#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 -0.54 -0.13 1.61 1.04 -0.53 -4.99 113.70 110.16 2jkn s SER 1 Ca 0.00 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 2jkn s SER 1 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 2jkn s SER 1 CO 0.00 -0.90 0.29 0.12 0.98 0.00 0.00 173.24 173.73 2jkn s PHE 2 N -3.36 3.52 -0.26 5.02 2.19 -1.26 -2.05 117.98 121.77 2jkn s PHE 2 Ca -0.01 0.65 -0.04 0.00 0.33 0.00 0.00 56.93 57.86 2jkn s PHE 2 Cb -0.01 -2.28 0.01 0.00 -1.31 0.00 0.00 43.02 39.44 2jkn s PHE 2 CO -0.09 0.36 -0.01 0.99 1.83 0.00 0.00 175.22 178.30 2jkn s THR 3 N 0.04 3.36 0.14 0.12 2.01 -0.18 -4.98 115.64 116.16 2jkn s THR 3 Ca 0.17 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 2jkn s THR 3 Cb -0.13 -2.69 -0.10 0.00 0.01 0.00 0.00 72.50 69.59 2jkn s THR 3 CO 0.05 0.19 1.59 -2.84 -0.69 0.00 0.00 174.62 172.93 2jkn s PRO 4 N 1.41 4.21 -0.38 4.92 0.02 -1.26 -1.56 135.00 142.37 2jkn s PRO 4 Ca 0.02 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.37 2jkn s PRO 4 Cb -0.16 -3.26 0.20 0.00 0.02 0.00 0.00 34.50 31.29 2jkn s PRO 4 CO -0.02 -0.64 0.94 0.45 -0.33 0.00 0.00 177.00 177.40 2jkn s SER 5 N 1.45 -0.71 0.00 2.53 0.15 -0.28 -4.92 113.70 111.92 2jkn s SER 5 Ca 0.71 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2jkn s SER 5 Cb -0.43 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2jkn s SER 5 CO 0.32 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2jkn n GLY 6 N 3.32 -1.26 3.99 9.45 0.00 -1.10 -3.56 105.19 116.03 2jkn n GLY 6 Ca 0.11 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.78 2.25 -0.11 2.61 -4.23 -1.26 -4.60 115.64 107.51 2jkn s THR 7 Ca 0.00 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2jkn s THR 7 Cb 0.00 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 2jkn s THR 7 CO 0.00 0.00 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.11 2jkn s THR 8 N -2.61 3.51 -0.12 3.99 2.01 -1.26 -1.33 115.64 119.83 2jkn s THR 8 Ca 0.54 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2jkn s THR 8 Cb -0.06 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2jkn s THR 8 CO 0.33 0.54 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.90 2jkn s GLY 9 N -0.08 1.66 -0.19 4.40 0.00 -0.07 -4.97 107.32 108.06 2jkn s GLY 9 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2jkn s GLY 9 CO 0.03 -0.30 -0.17 -1.59 0.00 0.00 0.00 173.10 171.07 2jkn s THR 10 N -0.02 2.27 -0.27 0.90 2.01 -1.26 -1.00 115.64 118.27 2jkn s THR 10 Ca -0.01 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 2jkn s THR 10 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 2jkn s THR 10 CO 0.03 0.48 0.25 -0.89 -0.69 0.00 0.00 174.62 173.80 2jkn s THR 11 N 1.31 5.27 0.01 -0.82 2.01 0.80 -4.96 115.64 119.25 2jkn s THR 11 Ca 0.04 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.42 2jkn s THR 11 Cb -0.14 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2jkn s THR 11 CO -0.11 0.23 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.25 2jkn s LYS 12 N 1.82 2.01 -0.09 4.92 1.02 -1.26 -0.65 119.74 127.51 2jkn s LYS 12 Ca 0.10 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 2jkn s LYS 12 Cb -0.16 -2.04 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 2jkn s LYS 12 CO 0.10 0.54 0.19 -1.17 -0.92 0.00 0.00 175.35 174.10 2jkn s LEU 13 N -0.89 0.24 -0.25 3.17 2.96 0.08 -4.63 118.68 119.36 2jkn s LEU 13 Ca 0.11 0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 54.29 2jkn s LEU 13 Cb -0.10 0.48 -0.04 0.00 0.50 0.00 0.00 46.19 47.03 2jkn s LEU 13 CO 0.01 -0.20 0.32 -0.89 -1.32 0.00 0.00 176.35 174.26 2jkn s THR 14 N 1.73 5.23 -0.14 3.68 2.01 -0.52 -0.45 115.64 127.18 2jkn s THR 14 Ca -0.04 0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.33 2jkn s THR 14 Cb -0.12 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 2jkn s THR 14 CO -0.07 0.22 0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 2jkn s VAL 15 N 1.68 5.37 0.41 3.82 1.01 0.00 -0.94 120.40 131.76 2jkn s VAL 15 Ca 0.13 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.51 2jkn s VAL 15 Cb -0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2jkn s VAL 15 CO 0.09 0.50 0.12 0.42 0.00 0.00 0.00 175.10 176.23 2jkn s THR 16 N -0.21 0.63 0.54 3.92 -4.23 0.10 -1.47 115.64 114.92 2jkn s THR 16 Ca 0.14 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.60 2jkn s THR 16 Cb -0.12 -2.37 0.12 0.00 1.34 0.00 0.00 72.50 71.46 2jkn s THR 16 CO 0.03 0.00 0.73 -0.62 -0.54 0.00 0.00 174.62 174.22 2jkn n GLU 17 N -0.90 -0.28 -0.27 3.99 -0.58 -1.26 -0.72 120.64 120.62 2jkn n GLU 17 Ca -0.06 -1.55 -0.05 0.00 -0.42 0.00 0.00 57.16 55.08 2jkn n GLU 17 Cb 0.65 -0.62 0.06 0.00 -0.57 0.00 0.00 31.44 30.96 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 0.99 -6.37 3.49 3.11 -1.97 -3.34 116.57 112.48 2jkn h LYS 18 Ca -0.24 -0.07 -0.58 0.00 -2.81 0.00 0.00 60.65 56.95 2jkn h LYS 18 Cb 0.77 -0.22 -0.09 0.00 -1.00 0.00 0.00 32.23 31.69 2jkn h LYS 18 CO 0.21 0.67 0.76 0.00 -2.81 0.00 0.00 179.45 178.28 2jkn s GLN 20 N 4.24 2.92 -0.37 0.00 0.74 -1.25 -5.05 119.66 120.89 2jkn s GLN 20 Ca 0.41 -0.81 -0.02 0.00 0.05 0.00 0.00 55.36 54.99 2jkn s GLN 20 Cb -0.09 -2.45 0.09 0.00 1.10 0.00 0.00 33.01 31.66 2jkn s GLN 20 CO 0.27 -0.12 0.12 0.08 -0.55 0.00 0.00 175.29 175.09 2jkn s VAL 21 N 1.09 3.11 -0.31 1.34 1.01 -1.26 -5.07 120.40 120.30 2jkn s VAL 21 Ca -0.01 -1.85 -0.23 0.00 0.00 0.00 0.00 61.98 59.89 2jkn s VAL 21 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2jkn s VAL 21 CO -0.08 -0.49 0.78 -0.13 0.00 0.00 0.00 175.10 175.19 2jkn s ARG 22 N 1.16 3.96 -0.17 2.72 0.52 -1.26 -5.03 118.95 120.84 2jkn s ARG 22 Ca 0.04 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 55.79 2jkn s ARG 22 Cb -0.21 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 2jkn s ARG 22 CO -0.03 -0.68 -0.05 0.08 0.02 0.00 0.00 175.30 174.64 2jkn s VAL 23 N 2.95 3.62 0.00 3.52 1.01 -1.26 -5.01 120.40 125.23 2jkn s VAL 23 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2jkn s VAL 23 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2jkn s VAL 23 CO 0.13 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2jkn n GLY 24 N 3.93 -1.13 3.71 4.51 0.00 -1.26 -4.92 105.19 110.02 2jkn n GLY 24 Ca -0.18 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.42 1.71 -4.68 1.61 10.43 -1.26 -4.90 116.55 119.03 2jkn n ASP 25 Ca 0.00 0.77 -0.44 0.00 2.57 0.00 0.00 54.79 57.69 2jkn n ASP 25 Cb 0.00 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.40 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 -2.06 3.35 -4.24 0.64 7.94 -1.26 -5.00 117.00 116.37 2jkn n LEU 26 Ca 0.15 1.12 -0.14 0.00 -1.11 0.00 0.00 56.01 56.03 2jkn n LEU 26 Cb 0.48 -1.46 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 2jkn n LEU 26 CO 0.47 -0.30 -0.22 0.42 -1.11 0.00 0.00 177.39 176.66 2jkn s THR 27 N 0.27 0.11 -0.22 1.96 -4.23 -1.26 -5.11 115.64 107.16 2jkn s THR 27 Ca 0.71 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.93 2jkn s THR 27 Cb -0.62 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2jkn s THR 27 CO 0.45 0.00 1.15 -0.69 -0.54 0.00 0.00 174.62 174.99 2jkn s VAL 28 N -3.97 4.47 0.01 2.29 1.01 -1.26 -5.01 120.40 117.94 2jkn s VAL 28 Ca 0.39 1.76 0.00 0.00 0.00 0.00 0.00 61.98 64.13 2jkn s VAL 28 Cb 0.06 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2jkn s VAL 28 CO 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 175.10 175.02 2jkn s ALA 29 N 3.44 0.13 0.03 5.51 0.00 -1.26 -1.44 121.76 128.18 2jkn s ALA 29 Ca 0.49 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.22 2jkn s ALA 29 Cb -0.18 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2jkn s ALA 29 CO 0.11 -0.03 -0.05 0.15 0.00 0.00 0.00 175.76 175.95 2jkn s LYS 30 N -0.51 0.40 0.62 0.00 1.02 -0.11 -4.95 119.74 116.21 2jkn s LYS 30 Ca -0.05 -0.69 -0.14 0.00 0.02 0.00 0.00 55.97 55.12 2jkn s LYS 30 Cb -0.04 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.21 2jkn s LYS 30 CO -0.00 -0.01 1.04 0.95 -0.92 0.00 0.00 175.35 176.41 2jkn s THR 31 N -1.52 4.10 0.47 2.17 -4.23 -1.26 -0.72 115.64 114.65 2jkn s THR 31 Ca -0.13 0.85 0.26 0.00 -1.18 0.00 0.00 61.69 61.49 2jkn s THR 31 Cb -0.09 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.55 2jkn s THR 31 CO -0.01 -0.73 2.12 0.08 -0.54 0.00 0.00 174.62 175.54 2jkn h ARG 32 N 0.02 0.00 0.00 3.99 0.11 -1.21 -1.16 114.38 116.13 2jkn h ARG 32 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jkn h ARG 32 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2jkn h ARG 32 CO 0.58 0.09 0.00 0.78 0.10 0.00 0.00 179.97 181.52 2jkn h GLY 33 N 0.54 0.00 0.03 0.08 0.00 -1.84 -2.15 103.07 99.72 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 -0.14 -1.06 0.00 0.00 0.00 176.54 175.35 2jkn n GLN 34 N -2.73 1.15 -1.87 4.80 6.02 -0.44 -4.47 117.38 119.84 2jkn n GLN 34 Ca -0.00 -0.65 -0.40 0.00 -0.01 0.00 0.00 57.00 55.94 2jkn n GLN 34 Cb 0.18 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.36 8.07 -4.92 1.08 4.77 -0.81 -4.85 117.00 119.98 2jkn n LEU 35 Ca 0.15 -4.74 -0.26 