0.13 -4.34 -0.28 0.00 -0.03 0.00 0.00 56.01 51.49 2jkn n LEU 35 Cb 0.28 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2jkn n LEU 35 CO 0.25 2.01 0.58 0.42 -1.33 0.00 0.00 177.39 179.32 2jkn s THR 36 N 0.95 3.91 0.23 -5.08 -4.23 -1.26 -1.61 115.64 108.54 2jkn s THR 36 Ca 0.65 0.20 -0.32 0.00 -1.18 0.00 0.00 61.69 61.04 2jkn s THR 36 Cb 0.21 -3.56 -0.12 0.00 1.34 0.00 0.00 72.50 70.37 2jkn s THR 36 CO -0.07 -0.62 1.62 -0.67 -0.54 0.00 0.00 174.62 174.34 2jkn n ASP 37 N -2.63 3.61 0.00 3.99 2.03 -1.26 -1.77 116.55 120.52 2jkn n ASP 37 Ca 0.04 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2jkn n ASP 37 Cb 0.57 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2jkn n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkn n ALA 38 N 3.09 0.00 -1.84 -1.67 0.00 0.10 -4.94 120.51 115.25 2jkn n ALA 38 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2jkn n ALA 38 Cb 0.34 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 2jkn n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkn s ALA 39 N -2.19 3.71 0.24 0.00 0.00 -0.73 -4.59 121.76 118.20 2jkn s ALA 39 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2jkn s ALA 39 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2jkn s ALA 39 CO 0.00 -0.84 1.07 -1.25 0.00 0.00 0.00 175.76 174.74 2jkn s PRO 40 N -0.09 4.67 -0.25 0.00 0.04 -1.26 -0.19 135.00 137.92 2jkn s PRO 40 Ca 0.63 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.36 2jkn s PRO 40 Cb -0.45 -3.23 -0.17 0.00 0.04 0.00 0.00 34.50 30.69 2jkn s PRO 40 CO 0.42 0.23 -0.19 -0.89 0.04 0.00 0.00 177.00 176.62 2jkn n ILE 41 N 1.60 1.53 0.00 0.56 5.41 0.13 -4.90 119.36 123.69 2jkn n ILE 41 Ca -0.00 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.22 2jkn n ILE 41 Cb 0.46 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 2jkn n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkn n GLY 42 N 2.01 1.94 3.91 7.39 0.00 -1.18 -5.02 105.19 114.24 2jkn n GLY 42 Ca -0.46 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 2jkn n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkn s PRO 43 N -2.00 3.59 -0.12 1.61 0.04 -1.26 -1.67 135.00 135.20 2jkn s PRO 43 Ca 0.00 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 60.99 2jkn s PRO 43 Cb 0.00 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.96 2jkn s PRO 43 CO 0.00 0.15 -0.05 0.08 0.04 0.00 0.00 177.00 177.22 2jkn s VAL 44 N -2.22 0.86 0.40 -0.36 1.01 0.45 -4.96 120.40 115.58 2jkn s VAL 44 Ca 0.43 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2jkn s VAL 44 Cb -0.10 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 2jkn s VAL 44 CO 0.33 0.27 1.00 0.42 0.00 0.00 0.00 175.10 177.12 2jkn s THR 45 N 1.77 3.98 -0.03 3.92 -4.23 -1.26 -0.44 115.64 119.34 2jkn s THR 45 Ca 0.04 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 2jkn s THR 45 Cb -0.13 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.03 2jkn s THR 45 CO -0.07 -0.06 0.00 -0.69 -0.54 0.00 0.00 174.62 173.25 2jkn s VAL 46 N -1.80 0.19 -0.21 2.29 1.01 0.13 -4.92 120.40 117.09 2jkn s VAL 46 Ca 0.58 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 2jkn s VAL 46 Cb -0.18 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 35.98 2jkn s VAL 46 CO 0.23 0.15 0.08 -1.10 0.00 0.00 0.00 175.10 174.47 2jkn s GLN 47 N 1.10 0.29 -0.03 2.72 -1.52 -1.26 -1.11 119.66 119.85 2jkn s GLN 47 Ca -0.09 -0.33 -0.09 0.00 -1.95 0.00 0.00 55.36 52.90 2jkn s GLN 47 Cb -0.13 -1.78 -0.05 0.00 -0.22 0.00 0.00 33.01 30.83 2jkn s GLN 47 CO -0.02 -0.76 0.28 0.00 -0.25 0.00 0.00 175.29 