#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 -0.60 0.07 1.61 1.04 0.22 -4.94 113.70 111.10 2jkn s SER 1 Ca 0.00 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.47 2jkn s SER 1 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 2jkn s SER 1 CO 0.00 -0.79 0.96 0.12 0.98 0.00 0.00 173.24 174.51 2jkn s PHE 2 N -2.50 3.75 -0.28 5.02 2.19 -1.26 -1.64 117.98 123.27 2jkn s PHE 2 Ca -0.05 1.75 -0.04 0.00 0.33 0.00 0.00 56.93 58.92 2jkn s PHE 2 Cb -0.01 -3.07 0.02 0.00 -1.31 0.00 0.00 43.02 38.66 2jkn s PHE 2 CO -0.02 0.13 0.00 0.99 1.83 0.00 0.00 175.22 178.16 2jkn s THR 3 N 0.36 3.31 0.14 0.12 2.01 0.10 -4.98 115.64 116.70 2jkn s THR 3 Ca 0.48 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 2jkn s THR 3 Cb -0.22 -2.73 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 2jkn s THR 3 CO 0.29 0.09 1.65 -2.84 -0.69 0.00 0.00 174.62 173.12 2jkn s PRO 4 N 1.38 4.19 -0.40 4.92 0.02 -1.26 -1.51 135.00 142.34 2jkn s PRO 4 Ca 0.00 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 2jkn s PRO 4 Cb -0.17 -3.30 0.20 0.00 0.02 0.00 0.00 34.50 31.24 2jkn s PRO 4 CO -0.01 -0.69 0.92 0.45 -0.33 0.00 0.00 177.00 177.34 2jkn s SER 5 N 1.64 -0.79 0.00 2.53 0.15 -0.64 -4.92 113.70 111.68 2jkn s SER 5 Ca 0.73 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2jkn s SER 5 Cb -0.44 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2jkn s SER 5 CO 0.32 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2jkn n GLY 6 N 3.20 -0.77 3.99 9.45 0.00 -1.13 -3.64 105.19 116.28 2jkn n GLY 6 Ca 0.12 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 2jkn n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkn s THR 7 N -2.80 2.17 -0.12 2.61 -4.23 -1.26 -4.61 115.64 107.41 2jkn s THR 7 Ca 0.00 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2jkn s THR 7 Cb 0.00 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 2jkn s THR 7 CO 0.00 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.08 2jkn s THR 8 N -2.64 3.31 -0.10 3.99 2.01 -1.26 -1.00 115.64 119.95 2jkn s THR 8 Ca 0.53 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 2jkn s THR 8 Cb -0.05 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2jkn s THR 8 CO 0.33 0.54 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.89 2jkn s GLY 9 N 0.06 1.66 -0.18 4.40 0.00 -0.09 -4.98 107.32 108.20 2jkn s GLY 9 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2jkn s GLY 9 CO 0.04 -0.43 -0.20 -1.59 0.00 0.00 0.00 173.10 170.92 2jkn s THR 10 N -0.28 2.10 -0.27 0.90 2.01 -1.26 -1.11 115.64 117.73 2jkn s THR 10 Ca 0.04 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 2jkn s THR 10 Cb -0.13 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 2jkn s THR 10 CO 0.03 0.54 0.18 -0.89 -0.69 0.00 0.00 174.62 173.78 2jkn s THR 11 N 1.22 5.31 0.05 -0.82 2.01 0.84 -4.96 115.64 119.29 2jkn s THR 11 Ca 0.03 0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.29 2jkn s THR 11 Cb -0.13 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2jkn s THR 11 CO -0.11 0.27 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.30 2jkn s LYS 12 N 1.59 1.81 -0.13 4.92 1.02 -1.26 -0.51 119.74 127.18 2jkn s LYS 12 Ca 0.07 -1.11 -0.06 0.00 0.02 0.00 0.00 55.97 54.89 2jkn s LYS 12 Cb -0.15 -1.99 0.06 0.00 -0.52 0.00 0.00 37.83 35.22 2jkn s LYS 12 CO 0.09 0.51 0.31 -1.17 -0.92 0.00 0.00 175.35 174.17 2jkn s LEU 13 N -1.27 0.09 -0.24 3.17 2.96 -0.05 -4.63 118.68 118.70 2jkn s LEU 13 Ca 0.12 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 54.59 2jkn s LEU 13 Cb -0.10 0.94 -0.05 0.00 0.50 0.00 0.00 46.19 47.48 2jkn s LEU 13 CO 0.02 -0.19 0.19 -0.89 -1.32 0.00 0.00 176.35 174.17 2jkn s THR 14 N 1.57 5.33 -0.13 3.68 2.01 -0.30 -0.24 115.64 127.56 2jkn s THR 14 Ca -0.07 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2jkn s THR 14 Cb -0.10 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2jkn s THR 14 CO -0.10 0.31 0.20 -0.69 -0.69 0.00 0.00 174.62 173.65 2jkn s VAL 15 N 1.23 5.38 0.38 3.82 1.01 0.39 -0.94 120.40 131.68 2jkn s VAL 15 Ca 0.09 0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2jkn s VAL 15 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2jkn s VAL 15 CO 0.06 0.52 0.16 0.42 0.00 0.00 0.00 175.10 176.26 2jkn s THR 16 N -0.39 0.47 0.59 3.92 -4.23 -0.17 -1.29 115.64 114.55 2jkn s THR 16 Ca 0.14 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2jkn s THR 16 Cb -0.12 -2.40 0.12 0.00 1.34 0.00 0.00 72.50 71.44 2jkn s THR 16 CO 0.04 0.00 0.80 -0.62 -0.54 0.00 0.00 174.62 174.30 2jkn n GLU 17 N -0.82 -0.23 -0.23 