0.00 -0.03 0.00 0.00 56.01 51.13 2jkn n LEU 35 Cb 0.34 -1.42 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 2jkn n LEU 35 CO 0.22 1.99 0.47 0.42 -1.33 0.00 0.00 177.39 179.16 2jkn s THR 36 N -0.20 4.16 0.20 -5.08 -4.23 -1.26 -1.61 115.64 107.61 2jkn s THR 36 Ca 0.56 0.02 -0.33 0.00 -1.18 0.00 0.00 61.69 60.77 2jkn s THR 36 Cb 0.18 -3.61 -0.14 0.00 1.34 0.00 0.00 72.50 70.27 2jkn s THR 36 CO -0.08 -0.59 1.51 -0.67 -0.54 0.00 0.00 174.62 174.25 2jkn n ASP 37 N -2.41 2.99 0.00 3.99 2.03 -1.26 -1.87 116.55 120.02 2jkn n ASP 37 Ca 0.03 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2jkn n ASP 37 Cb 0.57 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 2.79 0.00 -1.84 -1.67 0.00 0.81 -4.94 120.51 115.65 2jkn n ALA 38 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2jkn n ALA 38 Cb 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.04 3.79 0.17 0.00 0.00 -0.78 -4.57 121.76 118.32 2jkn s ALA 39 Ca 0.00 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 2jkn s ALA 39 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 2jkn s ALA 39 CO 0.00 -0.85 1.18 -1.25 0.00 0.00 0.00 175.76 174.84 2jkn s PRO 40 N 0.58 4.51 -0.24 0.00 0.04 -1.26 -0.38 135.00 138.25 2jkn s PRO 40 Ca 0.68 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 63.47 2jkn s PRO 40 Cb -0.46 -3.26 -0.17 0.00 0.04 0.00 0.00 34.50 30.66 2jkn s PRO 40 CO 0.37 -0.07 -0.13 -0.89 0.04 0.00 0.00 177.00 176.32 2jkn n ILE 41 N 2.60 1.55 0.00 0.56 5.41 0.78 -4.91 119.36 125.35 2jkn n ILE 41 Ca 0.04 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2jkn n ILE 41 Cb 0.45 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 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 1.74 1.46 3.89 7.39 0.00 -1.18 -5.03 105.19 113.46 2jkn n GLY 42 Ca -0.45 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 3.72 -0.21 1.61 0.04 -1.26 -1.69 135.00 135.22 2jkn s PRO 43 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2jkn s PRO 43 Cb 0.00 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.98 2jkn s PRO 43 CO 0.00 0.23 -0.07 0.08 0.04 0.00 0.00 177.00 177.28 2jkn s VAL 44 N -2.00 1.45 0.35 -0.36 1.01 0.84 -4.96 120.40 116.73 2jkn s VAL 44 Ca 0.46 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2jkn s VAL 44 Cb -0.11 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 2jkn s VAL 44 CO 0.26 0.03 1.07 0.42 0.00 0.00 0.00 175.10 176.88 2jkn s THR 45 N 1.46 3.63 -0.05 3.92 -4.23 -1.26 -0.41 115.64 118.70 2jkn s THR 45 Ca -0.03 1.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.89 2jkn s THR 45 Cb -0.17 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.89 2jkn s THR 45 CO -0.07 0.16 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.44 2jkn s VAL 46 N -1.45 0.47 -0.20 2.29 1.01 -0.07 -4.92 120.40 117.52 2jkn s VAL 46 Ca 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2jkn s VAL 46 Cb -0.26 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.67 2jkn s VAL 46 CO 0.33 0.22 0.06 -1.10 0.00 0.00 0.00 175.10 174.60 2jkn s GLN 47 N 1.04 0.48 0.03 2.72 -1.52 -1.26 -0.57 119.66 120.58 2jkn s GLN 47 Ca -0.09 -0.38 -0.07 0.00 -1.95 0.00 0.00 55.36 52.87 2jkn s GLN 47 Cb -0.14 -1.98 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2jkn s GLN 47 CO -0.01 -0.69 0.31 0.00 -0.25 0.00 0.00 175.29 174.65 2jkn s ALA 48 N 1.93 3.81 -0.01 6.09 0.00 -0.26 -5.01 121.76 128.32 2jkn s ALA 48 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.47 2jkn s ALA 48 Cb -0.17 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.82 2jkn s ALA 48 CO -0.11 0.62 -0.04 -0.51 0.00 0.00 0.00 175.76 175.72 2jkn s LEU 49 N -1.83 1.96 -0.69 0.00 1.02 -1.26 -4.55 118.68 113.32 2jkn s LEU 49 Ca 0.30 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2jkn s LEU 49 Cb -0.13 -0.24 0.00 0.00 0.02 0.00 0.00 46.19 45.84 2jkn s LEU 49 CO 0.17 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.20 2jkn n GLY 50 N 3.04 0.56 1.54 -3.19 0.00 -1.26 -4.95 105.19 100.94 2jkn n GLY 50 Ca -0.14 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 1.46 0.00 -0.05 0.00 3.45 -1.92 -2.20 116.42 117.16 2jkn h ASP 52 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 2jkn h ASP 52 Cb 1.