174.55 2jkn s ALA 48 N 2.02 3.80 -0.01 6.09 0.00 -0.57 -5.02 121.76 128.08 2jkn s ALA 48 Ca 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2jkn s ALA 48 Cb -0.16 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 2jkn s ALA 48 CO -0.16 0.58 -0.06 -0.51 0.00 0.00 0.00 175.76 175.61 2jkn s LEU 49 N -1.35 1.97 -0.66 0.00 1.02 -1.26 -4.58 118.68 113.82 2jkn s LEU 49 Ca 0.23 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.27 2jkn s LEU 49 Cb -0.14 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 45.74 2jkn s LEU 49 CO 0.12 0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.17 2jkn n GLY 50 N 2.98 0.71 1.49 -3.19 0.00 -1.26 -4.94 105.19 100.98 2jkn n GLY 50 Ca -0.14 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 2jkn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkn h ASP 52 N 1.12 0.00 -0.05 0.00 3.45 -1.92 -2.21 116.42 116.81 2jkn h ASP 52 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2jkn h ASP 52 Cb 1.84 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.61 2jkn h ASP 52 CO 0.62 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.29 2jkn n ALA 53 N -2.47 2.40 -2.44 3.45 0.00 -1.26 -3.76 120.51 116.42 2jkn n ALA 53 Ca 0.01 -2.56 -0.15 0.00 0.00 0.00 0.00 53.44 50.74 2jkn n ALA 53 Cb 0.27 -0.44 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 2jkn n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkn s ARG 54 N -2.86 0.91 -0.31 0.00 1.81 -0.96 -4.93 118.95 112.60 2jkn s ARG 54 Ca 0.34 -1.22 -0.19 0.00 -1.72 0.00 0.00 55.73 52.94 2jkn s ARG 54 Cb 0.29 -0.61 -0.01 0.00 -0.45 0.00 0.00 34.95 34.17 2jkn s ARG 54 CO 0.04 0.10 0.57 -0.65 -0.68 0.00 0.00 175.30 174.67 2jkn s GLN 55 N -2.93 3.84 0.42 3.54 -0.21 -1.26 -1.67 119.66 121.40 2jkn s GLN 55 Ca 0.08 0.15 -0.26 0.00 0.02 0.00 0.00 55.36 55.35 2jkn s GLN 55 Cb -0.02 -3.74 -0.10 0.00 1.00 0.00 0.00 33.01 30.15 2jkn s GLN 55 CO 0.01 -0.55 1.39 0.28 -2.12 0.00 0.00 175.29 174.29 2jkn n VAL 56 N 5.36 2.52 -3.84 1.09 0.31 -1.26 -1.34 118.33 121.18 2jkn n VAL 56 Ca -0.03 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.70 2jkn n VAL 56 Cb 0.49 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 2jkn n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkn s ALA 57 N -1.17 -0.34 -0.04 3.52 0.00 -0.02 -0.83 121.76 122.87 2jkn s ALA 57 Ca 0.59 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.17 2jkn s ALA 57 Cb -0.48 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2jkn s ALA 57 CO 0.59 -0.44 -0.13 -0.51 0.00 0.00 0.00 175.76 175.27 2jkn s LEU 58 N -2.46 1.80 -0.13 0.00 2.01 -0.12 -1.27 118.68 118.52 2jkn s LEU 58 Ca -0.00 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 53.88 2jkn s LEU 58 Cb 0.02 -0.78 -0.00 0.00 0.01 0.00 0.00 46.19 45.44 2jkn s LEU 58 CO -0.07 0.09 -0.20 -0.75 1.01 0.00 0.00 176.35 176.43 2jkn s LYS 59 N 0.23 3.13 0.43 1.70 2.20 0.11 -0.52 119.74 127.01 2jkn s LYS 59 Ca -0.06 -0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 54.51 2jkn s LYS 59 Cb -0.11 -2.45 -0.10 0.00 -1.51 0.00 0.00 37.83 33.66 2jkn s LYS 59 CO 0.02 0.10 1.00 0.00 -0.36 0.00 0.00 175.35 176.11 2jkn s ALA 60 N 0.55 3.02 0.70 3.13 0.00 0.03 -1.02 121.76 128.17 2jkn s ALA 60 Ca -0.12 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 2jkn s ALA 60 Cb -0.17 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 2jkn s ALA 60 CO 0.04 -0.09 0.98 -0.25 0.00 0.00 0.00 175.76 176.44 2jkn n ASP 61 N -0.46 0.60 -0.33 0.00 9.92 -0.62 -4.86 116.55 120.81 2jkn n ASP 61 Ca 0.07 0.69 0.14 0.00 -0.53 0.00 0.00 54.79 55.16 2jkn