3.99 -0.58 -1.26 -1.28 120.64 120.23 2jkn n GLU 17 Ca -0.03 -1.84 -0.03 0.00 -0.42 0.00 0.00 57.16 54.84 2jkn n GLU 17 Cb 0.65 -0.64 0.08 0.00 -0.57 0.00 0.00 31.44 30.95 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 0.74 -6.61 3.49 3.11 -1.97 -3.34 116.57 111.98 2jkn h LYS 18 Ca -0.26 -0.04 -0.56 0.00 -2.81 0.00 0.00 60.65 56.97 2jkn h LYS 18 Cb 0.89 -0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.88 2jkn h LYS 18 CO 0.25 0.49 0.94 0.00 -2.81 0.00 0.00 179.45 178.31 2jkn s GLN 20 N 4.68 2.78 -0.36 0.00 0.74 -1.25 -5.05 119.66 121.19 2jkn s GLN 20 Ca 0.45 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 55.10 2jkn s GLN 20 Cb -0.07 -2.27 0.10 0.00 1.10 0.00 0.00 33.01 31.87 2jkn s GLN 20 CO 0.28 -0.03 0.10 0.08 -0.55 0.00 0.00 175.29 175.18 2jkn s VAL 21 N 0.86 2.76 -0.24 1.34 1.01 -1.26 -5.07 120.40 119.79 2jkn s VAL 21 Ca -0.07 -2.09 -0.27 0.00 0.00 0.00 0.00 61.98 59.54 2jkn s VAL 21 Cb -0.15 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2jkn s VAL 21 CO -0.02 -0.56 0.97 -0.13 0.00 0.00 0.00 175.10 175.37 2jkn s ARG 22 N 1.05 4.21 -0.18 2.72 0.52 -1.26 -5.03 118.95 120.97 2jkn s ARG 22 Ca 0.07 1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 56.45 2jkn s ARG 22 Cb -0.21 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 2jkn s ARG 22 CO -0.06 -0.62 -0.10 0.08 0.02 0.00 0.00 175.30 174.62 2jkn s VAL 23 N 3.12 3.03 0.00 3.52 1.01 -1.26 -5.03 120.40 124.78 2jkn s VAL 23 Ca 0.41 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2jkn s VAL 23 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2jkn s VAL 23 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2jkn n GLY 24 N 4.34 -1.63 3.67 4.51 0.00 -1.26 -4.93 105.19 109.89 2jkn n GLY 24 Ca -0.19 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 2jkn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkn n ASP 25 N 0.16 1.22 -4.71 1.61 10.43 -1.26 -4.90 116.55 119.10 2jkn n ASP 25 Ca 0.00 0.75 -0.43 0.00 2.57 0.00 0.00 54.79 57.68 2jkn n ASP 25 Cb 0.00 -1.47 -0.02 0.00 1.84 0.00 0.00 41.12 41.46 2jkn n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2jkn n LEU 26 N -1.72 3.74 -4.26 0.64 7.94 -1.26 -5.00 117.00 117.07 2jkn n LEU 26 Ca 0.14 1.13 -0.16 0.00 -1.11 0.00 0.00 56.01 56.02 2jkn n LEU 26 Cb 0.49 -1.51 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 2jkn n LEU 26 CO 0.48 -0.12 -0.19 0.42 -1.11 0.00 0.00 177.39 176.86 2jkn s THR 27 N 0.18 0.09 -0.27 1.96 -4.23 -1.26 -5.12 115.64 106.99 2jkn s THR 27 Ca 0.68 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.91 2jkn s THR 27 Cb -0.57 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 70.77 2jkn s THR 27 CO 0.46 0.00 0.99 -0.69 -0.54 0.00 0.00 174.62 174.84 2jkn s VAL 28 N -3.81 4.66 0.01 2.29 1.01 -1.26 -5.01 120.40 118.29 2jkn s VAL 28 Ca 0.39 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2jkn s VAL 28 Cb 0.05 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2jkn s VAL 28 CO 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 175.10 174.99 2jkn s ALA 29 N 3.27 0.11 0.02 5.51 0.00 -1.26 -1.15 121.76 128.26 2jkn s ALA 29 Ca 0.42 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2jkn s ALA 29 Cb -0.14 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2jkn s ALA 29 CO 0.10 -0.07 -0.00 0.15 0.00 0.00 0.00 175.76 175.94 2jkn s LYS 30 N -0.79 0.39 0.62 0.00 1.02 -0.11 -4.94 119.74 115.92 2jkn s LYS 30 Ca -0.08 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 2jkn s LYS 30 Cb -0.05 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 2jkn s LYS 30 CO -0.00 -0.07 1.03 0.95 -0.92 0.00 0.00 175.35 176.33 2jkn s THR 31 N -1.85 4.55 0.39 2.17 -4.23 -1.26 -1.00 115.64 114.40 2jkn s THR 31 Ca -0.12 0.89 0.24 0.00 -1.18 0.00 0.00 61.69 61.52 2jkn s THR 31 Cb -0.07 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.27 2jkn s THR 31 CO -0.02 -1.03 2.02 0.08 -0.54 0.00 0.00 174.62 175.13 2jkn h ARG 32 N -0.21 0.00 0.00 3.99 0.11 -1.48 -0.69 114.38 116.09 2jkn h ARG 32 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 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 0.61 0.16 -0.02 0.78 0.10 0.00 0.00 179.97 181.60 2jkn h GLY 33 N 0.97 0.00 0.05 0.08 0.00 -1.85 -1.85 103.07 100.47 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 0.02 0.00 -0.15 -1.06 0.00 0.00 0.00 176.54 175.35 2jkn n GLN 34 N -3.33 1.12 -1.74 4.80 6.02 -0.27 -4.48 117.38 119.51 2jkn n GLN 34 Ca -0.02 -0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 55.93 2jkn n GLN 34 Cb 0.14 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.39 