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.26 2jkn h ASP 52 CO 0.64 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 178.34 2jkn n ALA 53 N -2.43 2.39 -2.35 3.45 0.00 -1.26 -3.81 120.51 116.50 2jkn n ALA 53 Ca -0.03 -2.53 -0.16 0.00 0.00 0.00 0.00 53.44 50.72 2jkn n ALA 53 Cb 0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.82 1.11 -0.33 0.00 1.81 -0.94 -4.93 118.95 112.85 2jkn s ARG 54 Ca 0.33 -1.42 -0.17 0.00 -1.72 0.00 0.00 55.73 52.76 2jkn s ARG 54 Cb 0.28 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.95 2jkn s ARG 54 CO 0.04 0.13 0.44 -0.65 -0.68 0.00 0.00 175.30 174.58 2jkn s GLN 55 N -3.40 3.69 0.30 3.54 -0.21 -1.22 -1.62 119.66 120.75 2jkn s GLN 55 Ca 0.16 -0.19 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 2jkn s GLN 55 Cb -0.00 -3.77 -0.12 0.00 1.00 0.00 0.00 33.01 30.11 2jkn s GLN 55 CO 0.03 -0.53 1.51 0.28 -2.12 0.00 0.00 175.29 174.46 2jkn n VAL 56 N 5.30 1.27 -3.96 1.09 0.31 -1.26 -0.17 118.33 120.91 2jkn n VAL 56 Ca -0.07 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.86 2jkn n VAL 56 Cb 0.49 -1.84 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 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 -0.31 0.06 -0.07 3.52 0.00 0.13 -0.80 121.76 124.28 2jkn s ALA 57 Ca 0.62 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2jkn s ALA 57 Cb -0.53 0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2jkn s ALA 57 CO 0.53 -0.35 -0.12 -0.51 0.00 0.00 0.00 175.76 175.31 2jkn s LEU 58 N -2.40 1.58 -0.17 0.00 2.01 -0.18 -1.06 118.68 118.47 2jkn s LEU 58 Ca -0.01 -0.30 -0.03 0.00 0.01 0.00 0.00 54.13 53.80 2jkn s LEU 58 Cb 0.02 -0.83 -0.02 0.00 0.01 0.00 0.00 46.19 45.36 2jkn s LEU 58 CO -0.07 0.01 -0.05 -0.75 1.01 0.00 0.00 176.35 176.50 2jkn s LYS 59 N 0.82 3.55 0.41 1.70 2.20 -0.08 -0.21 119.74 128.14 2jkn s LYS 59 Ca -0.12 -0.58 -0.20 0.00 -0.36 0.00 0.00 55.97 54.71 2jkn s LYS 59 Cb -0.15 -2.89 -0.11 0.00 -1.51 0.00 0.00 37.83 33.17 2jkn s LYS 59 CO 0.02 0.13 0.92 0.00 -0.36 0.00 0.00 175.35 176.07 2jkn s ALA 60 N 0.63 3.08 0.72 3.13 0.00 0.11 -0.56 121.76 128.86 2jkn s ALA 60 Ca -0.03 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 2jkn s ALA 60 Cb -0.15 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2jkn s ALA 60 CO 0.03 0.16 1.25 -0.25 0.00 0.00 0.00 175.76 176.94 2jkn n ASP 61 N -0.56 1.60 -0.34 0.00 9.92 -0.68 -4.87 116.55 121.62 2jkn n ASP 61 Ca 0.06 0.73 0.16 0.00 -0.53 0.00 0.00 54.79 55.21 2jkn n ASP 61 Cb 0.54 -1.53 0.38 0.00 -0.64 0.00 0.00 41.12 39.86 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 -0.08 0.61 0.00 -3.53 2.02 -1.94 0.70 112.91 110.69 2jkn h THR 62 Ca -0.49 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2jkn h THR 62 Cb 1.32 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2jkn h THR 62 CO 0.50 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkn n ASP 63 N -4.79 0.00 -0.60 4.18 8.00 -1.26 -3.47 116.55 118.60 2jkn n ASP 63 Ca 0.25 -0.68 0.06 0.00 0.71 0.00 0.00 54.79 55.13 2jkn n ASP 63 Cb 0.69 -0.03 0.13 0.00 -0.02 0.00 0.00 41.12 41.89 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 -1.03 2.69 -3.79 -2.24 5.03 0.24 -4.74 115.26 111.41 2jkn n ASN 64 Ca 0.17 -1.86 -0.12 0.00 0.87 0.00 0.00 54.58 53.64 2jkn n ASN 64 Cb 0.09 -0.17 -0.09 0.00 -1.02 0.00 0.00 39.78 38.59 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 -0.99 -0.10 -0.22 3.10 -0.12 -1.23 -1.26 117.98 117.16 2jkn s PHE 65 Ca 0.21 0.08 -0.27 0.00 -0.05 0.00 0.00 56.93 56.90 2jkn s PHE 65 Cb 0.12 0.06 0.10 0.00 -0.63 0.00 0.00 43.02 42.67 2jkn s PHE 65 CO 0.16 -0.40 0.89 -2.00 -0.05 0.00 0.00 175.22 173.82 2jkn s GLU 66 N -1.72 0.69 -1.41 1.99 2.12 -0.39 -4.99 118.70 115.00 2jkn s GLU 66 Ca -0.11 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 2jkn s GLU 66 Cb -0.04 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.68 2jkn s GLU 66 CO 0.01 -0.13 0.37 1.04 -0.54 0.00 0.00 175.26 176.01 2jkn n GLN 67 N 1.87 -2.42 -0.89 4.30 1.13 -1.26 -0.13 117.38 119.97 2jkn n GLN 67 Ca -0.13 0.32 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 2jkn n GLN 67 Cb 0.56 -4.17 0.00 0.00 0.11 0.00 0.00 30.24 26.74 2jkn n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jkn n GLY 68 N -2.11 0.31 3.50 1.08 0.00 -1.26 -4.99 105.19 101.72 2jkn n GLY 68 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.90 2.33 0.16 1.61 1.02 0.82 -5.02 119.74 119.76 2jkn s LYS 69 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.22 2jkn s LYS 69 Cb 0.00 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 2jkn s LYS 69 CO 0.00 0.58 0.10 -0.06 -0.92 0.00 0.00 175.35 175.05 2jkn s PHE 70 N -0.89 3.09 -0.18 3.18 0.40 -1.26 -1.26 117.98 121.06 2jkn s PHE 70 Ca 0.14 -0.03 -0.28 0.00 -0.60 0.00 0.00 56.93 56.16 2jkn s PHE 70 Cb -0.11 -1.50 0.09 0.00 0.51 0.00 0.00 43.02 42.01 2jkn s