n ASP 61 Cb 0.52 -1.41 0.36 0.00 -0.64 0.00 0.00 41.12 39.95 2jkn n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jkn h THR 62 N -0.12 0.71 0.00 -3.53 2.02 -1.94 -0.47 112.91 109.57 2jkn h THR 62 Ca -0.48 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2jkn h THR 62 Cb 1.34 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2jkn h THR 62 CO 0.48 0.13 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkn n ASP 63 N -4.70 0.00 -0.47 4.18 8.00 -1.26 -3.43 116.55 118.88 2jkn n ASP 63 Ca 0.22 -0.72 0.04 0.00 0.71 0.00 0.00 54.79 55.05 2jkn n ASP 63 Cb 0.60 -0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.79 2jkn n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkn n ASN 64 N -1.01 2.51 -3.84 -2.24 5.03 -0.19 -4.77 115.26 110.76 2jkn n ASN 64 Ca 0.18 -1.86 -0.12 0.00 0.87 0.00 0.00 54.58 53.65 2jkn n ASN 64 Cb 0.08 -0.14 -0.09 0.00 -1.02 0.00 0.00 39.78 38.61 2jkn n ASN 64 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jkn s PHE 65 N -0.94 -0.02 -0.22 3.10 -0.12 -1.22 -1.26 117.98 117.30 2jkn s PHE 65 Ca 0.16 -0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 56.97 2jkn s PHE 65 Cb 0.09 -0.01 0.10 0.00 -0.63 0.00 0.00 43.02 42.57 2jkn s PHE 65 CO 0.12 -0.32 0.21 -1.21 -0.05 0.00 0.00 175.22 173.97 2jkn s GLU 66 N -1.42 0.20 4.62 1.99 2.02 -0.10 -4.99 118.70 121.01 2jkn s GLU 66 Ca -0.14 0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2jkn s GLU 66 Cb -0.07 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.97 2jkn s GLU 66 CO 0.02 -0.74 0.00 1.04 0.02 0.00 0.00 175.26 175.60 2jkn n GLN 67 N 5.31 0.00 -0.19 1.61 6.02 -1.26 -1.37 117.38 127.50 2jkn n GLN 67 Ca -0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.03 2jkn n GLN 67 Cb 0.48 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.92 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkn n GLY 68 N 0.00 4.66 3.45 1.08 0.00 -1.26 -3.90 105.19 109.22 2jkn n GLY 68 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 2jkn n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkn s LYS 69 N -2.88 2.53 0.15 1.61 1.02 -0.47 -5.02 119.74 116.69 2jkn s LYS 69 Ca 0.35 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.67 2jkn s LYS 69 Cb 0.30 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2jkn s LYS 69 CO 0.04 0.59 0.16 -0.06 -0.92 0.00 0.00 175.35 175.16 2jkn s PHE 70 N -0.64 3.21 -0.17 3.18 0.40 -1.26 -0.93 117.98 121.78 2jkn s PHE 70 Ca 0.10 0.02 -0.28 0.00 -0.60 0.00 0.00 56.93 56.16 2jkn s PHE 70 Cb -0.11 -1.55 0.09 0.00 0.51 0.00 0.00 43.02 41.96 2jkn s PHE 70 CO 0.01 0.52 0.81 -0.59 0.70 0.00 0.00 175.22 176.67 2jkn s PHE 71 N -1.72 -0.61 0.63 0.36 -0.12 -0.39 -2.05 117.98 114.09 2jkn s PHE 71 Ca 0.31 1.25 -0.15 0.00 -0.05 0.00 0.00 56.93 58.30 2jkn s PHE 71 Cb -0.10 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 2jkn s PHE 71 CO 0.24 -0.43 1.07 -0.51 -0.05 0.00 0.00 175.22 175.54 2jkn s LEU 72 N -0.52 3.41 -0.02 -1.99 1.02 0.02 -4.52 118.68 116.08 2jkn s LEU 72 Ca -0.04 1.84 0.04 0.00 0.02 0.00 0.00 54.13 55.99 2jkn s LEU 72 Cb -0.02 -4.53 -0.01 0.00 0.02 0.00 0.00 46.19 41.65 2jkn s LEU 72 CO 0.03 -1.35 -0.14 -0.51 0.02 0.00 0.00 176.35 174.40 2jkn s ILE 73 N -2.52 1.09 0.92 -0.59 1.10 -0.33 -1.64 121.20 119.23 2jkn s ILE 73 Ca 0.64 -0.58 -0.11 0.00 -0.51 0.00 0.00 60.65 60.09 2jkn s ILE 73 Cb -0.17 -0.92 0.15 0.00 0.15 0.00 0.00 42.46 41.67 2jkn s ILE 73 CO 0.41 0.31 1.11 -0.94 -2.11 0.00 0.00 174.94 173.73 2jkn s SER 74 N -0.21 3.02 0.40 4.50 1.04 -0.16 -1.31 113.70 120.97 2jkn s SER 74 Ca 0.03 1.94 