8.04 -4.94 1.08 4.77 -0.70 -4.87 117.00 120.00 2jkn n LEU 35 Ca 0.15 -4.58 -0.24 0.00 -0.03 0.00 0.00 56.01 51.31 2jkn n LEU 35 Cb 0.34 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 2jkn n LEU 35 CO 0.22 1.88 0.21 0.42 -1.33 0.00 0.00 177.39 178.80 2jkn s THR 36 N 0.80 5.05 0.25 -5.08 -4.23 -1.26 -1.92 115.64 109.25 2jkn s THR 36 Ca 0.58 -0.38 -0.31 0.00 -1.18 0.00 0.00 61.69 60.40 2jkn s THR 36 Cb 0.17 -3.85 -0.13 0.00 1.34 0.00 0.00 72.50 70.02 2jkn s THR 36 CO -0.07 -0.59 1.45 -0.67 -0.54 0.00 0.00 174.62 174.20 2jkn n ASP 37 N -1.86 2.99 0.00 3.99 2.03 -1.26 -1.66 116.55 120.79 2jkn n ASP 37 Ca -0.04 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2jkn n ASP 37 Cb 0.56 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.97 0.00 -1.92 -1.67 0.00 0.68 -4.95 120.51 114.63 2jkn n ALA 38 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2jkn n ALA 38 Cb 0.33 -0.45 -0.03 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 -2.38 3.73 0.17 0.00 0.00 -0.66 -4.61 121.76 118.00 2jkn s ALA 39 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 2jkn s ALA 39 Cb 0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2jkn s ALA 39 CO 0.00 -0.97 1.32 -1.25 0.00 0.00 0.00 175.76 174.87 2jkn s PRO 40 N 1.98 4.37 -0.22 0.00 0.04 -1.26 -0.71 135.00 139.21 2jkn s PRO 40 Ca 0.73 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.77 2jkn s PRO 40 Cb -0.42 -3.22 -0.19 0.00 0.04 0.00 0.00 34.50 30.71 2jkn s PRO 40 CO 0.32 -0.30 -0.06 -0.89 0.04 0.00 0.00 177.00 176.10 2jkn n ILE 41 N 3.09 1.58 0.00 0.56 5.41 0.85 -4.92 119.36 125.93 2jkn n ILE 41 Ca 0.08 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2jkn n ILE 41 Cb 0.43 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 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 2.05 2.07 3.85 7.39 0.00 -1.16 -5.02 105.19 114.37 2jkn n GLY 42 Ca -0.42 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 3.95 -0.21 1.61 0.04 -1.26 -1.73 135.00 135.40 2jkn s PRO 43 Ca 0.00 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2jkn s PRO 43 Cb 0.00 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.12 2jkn s PRO 43 CO 0.00 0.17 -0.11 0.08 0.04 0.00 0.00 177.00 177.18 2jkn s VAL 44 N -1.98 1.75 0.31 -0.36 1.01 0.32 -4.97 120.40 116.48 2jkn s VAL 44 Ca 0.53 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 2jkn s VAL 44 Cb -0.10 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 2jkn s VAL 44 CO 0.19 0.16 1.01 0.42 0.00 0.00 0.00 175.10 176.88 2jkn s THR 45 N 1.34 3.87 -0.05 3.92 -4.23 -1.26 -0.31 115.64 118.92 2jkn s THR 45 Ca -0.02 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2jkn s THR 45 Cb -0.17 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.72 2jkn s THR 45 CO -0.08 0.24 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.51 2jkn s VAL 46 N -1.41 0.55 -0.23 2.29 1.01 -0.13 -4.93 120.40 117.54 2jkn s VAL 46 Ca 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 2jkn s VAL 46 Cb -0.25 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2jkn s VAL 46 CO 0.31 0.24 0.06 -1.10 0.00 0.00 0.00 175.10 174.61 2jkn s GLN 47 N 1.19 0.65 0.08 2.72 -1.52 -1.26 -1.01 119.66 120.50 2jkn s GLN 47 Ca -0.07 -0.62 -0.08 0.00 -1.95 0.00 0.00 55.36 52.64 2jkn s GLN 47 Cb -0.14 -2.01 -0.06 0.00 -0.22 0.00 0.00 33.01 30.59 2jkn s GLN 47 CO -0.01 -0.77 0.38 0.00 -0.25 0.00 0.00 175.29 174.64 2jkn s ALA 48 N 1.81 3.75 -0.01 6.09 0.00 -0.45 -5.02 121.76 127.93 2jkn s ALA 48 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 2jkn s ALA 48 Cb -0.17 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.74 2jkn s ALA 48 CO -0.15 0.60 0.02 -0.51 0.00 0.00 0.00 175.76 175.72 2jkn s LEU 49 N -2.06 1.75 -0.67 0.00 1.02 -1.26 -4.59 118.68 112.87 2jkn s LEU 49 Ca 0.34 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.52 2jkn s LEU 49 Cb -0.13 0.02 0.00 0.00 0.02 0.00 0.00 46.19 46.10 2jkn s LEU 49 CO 0.19 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.14 2jkn n GLY 50 N 3.32 0.78 1.33 -3.19 0.00 -1.26 -4.94 105.19 101.23 2jkn n GLY 50 Ca -0.16 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 1.18 0.00 -0.14 0.00 3.45 -1.92 -2.05 116.42 116.94 2jkn h ASP 52 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 2jkn h ASP 52 Cb 1.