PHE 70 CO 0.04 0.52 0.79 -0.59 0.70 0.00 0.00 175.22 176.68 2jkn s PHE 71 N -1.71 -0.64 0.60 0.36 -0.12 -0.39 -1.96 117.98 114.12 2jkn s PHE 71 Ca 0.30 1.36 -0.17 0.00 -0.05 0.00 0.00 56.93 58.37 2jkn s PHE 71 Cb -0.10 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 2jkn s PHE 71 CO 0.22 -0.43 1.10 -0.51 -0.05 0.00 0.00 175.22 175.55 2jkn s LEU 72 N -0.40 3.56 -0.01 -1.99 1.02 0.02 -4.52 118.68 116.36 2jkn s LEU 72 Ca -0.04 2.02 0.05 0.00 0.02 0.00 0.00 54.13 56.18 2jkn s LEU 72 Cb -0.03 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.61 2jkn s LEU 72 CO 0.03 -1.35 -0.18 -0.51 0.02 0.00 0.00 176.35 174.37 2jkn s ILE 73 N -2.15 1.39 0.90 -0.59 1.10 -0.45 -1.17 121.20 120.23 2jkn s ILE 73 Ca 0.68 -0.77 -0.11 0.00 -0.51 0.00 0.00 60.65 59.93 2jkn s ILE 73 Cb -0.20 -1.16 0.13 0.00 0.15 0.00 0.00 42.46 41.38 2jkn s ILE 73 CO 0.34 0.37 1.09 -0.94 -2.11 0.00 0.00 174.94 173.70 2jkn s SER 74 N -0.47 3.33 0.49 4.50 1.04 -0.14 -0.98 113.70 121.47 2jkn s SER 74 Ca 0.07 1.65 0.16 0.00 0.48 0.00 0.00 55.95 58.31 2jkn s SER 74 Cb -0.07 -2.30 1.19 0.00 0.10 0.00 0.00 66.02 64.94 2jkn s SER 74 CO -0.01 -2.76 2.07 0.44 0.98 0.00 0.00 173.24 173.97 2jkn h ASP 75 N -1.63 0.14 -0.01 7.02 3.32 -1.53 -0.85 116.42 122.89 2jkn h ASP 75 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jkn h ASP 75 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2jkn h ASP 75 CO 0.52 0.10 0.00 -0.46 -1.72 0.00 0.00 179.24 177.67 2jkn n ASN 76 N -4.48 0.80 0.00 6.45 6.94 -1.26 -4.91 115.26 118.81 2jkn n ASN 76 Ca 0.03 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 2jkn n ASN 76 Cb 0.26 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 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 -0.37 -3.09 -0.06 0.53 5.15 -0.32 -4.90 115.26 112.20 2jkn n ASN 77 Ca 0.21 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.98 2jkn n ASN 77 Cb 0.24 -1.30 -0.13 0.00 -0.53 0.00 0.00 39.78 38.07 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 -1.80 0.70 -4.04 1.20 0.63 -1.26 -4.89 116.66 107.20 2jkn n ARG 78 Ca 0.00 0.25 -0.35 0.00 -0.92 0.00 0.00 57.85 56.83 2jkn n ARG 78 Cb 0.12 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.30 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 -6.88 5.64 -0.06 6.15 1.01 -1.26 -4.97 116.67 116.31 2jkn s ASP 79 Ca -0.28 0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.07 2jkn s ASP 79 Cb 0.08 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 2jkn s ASP 79 CO 0.68 0.21 0.06 -0.54 0.21 0.00 0.00 175.17 175.79 2jkn s LYS 80 N 0.13 3.10 -0.33 8.23 1.02 -1.26 -0.96 119.74 129.67 2jkn s LYS 80 Ca 0.05 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2jkn s LYS 80 Cb -0.12 -2.89 0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2jkn s LYS 80 CO 0.01 0.69 0.06 -1.17 -0.92 0.00 0.00 175.35 174.02 2jkn s LEU 81 N -1.26 3.87 0.31 3.17 2.96 -0.32 -4.97 118.68 122.45 2jkn s LEU 81 Ca 0.18 -1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 51.85 2jkn s LEU 81 Cb -0.12 -1.37 -0.10 0.00 0.50 0.00 0.00 46.19 45.10 2jkn s LEU 81 CO 0.07 -0.38 1.31 -0.31 -1.32 0.00 0.00 176.35 175.72 2jkn s TYR 82 N 1.15 3.08 0.11 5.38 1.51 -1.26 -0.80 117.35 126.52 2jkn s TYR 82 Ca 0.10 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 2jkn s TYR 82 Cb -0.18 -3.67 -0.04 0.00 -0.11 0.00 0.00 41.96 37.95 2jkn s TYR 82 CO -0.13 -1.88 0.00 0.14 -1.11 0.00 0.00 175.55 172.57 2jkn s VAL 83 N -0.96 0.36 -0.04 0.71 -7.23 -0.83 -0.88 120.40 111.53 2jkn s VAL 83 Ca 0.50 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2jkn s VAL 83 Cb -0.39 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2jkn s VAL 83 CO 0.51 -0.68 -0.05 0.20 -0.31 0.00 0.00 175.10 174.76 2jkn s ASN 84 N -3.04 4.77 -0.19 4.85 0.01 0.74 -4.31 114.94 117.77 2jkn s ASN 84 Ca 0.17 -0.03 -0.02 0.00 -0.71 0.00 0.00 52.86 52.27 2jkn s ASN 84 Cb 0.07 -1.20 -0.01 0.00 0.41 0.00 0.00 41.25 40.52 2jkn s ASN 84 CO -0.02 0.34 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.19 2jkn s ILE 85 N -0.90 3.17 -0.12 0.60 1.01 -1.26 -1.32 121.20 122.38 2jkn s ILE 85 Ca 0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 2jkn s ILE 85 Cb -0.11 -2.41 0.05 0.00 0.01 0.00 0.00 42.46 40.00 2jkn s ILE 85 CO 0.04 0.46 0.30 -0.60 0.00 0.00 0.00 174.94 175.14 2jkn s ARG 86 N 1.15 0.27 0.41 2.79 3.52 -0.55 -4.98 118.95 121.56 2jkn s ARG 86 Ca 0.01 0.59 -0.25 0.00 -0.13 0.00 0.00 55.73 55.96 2jkn s ARG 86 Cb -0.14 -0.07 -0.08 0.00 -1.56 0.00 0.00 34.95 33.09 2jkn s ARG 86 CO -0.02 -0.15 1.20 -1.25 -0.81 0.00 0.00 175.30 174.27 2jkn s PRO 87 N 1.20 3.97 0.50 5.12 0.04 -1.26 -0.46 135.00 144.11 2jkn s PRO 87 Ca -0.09 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.13 2jkn s PRO 87 Cb -0.09 -2.64 1.27 0.00 0.04 0.00 0.00 34.50 33.08 2jkn s PRO 87 CO -0.09 -0.41 1.97 1.79 0.04 0.00 0.00 177.00 180.30 2jkn h THR 88 N 2.26 0.43 -0.23 1.26 1.35 -1.45 -2.77 112.91 113.75 2jkn h THR 88 Ca -0.49 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2jkn h THR 88 Cb 1.24 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2jkn h THR 88 CO 0.62 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.13 2jkn n ASP 89 N -3.41 1.74 -2.05 5.36 3.85 -1.26 -4.93 116.55 115.85 2jkn n ASP 89 Ca -0.01 -1.81 -0.12 0.00 -0.71 0.00 0.00 54.79 52.14 2jkn n ASP 89 Cb 0.32 -0.15 -0.02 0.00 -1.35 0.00 0.00 41.12 39.92 2jkn n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2jkn n ASN 90 N 0.39 -3.63 -4.68 -1.12 4.05 -1.05 -4.95 115.26 104.27 2jkn n ASN 90 Ca 0.15 0.24 -0.30 0.00 0.45 0.00 0.00 54.58 55.11 2jkn n ASN 90 Cb 0.32 -3.20 0.15 0.00 1.23 0.00 0.00 39.78 38.28 2jkn n ASN 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2jkn s SER 91 N -2.03 3.14 -0.15 1.20 1.04 -1.26 -4.95 113.70 110.69 2jkn s SER 91 Ca 0.00 1.90 -0.22 0.00 0.48 0.00 0.00 55.95 58.10 2jkn s SER 91 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2jkn s SER 91 CO 0.00 -2.91 0.69 0.00 0.98 0.00 0.00 173.24 172.00 2jkn s ALA 92 N -2.73 3.47 0.27 5.32 0.00 -1.26 -4.84 121.76 121.98 2jkn s ALA 92 Ca 0.65 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.60 2jkn s ALA 92 Cb -0.21 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 2jkn s ALA 92 CO 0.58 -0.42 -0.06 -1.58 0.00 0.00 0.00 175.76 174.28 2jkn s TRP 93 N 1.57 1.89 0.04 0.00 0.52 -1.26 -0.94 118.94 120.76 2jkn s TRP 93 Ca 0.33 -0.70 0.06 0.00 0.02 0.00 0.00 56.10 55.81 2jkn s TRP 93 Cb -0.16 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2jkn s TRP 93 CO 0.13 0.27 -0.17 0.99 0.02 0.00 0.00 176.95 178.18 2jkn s THR 94 N -3.04 1.36 -0.18 2.01 2.01 0.93 -4.85 115.64 113.89 2jkn s THR 94 Ca 0.29 -1.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 2jkn s THR 94 Cb 0.03 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2jkn s THR 94 CO 0.11 0.13 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.27 2jkn s THR 95 N -0.77 3.99 -0.28 -0.82 2.01 -1.26 -0.73 115.64 117.77 2jkn s THR 95 Ca 0.05 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 2jkn s THR 95 Cb -0.08 -2.78 0.11 0.00 0.01 0.00 0.00 72.50 69.76 2jkn s THR 95 CO 0.01 0.46 0.20 -0.62 -0.69 0.00 0.00 174.62 173.98 2jkn s ASP 96 N 0.67 2.66 -1.17 3.53 3.68 0.86 -4.97 116.67 121.92 2jkn s ASP 96 Ca -0.01 -1.01 -0.26 0.00 2.13 0.00 0.00 52.55 53.40 2jkn s ASP 96 Cb -0.14 0.04 0.01 0.00 -1.45 0.00 0.00 42.92 41.38 2jkn s ASP 96 CO 0.02 -0.41 0.74 -3.20 0.13 0.00 0.00 175.17 172.45 2jkn n ASN 97 N 5.28 -4.75 0.00 -0.34 5.15 -1.26 -1.77 115.26 117.58 2jkn n ASN 97 Ca -0.04 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 2jkn n ASN 97 Cb 0.44 -2.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 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 -1.85 1.62 3.70 8.20 0.00 -1.26 -5.01 105.19 110.59 2jkn n GLY 98 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.42 4.98 -0.33 1.61 1.01 -0.73 -0.71 120.40 123.81 2jkn s VAL 99 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2jkn s VAL 99 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.23 2jkn s VAL 99 CO 0.00 0.50 0.06 0.12 0.00 0.00 0.00 175.10 175.78 2jkn s PHE 100 N 0.01 3.42 0.10 5.22 5.36 0.71 -0.10 117.98 132.70 2jkn s PHE 100 Ca 0.07 -2.19 0.09 0.00 -0.96 0.00 0.00 56.93 53.94 2jkn s PHE 100 Cb -0.12 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 2jkn s PHE 100 CO 0.00 -0.87 -0.24 1.52 -1.46 0.00 0.00 175.22 174.17 2jkn s TYR 101 N 1.17 2.08 0.16 10.12 1.13 0.09 -1.01 117.35 131.10 2jkn s TYR 101 Ca 0.00 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 2jkn s TYR 101 Cb -0.21 -1.17 -0.08 0.00 -1.10 0.00 0.00 41.96 39.41 2jkn s TYR 101 CO -0.03 0.23 1.21 0.21 -2.51 0.00 0.00 175.55 174.66 2jkn s LYS 102 N -1.75 4.48 0.40 -3.49 2.20 0.02 -0.05 119.74 121.54 2jkn s LYS 102 Ca 0.10 1.87 0.06 0.00 -0.36 0.00 0.00 55.97 57.65 2jkn s LYS 102 Cb -0.10 -3.26 0.81 0.00 -1.51 0.00 0.00 37.83 33.78 2jkn s LYS 102 CO 0.04 -0.13 2.04 -0.91 -0.36 0.00 0.00 175.35 176.03 2jkn h ASN 103 N 5.53 0.53 -2.96 1.43 4.21 -1.37 -3.43 115.58 119.53 2jkn h ASN 