0.11 0.00 0.48 0.00 0.00 55.95 58.51 2jkn s SER 74 Cb -0.06 -2.47 0.91 0.00 0.10 0.00 0.00 66.02 64.49 2jkn s SER 74 CO -0.00 -3.00 1.95 0.44 0.98 0.00 0.00 173.24 173.61 2jkn h ASP 75 N -1.80 0.51 -0.10 7.02 3.32 -1.64 -0.78 116.42 122.95 2jkn h ASP 75 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jkn h ASP 75 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2jkn h ASP 75 CO 0.46 0.30 0.00 -0.46 -1.72 0.00 0.00 179.24 177.83 2jkn n ASN 76 N -4.49 0.90 0.00 6.45 6.94 -1.26 -4.90 115.26 118.90 2jkn n ASN 76 Ca 0.12 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 2jkn n ASN 76 Cb 0.36 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 2jkn n ASN 76 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2jkn n ASN 77 N -0.16 -0.56 -0.05 0.53 5.15 -0.30 -4.88 115.26 114.99 2jkn n ASN 77 Ca 0.14 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.92 2jkn n ASN 77 Cb 0.20 -1.14 -0.13 0.00 -0.53 0.00 0.00 39.78 38.18 2jkn n ASN 77 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2jkn h ARG 78 N 1.59 0.10 -5.52 1.20 2.43 -1.91 -3.46 114.38 108.81 2jkn h ARG 78 Ca 0.00 -0.17 -0.65 0.00 -0.81 0.00 0.00 59.98 58.35 2jkn h ARG 78 Cb 0.05 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 2jkn h ARG 78 CO 0.00 1.08 -0.49 -0.51 -1.51 0.00 0.00 179.97 178.54 2jkn s ASP 79 N -6.80 6.30 -0.00 -3.80 1.01 -1.26 -4.95 116.67 107.16 2jkn s ASP 79 Ca -0.23 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.42 2jkn s ASP 79 Cb 0.04 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2jkn s ASP 79 CO 0.68 0.33 0.02 -0.54 0.21 0.00 0.00 175.17 175.87 2jkn s LYS 80 N -0.57 2.84 -0.34 8.23 1.02 -1.26 -0.99 119.74 128.68 2jkn s LYS 80 Ca 0.13 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.54 2jkn s LYS 80 Cb -0.12 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.59 2jkn s LYS 80 CO 0.02 0.63 0.10 -1.17 -0.92 0.00 0.00 175.35 174.01 2jkn s LEU 81 N -1.60 3.23 0.31 3.17 2.96 -0.65 -4.97 118.68 121.12 2jkn s LEU 81 Ca 0.20 -1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 51.88 2jkn s LEU 81 Cb -0.12 -1.17 -0.10 0.00 0.50 0.00 0.00 46.19 45.30 2jkn s LEU 81 CO 0.11 -0.39 1.37 -0.31 -1.32 0.00 0.00 176.35 175.81 2jkn s TYR 82 N 1.21 3.00 0.07 5.38 1.51 -1.26 -0.80 117.35 126.45 2jkn s TYR 82 Ca 0.11 1.26 0.01 0.00 -1.01 0.00 0.00 57.07 57.44 2jkn s TYR 82 Cb -0.19 -3.76 -0.04 0.00 -0.11 0.00 0.00 41.96 37.87 2jkn s TYR 82 CO -0.16 -2.23 -0.05 0.14 -1.11 0.00 0.00 175.55 172.13 2jkn s VAL 83 N -0.74 0.45 0.02 0.71 -7.23 -0.87 -0.64 120.40 112.11 2jkn s VAL 83 Ca 0.53 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2jkn s VAL 83 Cb -0.41 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2jkn s VAL 83 CO 0.50 -0.86 0.04 0.20 -0.31 0.00 0.00 175.10 174.67 2jkn s ASN 84 N -2.78 5.34 -0.13 4.85 0.01 0.28 -4.26 114.94 118.26 2jkn s ASN 84 Ca 0.06 0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 2jkn s ASN 84 Cb 0.04 -1.43 -0.00 0.00 0.41 0.00 0.00 41.25 40.27 2jkn s ASN 84 CO -0.06 0.25 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.96 2jkn s ILE 85 N -1.19 2.45 -0.18 0.60 1.01 -1.26 -1.74 121.20 120.88 2jkn s ILE 85 Ca 0.23 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 2jkn s ILE 85 Cb -0.12 -1.99 0.07 0.00 0.01 0.00 0.00 42.46 40.42 2jkn s ILE 85 CO 0.14 0.54 0.44 -0.60 0.00 0.00 0.00 174.94 175.45 2jkn s ARG 86 N 0.55 0.41 0.59 2.79 3.52 -0.61 -4.98 118.95 121.21 2jkn s ARG 86 Ca -0.12 0.86 -0.20 0.00 -0.13 0.00 0.00 55.73 56.15 2jkn s ARG 86 Cb -0.16 