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.62 2jkn h ASP 52 CO 0.49 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 2jkn n ALA 53 N -2.60 2.62 -2.45 3.45 0.00 -1.26 -3.64 120.51 116.63 2jkn n ALA 53 Ca 0.09 -2.41 -0.13 0.00 0.00 0.00 0.00 53.44 50.98 2jkn n ALA 53 Cb 0.57 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.79 0.80 -0.36 0.00 1.81 -0.84 -4.93 118.95 112.65 2jkn s ARG 54 Ca 0.36 -1.16 -0.21 0.00 -1.72 0.00 0.00 55.73 53.00 2jkn s ARG 54 Cb 0.30 -0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 2jkn s ARG 54 CO 0.06 0.05 0.69 -0.65 -0.68 0.00 0.00 175.30 174.77 2jkn s GLN 55 N -2.92 3.70 0.42 3.54 -0.21 -1.26 -1.63 119.66 121.31 2jkn s GLN 55 Ca 0.05 0.14 -0.25 0.00 0.02 0.00 0.00 55.36 55.32 2jkn s GLN 55 Cb -0.02 -3.81 -0.10 0.00 1.00 0.00 0.00 33.01 30.09 2jkn s GLN 55 CO -0.01 -0.77 1.22 0.28 -2.12 0.00 0.00 175.29 173.89 2jkn n VAL 56 N 5.65 2.56 -3.83 1.09 0.31 -1.26 -1.06 118.33 121.79 2jkn n VAL 56 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2jkn n VAL 56 Cb 0.48 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 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 -1.21 -0.42 -0.06 3.52 0.00 -0.01 -1.11 121.76 122.47 2jkn s ALA 57 Ca 0.62 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.36 2jkn s ALA 57 Cb -0.52 0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2jkn s ALA 57 CO 0.58 -0.38 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 2jkn s LEU 58 N -2.14 1.79 -0.15 0.00 2.01 -0.03 -0.76 118.68 119.40 2jkn s LEU 58 Ca -0.04 -0.35 -0.01 0.00 0.01 0.00 0.00 54.13 53.73 2jkn s LEU 58 Cb -0.01 -0.95 -0.02 0.00 0.01 0.00 0.00 46.19 45.23 2jkn s LEU 58 CO -0.04 0.08 -0.10 -0.75 1.01 0.00 0.00 176.35 176.55 2jkn s LYS 59 N 0.44 3.43 0.39 1.70 2.20 -0.31 -0.35 119.74 127.24 2jkn s LYS 59 Ca -0.12 -0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 54.61 2jkn s LYS 59 Cb -0.15 -2.75 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 2jkn s LYS 59 CO 0.04 0.14 0.98 0.00 -0.36 0.00 0.00 175.35 176.15 2jkn s ALA 60 N 0.57 3.10 0.66 3.13 0.00 -0.11 -0.91 121.76 128.20 2jkn s ALA 60 Ca -0.06 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2jkn s ALA 60 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2jkn s ALA 60 CO 0.03 0.02 1.08 -0.25 0.00 0.00 0.00 175.76 176.65 2jkn n ASP 61 N -0.10 1.12 -0.34 0.00 9.92 -0.68 -4.86 116.55 121.61 2jkn n ASP 61 Ca 0.05 0.76 0.18 0.00 -0.53 0.00 0.00 54.79 55.25 2jkn n ASP 61 Cb 0.51 -1.46 0.39 0.00 -0.64 0.00 0.00 41.12 39.93 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 0.20 0.53 0.00 -3.53 2.02 -1.93 0.67 112.91 110.86 2jkn h THR 62 Ca -0.49 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jkn h THR 62 Cb 1.35 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2jkn h THR 62 CO 0.50 0.10 0.00 0.47 0.37 0.00 0.00 175.52 176.96 2jkn n ASP 63 N -4.89 0.00 -0.53 4.18 8.00 -1.26 -3.45 116.55 118.60 2jkn n ASP 63 Ca 0.27 -0.91 0.05 0.00 0.71 0.00 0.00 54.79 54.91 2jkn n ASP 63 Cb 0.76 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.96 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 -0.95 2.49 -3.75 -2.24 5.03 0.23 -4.73 115.26 111.34 2jkn n ASN 64 Ca 0.18 -1.79 -0.10 0.00 0.87 0.00 0.00 54.58 53.74 2jkn n ASN 64 Cb 0.08 -0.13 -0.06 0.00 -1.02 0.00 0.00 39.78 38.64 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 -0.95 -0.07 -0.26 3.10 -0.12 -1.22 -1.07 117.98 117.39 2jkn s PHE 65 Ca 0.18 -0.20 -0.31 0.00 -0.05 0.00 0.00 56.93 56.55 2jkn s PHE 65 Cb 0.10 0.10 0.17 0.00 -0.63 0.00 0.00 43.02 42.77 2jkn s PHE 65 CO 0.14 -0.57 1.30 -1.21 -0.05 0.00 0.00 175.22 174.83 2jkn s GLU 66 N -3.25 0.16 -1.57 1.99 2.02 -0.72 -4.97 118.70 112.35 2jkn s GLU 66 Ca -0.00 0.01 -0.08 0.00 0.02 0.00 0.00 54.97 54.92 2jkn s GLU 66 Cb 0.01 0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.39 2jkn s GLU 66 CO -0.08 -0.05 0.50 0.94 0.02 0.00 0.00 175.26 176.59 2jkn n GLN 67 N 0.42 -2.75 -1.60 1.61 7.27 -1.26 -0.09 117.38 120.98 2jkn n GLN 67 Ca -0.01 0.33 -0.19 0.00 0.07 0.00 0.00 57.00 57.20 2jkn n GLN 67 Cb 0.58 -4.61 -0.08 0.00 2.41 0.00 0.00 30.24 28.54 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jkn n GLY 68 N -1.81 1.78 3.33 1.69 0.00 -1.26 -4.97 105.19 103.95 2jkn n GLY 68 Ca -0.14 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.70 1.50 0.14 1.61 1.02 0.88 -5.03 119.74 116.15 2jkn s LYS 69 Ca 0.00 -1.16 0.07 0.00 0.02 0.00 0.00 55.97 54.90 2jkn s LYS 69 Cb 0.00 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 2jkn s LYS 69 CO 0.00 0.44 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.78 2jkn s PHE 70 N -0.93 2.82 -0.14 3.18 0.40 -1.26 -1.75 117.98 120.30 2jkn s PHE 70 Ca 0.11 -0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 56.02 2jkn s PHE 70 Cb -0.10 -1.41 0.08 0.00 0.51 