103 Ca -0.44 -0.01 -0.61 0.00 1.21 0.00 0.00 56.30 56.45 2jkn h ASN 103 Cb 1.21 -0.13 -0.11 0.00 -1.12 0.00 0.00 38.32 38.17 2jkn h ASN 103 CO 0.76 0.38 -0.65 -0.62 -1.29 0.00 0.00 177.43 176.01 2jkn s ASP 104 N -6.59 4.88 0.84 5.81 -1.08 -1.26 -5.05 116.67 114.23 2jkn s ASP 104 Ca -0.09 -0.33 -0.12 0.00 -0.52 0.00 0.00 52.55 51.50 2jkn s ASP 104 Cb 0.18 -1.08 0.10 0.00 -1.46 0.00 0.00 42.92 40.65 2jkn s ASP 104 CO 0.74 0.10 1.10 0.68 0.52 0.00 0.00 175.17 178.32 2jkn s VAL 105 N -1.64 2.79 0.00 1.11 -7.23 -1.26 -4.54 120.40 109.61 2jkn s VAL 105 Ca 0.27 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 2jkn s VAL 105 Cb -0.10 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2jkn s VAL 105 CO 0.19 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2jkn n GLY 106 N -1.84 4.29 3.08 2.32 0.00 -0.64 -4.94 105.19 107.48 2jkn n GLY 106 Ca 0.07 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 4.63 -4.77 1.61 7.64 -1.20 -4.44 113.62 117.09 2jkn n SER 107 Ca 0.00 -2.94 -0.38 0.00 1.01 0.00 0.00 58.87 56.56 2jkn n SER 107 Cb 0.00 -1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 61.56 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 2.54 3.00 -0.03 1.43 -0.00 -1.26 -4.66 118.94 119.97 2jkn s TRP 108 Ca 0.46 1.54 0.03 0.00 -0.00 0.00 0.00 56.10 58.14 2jkn s TRP 108 Cb 0.08 -3.40 -0.00 0.00 -0.00 0.00 0.00 33.47 30.15 2jkn s TRP 108 CO -0.01 -1.40 -0.12 0.20 -0.00 0.00 0.00 176.95 175.62 2jkn s GLY 109 N -1.20 0.64 -0.03 5.86 0.00 -1.26 -1.10 107.32 110.23 2jkn s GLY 109 Ca 0.59 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.69 2jkn s GLY 109 CO 0.37 -0.24 0.67 0.61 0.00 0.00 0.00 173.10 174.51 2jkn n GLY 110 N 3.12 0.35 3.41 0.20 0.00 0.26 -5.00 105.19 107.54 2jkn n GLY 110 Ca -0.17 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.05 3.49 -0.30 -0.61 -1.09 -1.26 -0.89 121.20 118.49 2jkn s ILE 111 Ca 0.16 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 57.98 2jkn s ILE 111 Cb -0.00 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 2jkn s ILE 111 CO -0.01 0.49 0.18 -0.63 -1.23 0.00 0.00 174.94 173.74 2jkn s ILE 112 N 0.59 5.08 0.03 2.92 -1.09 0.45 -1.02 121.20 128.16 2jkn s ILE 112 Ca -0.05 -0.05 -0.18 0.00 -2.23 0.00 0.00 60.65 58.14 2jkn s ILE 112 Cb -0.15 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.19 2jkn s ILE 112 CO 0.03 0.17 0.51 -0.83 -1.23 0.00 0.00 174.94 173.59 2jkn s GLY 113 N 1.71 2.58 -0.24 6.18 0.00 0.39 -0.11 107.32 117.84 2jkn s GLY 113 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 2jkn s GLY 113 CO 0.09 0.42 0.04 -0.42 0.00 0.00 0.00 173.10 173.23 2jkn s ILE 114 N -0.86 4.09 0.03 0.90 -1.09 -0.68 -1.48 121.20 122.12 2jkn s ILE 114 Ca 0.27 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 2jkn s ILE 114 Cb -0.18 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.78 2jkn s ILE 114 CO 0.16 0.36 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.75 2jkn s TYR 115 N 1.52 1.54 0.20 3.97 2.02 -0.43 -0.16 117.35 126.01 2jkn s TYR 115 Ca 0.06 -0.35 -0.32 0.00 -0.37 0.00 0.00 57.07 56.09 2jkn s TYR 115 Cb -0.15 -0.93 -0.12 0.00 -0.40 0.00 0.00 41.96 40.37 2jkn s TYR 115 CO 0.02 0.05 1.74 0.28 -1.57 0.00 0.00 175.55 176.07 2jkn n VAL 116 N 2.02 0.04 -3.47 0.71 0.31 0.49 -0.18 118.33 118.24 2jkn n VAL 116 Ca -0.17 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.72 2jkn n VAL 116 Cb 0.54 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 2jkn n VAL 116 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jkn s ASP 117 N 1.33 6.06 0.00 4.52 2.15 -0.06 -0.14 116.67 130.54 2jkn s ASP 117 Ca 0.76 -2.36 0.00 0.00 0.43 0.00 0.00 52.55 51.38 2jkn s ASP 117 Cb -0.50 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2jkn s ASP 117 CO 0.33 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 2jkn n GLY 118 N 4.35 -0.17 3.69 2.66 0.00 -1.26 -4.69 105.19 109.77 2jkn n GLY 118 Ca 0.02 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2jkn n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jkn n GLN 119 N 0.50 2.63 -2.66 1.61 7.27 -1.26 -4.36 117.38 121.10 2jkn n GLN 119 Ca 0.00 0.95 -0.09 0.00 0.07 0.00 0.00 57.00 57.93 2jkn n GLN 119 Cb 0.00 -2.81 0.03 0.00 2.41 0.00 0.00 30.24 29.87 2jkn n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jkn n GLN 120 N 4.97 1.37 0.00 3.69 6.02 -0.64 -4.91 117.38 127.88 2jkn n GLN 120 Ca 0.18 -3.37 0.09 0.00 -0.01 0.00 0.00 57.00 53.90 2jkn n GLN 120 Cb 0.35 -1.35 0.55 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.15 0.00 -0.36 5.09 -2.24 -1.24 -2.12 114.28 113.26 2jkn n THR 121 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 2jkn n THR 121 Cb 0.81 -0.56 0.23 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.91 3.48 -4.71 3.42 5.03 -1.26 -4.35 115.26 115.95 2jkn n ASN 122 Ca 0.14 -2.17 -0.43 0.00 0.87 0.00 0.00 54.58 52.99 2jkn n ASN 122 Cb 0.06 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.43 2jkn n ASN 122 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 2jkn n THR 123 N 0.71 0.01 -2.06 3.41 -1.04 -0.90 -4.93 114.28 109.48 2jkn n THR 123 Ca 0.17 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.78 2jkn n THR 123 Cb 0.58 -1.89 -0.01 0.00 -1.82 0.00 0.00 70.33 67.18 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 1.14 4.17 0.37 -2.82 0.02 -1.26 -4.82 135.00 131.80 2jkn s PRO 124 Ca 0.76 2.22 -0.28 0.00 0.02 0.00 0.00 61.00 63.73 2jkn s PRO 124 Cb -0.54 -2.93 -0.11 0.00 0.02 0.00 0.00 34.50 30.94 2jkn s PRO 124 CO 0.33 -0.35 1.40 -2.30 -0.33 0.00 0.00 177.00 175.76 2jkn n PRO 125 N 0.48 2.42 -3.51 5.54 -0.02 -1.26 -4.87 135.00 133.78 2jkn n PRO 125 Ca 0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2jkn n PRO 125 Cb 0.42 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2jkn n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkn n GLY 126 N 0.59 -1.92 3.56 -1.23 0.00 -0.54 -4.97 105.19 100.67 2jkn n GLY 126 Ca 0.03 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.65 5.62 -0.01 1.61 0.01 -1.26 -0.82 114.94 119.45 2jkn s ASN 127 Ca 0.00 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2jkn s ASN 127 Cb 0.00 -2.01 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 2jkn s ASN 127 CO 0.00 0.03 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.11 2jkn s TYR 128 N 1.26 2.53 0.02 2.20 2.02 0.41 -1.23 117.35 124.56 2jkn s TYR 128 Ca 0.06 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 2jkn s TYR 128 Cb -0.14 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2jkn s TYR 128 CO 0.05 0.15 -0.08 0.99 -1.57 0.00 0.00 175.55 175.08 2jkn s THR 129 N -0.77 0.63 -0.08 -0.71 2.01 -0.15 -0.74 115.64 115.83 2jkn s THR 129 Ca 0.12 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2jkn s THR 129 Cb -0.10 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.84 2jkn s THR 129 CO 0.02 -0.05 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.61 2jkn s LEU 130 N -0.78 1.21 -0.16 4.42 2.96 0.17 -1.34 118.68 125.16 2jkn s LEU 130 Ca -0.02 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2jkn s LEU 130 Cb -0.06 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 2jkn s LEU 130 CO 0.00 -0.09 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.94 2jkn s THR 131 N 1.36 2.96 -0.10 3.68 2.01 -1.26 -0.14 115.64 124.15 2jkn s THR 131 Ca -0.03 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2jkn s THR 131 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.11 2jkn s THR 131 CO -0.03 0.50 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.45 2jkn s LEU 132 N 0.85 1.90 -0.13 4.42 1.43 -0.17 -1.69 118.68 125.28 2jkn s LEU 132 Ca -0.04 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 2jkn s LEU 132 Cb -0.15 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2jkn s LEU 132 CO 0.00 0.08 -0.01 -0.89 0.23 0.00 0.00 176.35 175.75 2jkn s THR 133 N 0.68 4.12 0.38 5.49 2.01 0.28 -0.89 115.64 127.70 2jkn s THR 133 Ca -0.12 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.34 2jkn s THR 133 Cb -0.16 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.47 2jkn s THR 133 CO 0.03 0.53 1.03 -0.83 -0.69 0.00 0.00 174.62 174.69 2jkn s GLY 134 N -0.09 2.77 0.00 4.40 0.00 -0.44 -0.90 107.32 113.06 2jkn s GLY 134 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2jkn s GLY 134 CO 0.02 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.85 2jkn n GLY 135 N 0.43 1.10 3.05 0.20 0.00 -0.23 -1.12 105.19 108.62 2jkn n GLY 135 Ca 0.04 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.48 0.42 -0.11 1.61 1.13 -0.60 -0.70 117.35 117.62 2jkn s TYR 136 Ca 0.00 -0.86 -0.04 0.00 -1.41 0.00 0.00 57.07 54.76 2jkn s TYR 136 Cb 0.00 -0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 2jkn s TYR 136 CO 0.00 -0.31 0.05 -0.46 -2.51 0.00 0.00 175.55 172.31 2jkn s TRP 137 N -3.03 3.29 0.00 -3.49 -0.11 0.76 -1.01 118.94 115.35 2jkn s TRP 137 Ca -0.01 0.27 0.00 0.00 1.22 0.00 0.00 56.10 57.57 2jkn s TRP 137 Cb 0.01 -1.86 0.00 0.00 -1.50 0.00 0.00 33.47 30.12 2jkn s TRP 137 CO -0.07 0.50 0.04 0.00 -4.62 0.00 0.00 176.95 172.81