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.24 2jkn s ARG 86 CO 0.04 -0.17 1.27 -1.25 -0.81 0.00 0.00 175.30 174.38 2jkn s PRO 87 N 1.61 2.95 0.37 5.12 0.04 -1.26 -0.53 135.00 143.29 2jkn s PRO 87 Ca -0.08 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.16 2jkn s PRO 87 Cb -0.09 -2.03 0.43 0.00 0.04 0.00 0.00 34.50 32.85 2jkn s PRO 87 CO -0.13 -1.27 1.61 1.79 0.04 0.00 0.00 177.00 179.04 2jkn h THR 88 N 1.01 0.60 -2.31 1.26 1.35 -1.45 -3.45 112.91 109.91 2jkn h THR 88 Ca -0.51 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 2jkn h THR 88 Cb 1.31 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 2jkn h THR 88 CO 0.55 0.31 0.00 -0.90 -0.25 0.00 0.00 175.52 175.23 2jkn n ASP 89 N -3.26 0.00 -2.05 5.36 3.85 -1.26 -4.98 116.55 114.21 2jkn n ASP 89 Ca 0.02 -0.78 -0.20 0.00 -0.71 0.00 0.00 54.79 53.11 2jkn n ASP 89 Cb 0.59 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.52 2jkn n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkn n ASN 90 N -2.35 3.69 -4.80 -1.12 5.03 -1.26 -4.99 115.26 109.47 2jkn n ASN 90 Ca 0.00 -3.38 -0.35 0.00 0.87 0.00 0.00 54.58 51.72 2jkn n ASN 90 Cb 0.00 -0.79 -0.06 0.00 -1.02 0.00 0.00 39.78 37.91 2jkn n ASN 90 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2jkn s SER 91 N -0.98 7.06 -0.20 6.41 1.04 -1.26 -5.03 113.70 120.74 2jkn s SER 91 Ca 0.49 1.80 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 2jkn s SER 91 Cb 0.41 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2jkn s SER 91 CO 0.10 -0.27 0.41 0.00 0.98 0.00 0.00 173.24 174.46 2jkn s ALA 92 N -1.88 3.55 0.21 5.32 0.00 -1.26 -4.86 121.76 122.84 2jkn s ALA 92 Ca 0.57 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.09 2jkn s ALA 92 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 2jkn s ALA 92 CO 0.19 -0.30 -0.11 -1.58 0.00 0.00 0.00 175.76 173.96 2jkn s TRP 93 N 1.31 1.66 0.03 0.00 0.52 -1.26 -1.33 118.94 119.87 2jkn s TRP 93 Ca 0.20 -0.66 0.07 0.00 0.02 0.00 0.00 56.10 55.72 2jkn s TRP 93 Cb -0.15 -0.84 -0.02 0.00 -1.15 0.00 0.00 33.47 31.31 2jkn s TRP 93 CO 0.08 0.26 -0.20 0.99 0.02 0.00 0.00 176.95 178.10 2jkn s THR 94 N -3.08 1.62 -0.21 2.01 2.01 0.13 -4.88 115.64 113.24 2jkn s THR 94 Ca 0.23 -1.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 2jkn s THR 94 Cb 0.01 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2jkn s THR 94 CO 0.07 0.27 0.10 -0.89 -0.69 0.00 0.00 174.62 173.47 2jkn s THR 95 N -0.71 4.96 -0.30 -0.82 2.01 -1.26 -0.60 115.64 118.93 2jkn s THR 95 Ca 0.07 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 2jkn s THR 95 Cb -0.08 -3.27 0.11 0.00 0.01 0.00 0.00 72.50 69.27 2jkn s THR 95 CO 0.01 0.41 0.18 -0.62 -0.69 0.00 0.00 174.62 173.92 2jkn s ASP 96 N 0.70 2.99 -1.03 3.53 3.68 0.66 -4.98 116.67 122.21 2jkn s ASP 96 Ca 0.05 -1.29 -0.17 0.00 2.13 0.00 0.00 52.55 53.28 2jkn s ASP 96 Cb -0.13 -0.14 0.01 0.00 -1.45 0.00 0.00 42.92 41.21 2jkn s ASP 96 CO 0.02 -0.41 0.71 -3.20 0.13 0.00 0.00 175.17 172.42 2jkn n ASN 97 N 5.09 -5.23 0.00 -0.34 5.15 -1.25 -1.94 115.26 116.74 2jkn n ASN 97 Ca -0.03 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2jkn n ASN 97 Cb 0.42 -2.77 0.00 0.00 -0.53 0.00 0.00 39.78 36.90 2jkn n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkn n GLY 98 N -1.78 1.62 3.61 8.20 0.00 -1.26 -5.00 105.19 110.58 2jkn n GLY 98 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2jkn n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkn s VAL 99 N -2.86 4.17 -0.30 1.61 1.01 -0.82 -0.79 120.40 122.43 2jkn s VAL 99 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2jkn