0.00 0.00 43.02 42.10 2jkn s PHE 70 CO 0.03 0.49 0.73 -0.59 0.70 0.00 0.00 175.22 176.59 2jkn s PHE 71 N -1.52 -0.67 0.59 0.36 -0.12 -0.23 -1.75 117.98 114.64 2jkn s PHE 71 Ca 0.25 1.35 -0.16 0.00 -0.05 0.00 0.00 56.93 58.32 2jkn s PHE 71 Cb -0.10 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 2jkn s PHE 71 CO 0.17 -0.50 1.06 -0.51 -0.05 0.00 0.00 175.22 175.39 2jkn s LEU 72 N -0.62 3.50 0.01 -1.99 1.02 0.44 -4.54 118.68 116.51 2jkn s LEU 72 Ca -0.06 1.82 0.05 0.00 0.02 0.00 0.00 54.13 55.97 2jkn s LEU 72 Cb -0.02 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 2jkn s LEU 72 CO 0.06 -1.18 -0.16 -0.51 0.02 0.00 0.00 176.35 174.58 2jkn s ILE 73 N -2.44 1.31 0.84 -0.59 1.10 -0.47 -1.12 121.20 119.83 2jkn s ILE 73 Ca 0.64 -0.88 -0.11 0.00 -0.51 0.00 0.00 60.65 59.79 2jkn s ILE 73 Cb -0.16 -1.12 0.10 0.00 0.15 0.00 0.00 42.46 41.42 2jkn s ILE 73 CO 0.37 0.23 1.09 -0.94 -2.11 0.00 0.00 174.94 173.58 2jkn s SER 74 N -0.75 3.88 0.46 4.50 1.04 -0.12 -1.32 113.70 121.38 2jkn s SER 74 Ca 0.05 1.68 0.17 0.00 0.48 0.00 0.00 55.95 58.33 2jkn s SER 74 Cb -0.07 -2.35 1.14 0.00 0.10 0.00 0.00 66.02 64.84 2jkn s SER 74 CO 0.00 -2.41 1.97 0.44 0.98 0.00 0.00 173.24 174.23 2jkn h ASP 75 N -1.39 0.26 -0.02 7.02 3.32 -1.59 -0.52 116.42 123.50 2jkn h ASP 75 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2jkn h ASP 75 Cb 1.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2jkn h ASP 75 CO 0.52 0.15 0.00 -0.46 -1.72 0.00 0.00 179.24 177.73 2jkn n ASN 76 N -4.45 0.94 0.00 6.45 0.23 -1.26 -4.90 115.26 112.27 2jkn n ASN 76 Ca 0.11 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 2jkn n ASN 76 Cb 0.47 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2jkn n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jkn n ASN 77 N -0.25 -2.08 -0.05 0.53 5.15 -0.20 -4.88 115.26 113.47 2jkn n ASN 77 Ca 0.20 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.96 2jkn n ASN 77 Cb 0.26 -1.00 -0.13 0.00 -0.53 0.00 0.00 39.78 38.38 2jkn n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jkn n ARG 78 N -1.97 0.67 -4.06 1.20 0.63 -1.26 -4.87 116.66 107.00 2jkn n ARG 78 Ca 0.00 0.36 -0.35 0.00 -0.92 0.00 0.00 57.85 56.95 2jkn n ARG 78 Cb 0.07 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.19 2jkn n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkn s ASP 79 N -6.97 5.62 -0.02 6.15 1.01 -1.26 -4.96 116.67 116.24 2jkn s ASP 79 Ca -0.27 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.10 2jkn s ASP 79 Cb 0.07 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 2jkn s ASP 79 CO 0.68 0.23 0.09 -0.54 0.21 0.00 0.00 175.17 175.84 2jkn s LYS 80 N 0.03 3.14 -0.32 8.23 1.02 -1.26 -0.95 119.74 129.63 2jkn s LYS 80 Ca 0.05 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2jkn s LYS 80 Cb -0.12 -2.91 0.10 0.00 -0.52 0.00 0.00 37.83 34.37 2jkn s LYS 80 CO 0.01 0.67 0.07 -1.17 -0.92 0.00 0.00 175.35 174.00 2jkn s LEU 81 N -1.61 3.30 0.33 3.17 2.96 -0.27 -4.97 118.68 121.60 2jkn s LEU 81 Ca 0.22 -1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 2jkn s LEU 81 Cb -0.12 -1.20 -0.10 0.00 0.50 0.00 0.00 46.19 45.26 2jkn s LEU 81 CO 0.12 -0.39 1.32 -0.31 -1.32 0.00 0.00 176.35 175.78 2jkn s TYR 82 N 1.31 3.02 0.12 5.38 1.51 -1.26 -0.42 117.35 127.00 2jkn s TYR 82 Ca 0.09 1.38 0.01 0.00 -1.01 0.00 0.00 57.07 57.54 2jkn s TYR 82 Cb -0.18 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 37.92 2jkn s TYR 82 CO -0.17 -1.96 -0.04 0.14 -1.11 0.00 0.00 175.55 172.41 2jkn s VAL 83 N -1.07 0.60 -0.05 0.71 -7.23 -0.72 -1.33 120.40 111.30 2jkn s VAL 83 Ca 0.50 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2jkn s VAL 83 Cb -0.40 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 2jkn s VAL 83 CO 0.53 -0.75 0.01 0.20 -0.31 0.00 0.00 175.10 174.78 2jkn s ASN 84 N -3.07 5.28 -0.19 4.85 0.01 0.91 -4.39 114.94 118.34 2jkn s ASN 84 Ca 0.15 0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 2jkn s ASN 84 Cb 0.06 -1.47 -0.00 0.00 0.41 0.00 0.00 41.25 40.25 2jkn s ASN 84 CO -0.03 0.34 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.17 2jkn s ILE 85 N -0.98 2.91 -0.11 0.60 1.01 -1.26 -1.51 121.20 121.86 2jkn s ILE 85 Ca 0.16 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 2jkn s ILE 85 Cb -0.11 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.11 2jkn s ILE 85 CO 0.06 0.47 0.26 -0.60 0.00 0.00 0.00 174.94 175.13 2jkn s ARG 86 N 1.26 0.23 0.36 2.79 3.52 -0.68 -4.97 118.95 121.47 2jkn s ARG 86 Ca 0.03 0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 55.87 2jkn s