s VAL 99 Cb 0.00 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.67 2jkn s VAL 99 CO 0.00 0.56 -0.03 0.12 0.00 0.00 0.00 175.10 175.75 2jkn s PHE 100 N -0.38 3.42 0.17 5.22 5.36 0.32 -0.25 117.98 131.84 2jkn s PHE 100 Ca 0.07 -2.43 0.10 0.00 -0.96 0.00 0.00 56.93 53.71 2jkn s PHE 100 Cb -0.12 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 2jkn s PHE 100 CO 0.02 -0.89 -0.21 1.52 -1.46 0.00 0.00 175.22 174.20 2jkn s TYR 101 N 1.08 2.01 0.19 10.12 1.13 0.23 -0.94 117.35 131.17 2jkn s TYR 101 Ca -0.02 -0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 54.93 2jkn s TYR 101 Cb -0.20 -1.02 -0.08 0.00 -1.10 0.00 0.00 41.96 39.57 2jkn s TYR 101 CO -0.05 0.38 0.90 0.21 -2.51 0.00 0.00 175.55 174.48 2jkn s LYS 102 N -2.61 4.75 0.43 -3.49 2.20 -0.01 0.18 119.74 121.18 2jkn s LYS 102 Ca 0.16 1.38 0.20 0.00 -0.36 0.00 0.00 55.97 57.36 2jkn s LYS 102 Cb -0.07 -3.29 0.98 0.00 -1.51 0.00 0.00 37.83 33.93 2jkn s LYS 102 CO 0.08 0.48 1.89 -0.91 -0.36 0.00 0.00 175.35 176.52 2jkn h ASN 103 N 4.48 0.00 -4.08 1.43 2.35 -1.54 -3.43 115.58 114.78 2jkn h ASN 103 Ca -0.45 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.61 2jkn h ASN 103 Cb 1.20 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.34 2jkn h ASN 103 CO 0.68 0.27 -0.84 -1.81 -1.65 0.00 0.00 177.43 174.08 2jkn s ASP 104 N -6.52 3.50 0.89 5.81 1.01 -1.26 -5.05 116.67 115.04 2jkn s ASP 104 Ca -0.02 -0.54 -0.11 0.00 0.71 0.00 0.00 52.55 52.59 2jkn s ASP 104 Cb 0.13 -0.43 0.13 0.00 1.01 0.00 0.00 42.92 43.75 2jkn s ASP 104 CO 0.66 0.24 1.10 0.68 0.21 0.00 0.00 175.17 178.07 2jkn s VAL 105 N -0.91 2.61 0.00 -1.27 -7.23 -1.26 -4.59 120.40 107.75 2jkn s VAL 105 Ca 0.14 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2jkn s VAL 105 Cb -0.10 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2jkn s VAL 105 CO 0.04 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2jkn n GLY 106 N -0.50 4.49 3.00 2.32 0.00 -0.67 -4.93 105.19 108.90 2jkn n GLY 106 Ca 0.09 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2jkn n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkn n SER 107 N 0.00 4.20 -4.77 1.61 7.64 -1.19 -4.44 113.62 116.68 2jkn n SER 107 Ca 0.00 -2.86 -0.38 0.00 1.01 0.00 0.00 58.87 56.64 2jkn n SER 107 Cb 0.00 -1.69 -0.00 0.00 -1.01 0.00 0.00 64.21 61.51 2jkn n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkn s TRP 108 N 3.54 2.81 -0.00 1.43 -0.00 -1.26 -4.66 118.94 120.79 2jkn s TRP 108 Ca 0.49 1.50 0.03 0.00 -0.00 0.00 0.00 56.10 58.13 2jkn s TRP 108 Cb 0.11 -3.47 -0.01 0.00 -0.00 0.00 0.00 33.47 30.09 2jkn s TRP 108 CO -0.04 -1.75 -0.11 0.20 -0.00 0.00 0.00 176.95 175.26 2jkn s GLY 109 N -1.20 0.55 0.00 5.86 0.00 -1.26 -1.51 107.32 109.76 2jkn s GLY 109 Ca 0.63 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2jkn s GLY 109 CO 0.39 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.67 2jkn n GLY 110 N 2.71 -1.33 3.42 0.20 0.00 -0.27 -5.01 105.19 104.92 2jkn n GLY 110 Ca -0.14 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2jkn n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkn s ILE 111 N -2.67 3.13 -0.26 -0.61 -1.09 -1.26 -0.70 121.20 117.75 2jkn s ILE 111 Ca 0.00 -0.66 -0.08 0.00 -2.23 0.00 0.00 60.65 57.68 2jkn s ILE 111 Cb 0.00 -2.28 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 2jkn s ILE 111 CO 0.00 0.55 0.08 -0.63 -1.23 0.00 0.00 174.94 173.71 2jkn s ILE 112 N -0.09 4.35 0.10 2.92 -1.09 0.41 -1.03 121.20 126.78 2jkn s ILE 112 Ca -0.02 -0.19 -0.17 0.00 -2.23 0.00 0.00 60.65 58.04 2jkn s ILE 112 Cb -0.14 -3.06 -0.07 0.00 -1.58 0.00 0.00 42.46 37.62 2jkn s ILE 112 CO 0.04 0.31 0.56 -0.83 -1.23 0.00 0.00 174.94 173.79 2jkn s GLY 113 N 1.62 2.58 -0.24 6.18 0.00 0.31 -0.41 107.32 117.36 2jkn s GLY 113 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 2jkn s GLY 113 CO 0.04 0.33 -0.01 -0.42 0.00 0.00 0.00 173.10 173.04 2jkn s ILE 114 N -1.26 3.52 0.07 0.90 -1.09 -0.67 -1.57 121.20 121.11 2jkn s ILE 114 Ca 0.33 -0.54 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 2jkn s ILE 114 Cb -0.17 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 2jkn s ILE 114 CO 0.19 0.34 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.73 2jkn s TYR 115 N 1.48 1.69 0.20 3.97 2.02 -0.71 0.20 117.35 126.20 2jkn s TYR 115 Ca 0.05 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.04 2jkn s TYR 115 Cb -0.15 -0.96 -0.10 0.00 -0.40 0.00 0.00 41.96 40.35 2jkn s TYR 115 CO -0.02 0.14 1.57 0.08 -1.57 0.00 0.00 175.55 175.75 2jkn s VAL 116 N -1.02 2.49 -0.60 0.71 1.01 0.74 -0.55 120.40 123.17 2jkn s VAL 116 Ca 0.05 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 2jkn s VAL 116 Cb -0.09 -3.24 0.15 0.00 0.00 0.00 0.00 36.38 33.20 2jkn s VAL 116 CO 0.03 0.04 0.48 -0.62 0.00 0.00 0.00 175.10 175.03 2jkn s ASP 117 N 0.94 5.92 0.00 3.32 2.15 0.19 -0.72 116.67 128.47 2jkn s ASP 117 Ca 0.68 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2jkn s ASP 117 Cb -0.45 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2jkn s ASP 117 CO 0.35 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 2jkn n GLY 118 N 4.43 0.08 3.68 2.66 0.00 -1.26 -4.69 105.19 110.09 2jkn n GLY 118 Ca -0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2jkn n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jkn s GLN 119 N -3.63 4.19 -0.30 1.61 -1.52 -1.26 -4.20 119.66 114.53 2jkn s GLN 119 Ca 0.00 2.34 0.18 0.00 -1.95 0.00 0.00 55.36 55.92 2jkn s GLN 119 Cb 0.00 -3.73 0.48 0.00 -0.22 0.00 0.00 33.01 29.54 2jkn s GLN 119 CO 0.00 -0.78 1.06 1.04 -0.25 0.00 0.00 175.29 176.36 2jkn n GLN 120 N 6.08 1.87 0.00 2.91 6.02 -0.63 -4.87 117.38 128.76 2jkn n GLN 120 Ca 0.17 -3.58 0.09 0.00 -0.01 0.00 0.00 57.00 53.66 2jkn n GLN 120 Cb 0.41 -1.60 0.48 0.00 1.02 0.00 0.00 30.24 30.54 2jkn n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkn n THR 121 N -0.40 0.34 -0.09 5.09 -2.24 -1.23 -1.77 114.28 113.98 2jkn n THR 121 Ca 0.15 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 2jkn n THR 121 Cb 0.81 -0.79 0.26 0.00 -2.10 0.00 0.00 70.33 68.51 2jkn n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkn n ASN 122 N -1.20 3.63 -4.67 3.42 3.02 -1.26 -4.32 115.26 113.88 2jkn n ASN 122 Ca 0.10 -1.98 -0.46 0.00 -0.03 0.00 0.00 54.58 52.21 2jkn n ASN 122 Cb 0.12 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 2jkn n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkn n THR 123 N 1.45 0.34 -2.16 3.41 -1.04 -0.73 -4.92 114.28 110.63 2jkn n THR 123 Ca 0.21 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 2jkn n THR 123 Cb 0.59 -1.48 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 2jkn n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkn s PRO 124 N 0.42 4.35 0.43 -2.82 0.02 -1.26 -4.83 135.00 131.31 2jkn s PRO 124 Ca 0.75 2.15 -0.26 0.00 0.02 0.00 0.00 61.00 63.66 2jkn s PRO 124 Cb -0.68 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 30.71 2jkn s PRO 124 CO 0.42 -0.17 1.46 -2.14 -0.33 0.00 0.00 177.00 176.24 2jkn s PRO 125 N -1.81 3.79 0.00 5.54 0.02 -1.26 -4.86 135.00 136.42 2jkn s PRO 125 Ca 0.49 