ARG 86 Cb -0.14 -0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 2jkn s ARG 86 CO -0.05 -0.14 1.19 -1.25 -0.81 0.00 0.00 175.30 174.25 2jkn s PRO 87 N 1.03 4.22 0.52 5.12 0.04 -1.26 0.16 135.00 144.82 2jkn s PRO 87 Ca -0.07 1.93 0.29 0.00 0.04 0.00 0.00 61.00 63.19 2jkn s PRO 87 Cb -0.08 -2.85 1.39 0.00 0.04 0.00 0.00 34.50 33.00 2jkn s PRO 87 CO -0.07 -0.21 2.02 1.79 0.04 0.00 0.00 177.00 180.58 2jkn h THR 88 N 2.62 0.43 -0.20 1.26 1.35 -1.47 -2.73 112.91 114.16 2jkn h THR 88 Ca -0.48 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2jkn h THR 88 Cb 1.23 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2jkn h THR 88 CO 0.64 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.12 2jkn n ASP 89 N -3.44 1.83 -1.57 5.36 3.85 -1.26 -4.93 116.55 116.38 2jkn n ASP 89 Ca -0.01 -1.76 -0.16 0.00 -0.71 0.00 0.00 54.79 52.15 2jkn n ASP 89 Cb 0.28 -0.13 -0.06 0.00 -1.35 0.00 0.00 41.12 39.86 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 0.44 -4.28 -4.49 -1.12 5.03 -1.03 -4.96 115.26 104.84 2jkn n ASN 90 Ca 0.16 0.36 -0.30 0.00 0.87 0.00 0.00 54.58 55.67 2jkn n ASN 90 Cb 0.35 -3.86 0.22 0.00 -1.02 0.00 0.00 39.78 35.47 2jkn n ASN 90 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2jkn n SER 91 N -0.94 -1.33 -4.67 6.41 3.41 -1.26 -4.95 113.62 110.28 2jkn n SER 91 Ca -0.16 0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.07 2jkn n SER 91 Cb 0.54 -1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 2jkn n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jkn s ALA 92 N -2.44 3.53 0.20 7.33 0.00 -1.26 -4.86 121.76 124.25 2jkn s ALA 92 Ca 0.66 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.33 2jkn s ALA 92 Cb -0.23 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2jkn s ALA 92 CO 0.64 -0.37 -0.06 -1.58 0.00 0.00 0.00 175.76 174.39 2jkn s TRP 93 N 1.46 1.48 0.04 0.00 0.52 -1.26 -0.89 118.94 120.29 2jkn s TRP 93 Ca 0.25 -0.81 0.06 0.00 0.02 0.00 0.00 56.10 55.62 2jkn s TRP 93 Cb -0.15 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.34 2jkn s TRP 93 CO 0.10 0.07 -0.16 0.99 0.02 0.00 0.00 176.95 177.97 2jkn s THR 94 N -3.32 1.27 -0.17 2.01 2.01 0.91 -4.86 115.64 113.49 2jkn s THR 94 Ca 0.23 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 2jkn s THR 94 Cb 0.04 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2jkn s THR 94 CO 0.05 0.08 0.01 -0.89 -0.69 0.00 0.00 174.62 173.18 2jkn s THR 95 N -0.81 4.27 -0.28 -0.82 2.01 -1.26 -0.58 115.64 118.17 2jkn s THR 95 Ca 0.03 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2jkn s THR 95 Cb -0.08 -2.90 0.11 0.00 0.01 0.00 0.00 72.50 69.64 2jkn s THR 95 CO 0.01 0.47 0.21 -0.62 -0.69 0.00 0.00 174.62 174.00 2jkn s ASP 96 N 0.44 2.51 -1.17 3.53 3.68 0.66 -4.97 116.67 121.35 2jkn s ASP 96 Ca -0.01 -0.94 -0.27 0.00 2.13 0.00 0.00 52.55 53.46 2jkn s ASP 96 Cb -0.13 0.09 0.01 0.00 -1.45 0.00 0.00 42.92 41.44 2jkn s ASP 96 CO 0.02 -0.41 0.75 -3.20 0.13 0.00 0.00 175.17 172.46 2jkn n ASN 97 N 5.28 -4.85 0.00 -0.34 5.15 -1.26 -1.74 115.26 117.51 2jkn n ASN 97 Ca -0.04 -1.14 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 2jkn n ASN 97 Cb 0.45 -2.64 0.00 0.00 -0.53 0.00 0.00 39.78 37.06 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 -1.86 1.23 3.52 8.20 0.00 -1.26 -5.01 105.19 110.02 2jkn n GLY 98 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.87 3.82 -0.34 1.61 1.01 -0.71 -0.93 120.40 121.99 2jkn s VAL 99 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2jkn s VAL 99 Cb 0.00 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.81 2jkn s VAL 99 CO 0.00 0.53 0.07 0.12 0.00 0.00 0.00 175.10 175.82 2jkn s PHE 100 N 0.02 3.43 0.18 5.22 5.36 0.53 -0.24 117.98 132.48 2jkn s PHE 100 Ca -0.00 -2.21 0.11 0.00 -0.96 0.00 0.00 56.93 53.87 2jkn s PHE 100 Cb -0.13 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 2jkn s PHE 100 CO 0.03 -0.88 -0.24 1.52 -1.46 0.00 0.00 175.22 174.19 2jkn s TYR 101 N 1.17 2.24 0.15 10.12 1.13 0.25 -0.85 117.35 131.55 2jkn s TYR 101 Ca 0.01 -0.37 -0.28 0.00 -1.41 0.00 0.00 57.07 55.02 2jkn s TYR 101 Cb -0.21 -1.12 -0.07 0.00 -1.10 0.00 0.00 41.96 39.46 2jkn s TYR 101 CO -0.03 0.46 0.86 0.21 -2.51 0.00 0.00 175.55 174.54 2jkn s LYS 102 N -2.61 4.66 0.48 -3.49 2.20 -0.26 -0.06 119.74 120.65 2jkn s LYS 102 Ca 0.19 1.30 0.23 0.00 -0.36 0.00 0.00 55.97 57.34 2jkn s LYS 102 Cb -0.08 -3.31 1.21 0.00 -1.51 0.00 0.00 37.83 34.14 2jkn s LYS 102 CO 0.09 0.42 1.99 -0.91 -0.36 0.00 0.00 175.35 176.57 2jkn h ASN 103 N 4.84 0.00 -2.69 1.43 4.21 -1.35 -3.43 115.58 118.59 