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2jkn s PRO 125 Cb -0.38 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.39 2jkn s PRO 125 CO 0.51 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2jkn n GLY 126 N 0.53 -2.15 3.63 0.52 0.00 -0.36 -4.96 105.19 102.40 2jkn n GLY 126 Ca 0.04 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 2jkn n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkn s ASN 127 N -1.82 5.79 -0.00 1.61 0.01 -1.26 -0.14 114.94 119.13 2jkn s ASN 127 Ca 0.00 0.06 0.08 0.00 -0.71 0.00 0.00 52.86 52.29 2jkn s ASN 127 Cb 0.00 -2.02 -0.02 0.00 0.41 0.00 0.00 41.25 39.61 2jkn s ASN 127 CO 0.00 0.10 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.14 2jkn s TYR 128 N 0.80 2.38 0.01 2.20 2.02 0.78 -1.54 117.35 124.00 2jkn s TYR 128 Ca 0.05 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2jkn s TYR 128 Cb -0.13 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2jkn s TYR 128 CO 0.02 0.05 -0.09 0.99 -1.57 0.00 0.00 175.55 174.95 2jkn s THR 129 N -0.70 0.66 -0.11 -0.71 2.01 -0.43 -0.68 115.64 115.69 2jkn s THR 129 Ca 0.11 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 2jkn s THR 129 Cb -0.10 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.83 2jkn s THR 129 CO 0.00 0.01 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.65 2jkn s LEU 130 N -0.65 1.22 -0.20 4.42 2.96 0.00 -1.19 118.68 125.25 2jkn s LEU 130 Ca -0.00 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2jkn s LEU 130 Cb -0.05 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 2jkn s LEU 130 CO 0.00 -0.11 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.02 2jkn s THR 131 N 1.61 3.75 -0.11 3.68 2.01 -1.26 -0.35 115.64 124.96 2jkn s THR 131 Ca 0.03 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.67 2jkn s THR 131 Cb -0.13 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.70 2jkn s THR 131 CO -0.07 0.43 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.35 2jkn s LEU 132 N 1.08 1.88 -0.12 4.42 1.43 -0.38 -1.59 118.68 125.41 2jkn s LEU 132 Ca 0.02 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2jkn s LEU 132 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2jkn s LEU 132 CO 0.01 0.06 -0.04 -0.89 0.23 0.00 0.00 176.35 175.72 2jkn s THR 133 N 0.81 3.90 0.47 5.49 2.01 -0.19 -0.96 115.64 127.17 2jkn s THR 133 Ca -0.09 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 2jkn s THR 133 Cb -0.16 -2.66 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 2jkn s THR 133 CO 0.00 0.54 1.00 -0.83 -0.69 0.00 0.00 174.62 174.65 2jkn s GLY 134 N -0.20 2.41 0.00 4.40 0.00 -0.56 -0.72 107.32 112.65 2jkn s GLY 134 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2jkn s GLY 134 CO 0.02 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.53 2jkn n GLY 135 N -0.52 -0.68 3.16 0.20 0.00 -0.40 -1.34 105.19 105.60 2jkn n GLY 135 Ca 0.08 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2jkn n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkn s TYR 136 N -3.57 0.16 0.21 1.61 1.13 -0.68 -0.84 117.35 115.37 2jkn s TYR 136 Ca 0.00 -0.47 0.07 0.00 -1.41 0.00 0.00 57.07 55.25 2jkn s TYR 136 Cb 0.00 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 2jkn s TYR 136 CO 0.00 -0.43 0.13 -0.46 -2.51 0.00 0.00 175.55 172.28 2jkn s TRP 137 N -2.93 3.05 0.00 -3.49 -0.00 -0.45 -0.79 118.94 114.34 2jkn s TRP 137 Ca -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 56.10 55.99 2jkn s TRP 137 Cb 0.01 -1.42 0.00 0.00 -0.00 0.00 0.00 33.47 32.06 2jkn s TRP 137 CO -0.06 0.53 0.25 0.00 -0.00 0.00 0.00 176.95 177.67