2jkn h ASN 103 Ca -0.45 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.48 2jkn h ASN 103 Cb 1.21 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.31 2jkn h ASN 103 CO 0.69 0.18 -0.64 -0.62 -1.29 0.00 0.00 177.43 175.76 2jkn s ASP 104 N -6.35 4.86 0.77 5.81 3.68 -1.26 -5.06 116.67 119.12 2jkn s ASP 104 Ca -0.02 -0.40 -0.12 0.00 2.13 0.00 0.00 52.55 54.14 2jkn s ASP 104 Cb 0.13 -1.06 0.05 0.00 -1.45 0.00 0.00 42.92 40.60 2jkn s ASP 104 CO 0.62 0.06 1.11 0.68 0.13 0.00 0.00 175.17 177.77 2jkn s VAL 105 N -1.86 3.08 0.00 1.11 -7.23 -1.26 -4.45 120.40 109.79 2jkn s VAL 105 Ca 0.29 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 2jkn s VAL 105 Cb -0.09 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2jkn s VAL 105 CO 0.20 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 2jkn n GLY 106 N -2.52 4.50 3.04 2.32 0.00 -0.65 -4.92 105.19 106.95 2jkn n GLY 106 Ca 0.07 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 4.74 -4.77 1.61 7.64 -1.21 -4.37 113.62 117.26 2jkn n SER 107 Ca 0.00 -2.98 -0.37 0.00 1.01 0.00 0.00 58.87 56.53 2jkn n SER 107 Cb 0.00 -1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 61.61 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 1.96 2.81 -0.02 1.43 -0.00 -1.26 -4.65 118.94 119.20 2jkn s TRP 108 Ca 0.44 1.52 0.04 0.00 -0.00 0.00 0.00 56.10 58.10 2jkn s TRP 108 Cb 0.08 -3.43 -0.00 0.00 -0.00 0.00 0.00 33.47 30.12 2jkn s TRP 108 CO -0.01 -1.66 -0.13 0.20 -0.00 0.00 0.00 176.95 175.35 2jkn s GLY 109 N -1.30 0.67 0.00 5.86 0.00 -1.26 -1.34 107.32 109.94 2jkn s GLY 109 Ca 0.64 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2jkn s GLY 109 CO 0.36 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2jkn n GLY 110 N 3.05 -1.19 3.32 0.20 0.00 -0.18 -5.01 105.19 105.38 2jkn n GLY 110 Ca -0.17 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.60 2.69 -0.31 -0.61 -1.09 -1.26 -0.96 121.20 117.06 2jkn s ILE 111 Ca 0.00 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.53 2jkn s ILE 111 Cb 0.00 -2.09 -0.00 0.00 -1.58 0.00 0.00 42.46 38.78 2jkn s ILE 111 CO 0.00 0.54 0.13 -0.63 -1.23 0.00 0.00 174.94 173.75 2jkn s ILE 112 N 0.27 4.44 0.13 2.92 -1.09 0.58 -1.06 121.20 127.38 2jkn s ILE 112 Ca -0.12 -0.48 -0.23 0.00 -2.23 0.00 0.00 60.65 57.59 2jkn s ILE 112 Cb -0.16 -3.26 -0.07 0.00 -1.58 0.00 0.00 42.46 37.38 2jkn s ILE 112 CO 0.06 0.08 0.70 -0.83 -1.23 0.00 0.00 174.94 173.72 2jkn s GLY 113 N 1.59 2.82 -0.21 6.18 0.00 0.12 -0.53 107.32 117.29 2jkn s GLY 113 Ca 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 2jkn s GLY 113 CO 0.05 0.72 -0.02 -0.42 0.00 0.00 0.00 173.10 173.43 2jkn s ILE 114 N -1.10 3.62 0.10 0.90 -1.09 -0.71 -1.69 121.20 121.23 2jkn s ILE 114 Ca 0.33 -0.42 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 2jkn s ILE 114 Cb -0.22 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 2jkn s ILE 114 CO 0.23 0.42 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.87 2jkn s TYR 115 N 1.31 1.59 0.12 3.97 2.02 -0.57 -0.10 117.35 125.68 2jkn s TYR 115 Ca 0.04 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 2jkn s TYR 115 Cb -0.14 -0.87 -0.09 0.00 -0.40 0.00 0.00 41.96 40.46 2jkn s TYR 115 CO -0.01 0.16 1.50 0.08 -1.57 0.00 0.00 175.55 175.71 2jkn s VAL 116 N -1.27 3.05 -0.70 0.71 1.01 0.12 -0.06 120.40 123.24 2jkn s VAL 116 Ca 0.04 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 2jkn s VAL 116 Cb -0.10 -3.45 0.18 0.00 0.00 0.00 0.00 36.38 33.02 2jkn s VAL 116 CO 0.04 0.04 0.61 -0.62 0.00 0.00 0.00 175.10 175.17 2jkn s ASP 117 N 1.39 6.24 0.00 3.32 2.15 -0.44 -0.23 116.67 129.09 2jkn s ASP 117 Ca 0.68 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 51.14 2jkn s ASP 117 Cb -0.39 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2jkn s ASP 117 CO 0.31 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2jkn n GLY 118 N 4.14 1.58 3.65 2.66 0.00 -1.26 -4.70 105.19 111.26 2jkn n GLY 118 Ca 0.06 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.27 4.01 -0.31 1.61 -1.52 -1.26 -4.08 119.66 114.84 2jkn s GLN 119 Ca 0.00 2.27 0.17 0.00 -1.95 0.00 0.00 55.36 55.85 2jkn s GLN 119 Cb 0.00 -4.10 0.47 0.00 -0.22 0.00 0.00 33.01 29.16 2jkn s GLN 119 CO 0.00 -1.08 1.06 1.04 -0.25 0.00 0.00 175.29 176.06 2jkn n GLN 120 N 7.54 2.00 0.00 2.91 6.02 -0.81 -4.88 117.38 130.15 2jkn n GLN 120 Ca 0.20 -3.64 0.11 0.00 -0.01 0.00 0.00 57.00 53.66 2jkn n GLN 120 Cb 0.43 -1.65 0.63 0.00 1.02 0.00 0.00 30.24 30.67 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 0.02 -0.42 5.09 -2.24 -1.24 -1.79 114.28 113.30 2jkn n THR 121 Ca 0.17 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 2jkn n THR 121 Cb 0.81 -0.67 0.27 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.02 3.79 -4.71 3.42 3.02 -1.26 -4.40 115.26 114.10 2jkn n ASN 122 Ca 0.16 -2.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.10 2jkn n ASN 122 Cb 0.08 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2jkn n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2jkn s THR 123 N -1.35 2.32 0.35 3.41 2.01 -0.74 -4.93 115.64 116.71 2jkn s THR 123 Ca 0.40 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.29 2jkn s THR 123 Cb 0.23 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.53 2jkn s THR 123 CO 0.23 0.01 1.40 -2.84 -0.69 0.00 0.00 174.62 172.74 2jkn s PRO 124 N 1.47 4.23 0.55 4.92 0.02 -1.26 -4.82 135.00 140.11 2jkn s PRO 124 Ca 0.74 2.40 -0.22 0.00 0.02 0.00 0.00 61.00 63.94 2jkn s PRO 124 Cb -0.47 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 30.98 2jkn s PRO 124 CO 0.32 -0.37 1.37 -2.14 -0.33 0.00 0.00 177.00 175.86 2jkn s PRO 125 N -1.88 3.12 0.00 5.54 0.02 -1.26 -4.86 135.00 135.68 2jkn s PRO 125 Ca 0.51 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.81 2jkn s PRO 125 Cb -0.43 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 31.82 2jkn s PRO 125 CO 0.58 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2jkn n GLY 126 N 0.73 -2.06 3.55 0.52 0.00 -0.41 -4.96 105.19 102.56 2jkn n GLY 126 Ca 0.10 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.80 5.22 0.03 1.61 0.01 -1.26 -0.46 114.94 118.29 2jkn s ASN 127 Ca 0.00 -0.05 0.09 0.00 -0.71 0.00 0.00 52.86 52.19 2jkn s ASN 127 Cb 0.00 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 2jkn s ASN 127 CO 0.00 0.14 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkn s TYR 128 N 0.57 2.36 0.01 2.20 2.02 0.67 -1.39 117.35 123.79 2jkn s TYR 128 Ca 0.01 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2jkn s TYR 128 Cb -0.13 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 2jkn s TYR 128 CO 0.02 0.11 -0.03 0.99 -1.57 0.00 0.00 175.55 175.06 2jkn s THR 129 N -0.77 0.22 -0.11 -0.71 2.01 -0.44 -0.87 115.64 114.97 2jkn s THR 129 Ca 0.12 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 2jkn s THR 129 Cb -0.10 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.19 2jkn s THR 129 CO 0.02 -0.11 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.54 2jkn s LEU 130 N -0.53 1.21 -0.14 4.42 2.96 0.33 -1.37 118.68 125.56 2jkn s LEU 130 Ca -0.04 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2jkn s LEU 130 Cb -0.04 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 2jkn s LEU 130 CO -0.00 -0.11 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.93 2jkn s THR 131 N 1.66 3.31 -0.09 3.68 2.01 -1.26 -0.11 115.64 124.84 2jkn s THR 131 Ca 0.04 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2jkn s THR 131 Cb -0.13 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 69.98 2jkn s THR 131 CO -0.08 0.51 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.48 2jkn s LEU 132 N 0.45 1.58 -0.13 4.42 1.43 -0.27 -1.69 118.68 124.48 2jkn s LEU 132 Ca -0.08 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2jkn s LEU 132 Cb -0.15 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2jkn s LEU 132 CO 0.04 0.00 0.00 -0.89 0.23 0.00 0.00 176.35 175.74 2jkn s THR 133 N 0.94 4.30 0.39 5.49 2.01 -0.09 -0.91 115.64 127.78 2jkn s THR 133 Ca -0.09 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 2jkn s THR 133 Cb -0.15 -2.86 -0.11 0.00 0.01 0.00 0.00 72.50 69.39 2jkn s THR 133 CO 0.00 0.54 0.95 -0.83 -0.69 0.00 0.00 174.62 174.59 2jkn s GLY 134 N -0.27 2.53 0.00 4.40 0.00 -0.17 -1.16 107.32 112.66 2jkn s GLY 134 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2jkn s GLY 134 CO 0.02 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.51 2jkn n GLY 135 N -0.22 1.28 3.15 0.20 0.00 0.07 -1.61 105.19 108.05 2jkn n GLY 135 Ca 0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.19 0.26 -0.21 1.61 1.13 -0.57 -0.83 117.35 117.56 2jkn s TYR 136 Ca 0.00 -0.69 -0.14 0.00 -1.41 0.00 0.00 57.07 54.83 2jkn s TYR 136 Cb 0.00 -0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 2jkn s TYR 136 CO 0.00 -0.45 0.32 -0.46 -2.51 0.00 0.00 175.55 172.45 2jkn s TRP 137 N -3.51 3.37 0.00 -3.49 -0.11 -0.23 -0.72 118.94 114.25 2jkn s TRP 137 Ca 0.03 0.50 0.00 0.00 1.22 0.00 0.00 56.10 57.85 2jkn s TRP 137 Cb 0.04 -2.43 0.00 0.00 -1.50 0.00 0.00 33.47 29.58 2jkn s TRP 137 CO -0.09 0.05 0.00 0.00 -4.62 0.00 0.00 176.95 172.29