#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkl s SER 1 N 0.00 2.62 -0.18 1.61 0.15 0.13 -4.96 113.70 113.06 2jkl s SER 1 Ca 0.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 2jkl s SER 1 Cb 0.00 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 2jkl s SER 1 CO 0.00 0.14 0.10 0.12 1.20 0.00 0.00 173.24 174.81 2jkl s PHE 2 N 0.27 3.37 -0.32 3.44 2.19 -1.26 -1.39 117.98 124.28 2jkl s PHE 2 Ca -0.13 0.26 -0.06 0.00 0.33 0.00 0.00 56.93 57.33 2jkl s PHE 2 Cb -0.16 -2.09 0.03 0.00 -1.31 0.00 0.00 43.02 39.49 2jkl s PHE 2 CO 0.06 0.31 0.09 0.99 1.83 0.00 0.00 175.22 178.49 2jkl s THR 3 N 0.14 3.81 0.13 0.12 2.01 0.65 -4.98 115.64 117.52 2jkl s THR 3 Ca 0.07 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 2jkl s THR 3 Cb -0.12 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 2jkl s THR 3 CO -0.00 -0.08 1.77 -2.84 -0.69 0.00 0.00 174.62 172.77 2jkl s PRO 4 N 1.43 4.15 -0.41 4.92 0.02 -1.26 -1.85 135.00 142.00 2jkl s PRO 4 Ca -0.00 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2jkl s PRO 4 Cb -0.19 -3.49 0.19 0.00 0.02 0.00 0.00 34.50 31.04 2jkl s PRO 4 CO 0.02 -0.80 0.87 0.45 -0.33 0.00 0.00 177.00 177.22 2jkl s SER 5 N 2.34 -0.94 0.00 2.53 0.15 -0.45 -4.93 113.70 112.40 2jkl s SER 5 Ca 0.78 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2jkl s SER 5 Cb -0.45 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2jkl s SER 5 CO 0.35 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2jkl n GLY 6 N 3.33 -0.63 4.02 9.45 0.00 -1.13 -3.65 105.19 116.57 2jkl n GLY 6 Ca 0.12 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 2jkl n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkl s THR 7 N -2.92 2.39 -0.09 2.61 -4.23 -1.26 -4.66 115.64 107.48 2jkl s THR 7 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2jkl s THR 7 Cb 0.00 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 2jkl s THR 7 CO 0.00 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.07 2jkl s THR 8 N -2.57 3.20 -0.08 3.99 2.01 -1.26 -1.38 115.64 119.55 2jkl s THR 8 Ca 0.58 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2jkl s THR 8 Cb -0.07 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2jkl s THR 8 CO 0.36 0.56 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.93 2jkl s GLY 9 N -0.20 1.65 -0.16 4.40 0.00 0.03 -4.97 107.32 108.07 2jkl s GLY 9 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2jkl s GLY 9 CO 0.03 -0.57 -0.20 -1.59 0.00 0.00 0.00 173.10 170.77 2jkl s THR 10 N -0.54 2.02 -0.28 0.90 2.01 -1.26 -1.15 115.64 117.34 2jkl s THR 10 Ca 0.08 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.04 2jkl s THR 10 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 2jkl s THR 10 CO 0.02 0.54 0.20 -0.89 -0.69 0.00 0.00 174.62 173.79 2jkl s THR 11 N 1.13 5.31 0.05 -0.82 2.01 0.57 -4.95 115.64 118.93 2jkl s THR 11 Ca 0.01 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.29 2jkl s THR 11 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2jkl s THR 11 CO -0.09 0.25 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.31 2jkl s LYS 12 N 1.72 1.83 -0.14 4.92 1.02 -1.26 -0.64 119.74 127.20 2jkl s LYS 12 Ca 0.08 -1.10 -0.07 0.00 0.02 0.00 0.00 55.97 54.89 2jkl s LYS 12 Cb -0.16 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.18 2jkl s LYS 12 CO 0.10 0.51 0.32 -1.17 -0.92 0.00 0.00 175.35 174.20 2jkl s LEU 13 N -1.35 0.15 -0.24 3.17 2.96 -0.34 -4.64 118.68 118.38 2jkl s LEU 13 Ca 0.13 0.70 -0.09 0.00 -0.22 0.00 0.00 54.13 54.64 2jkl s LEU 13 Cb -0.10 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.57 2jkl s LEU 13 CO 0.03 -0.18 0.13 -0.89 -1.32 0.00 0.00 176.35 174.12 2jkl s THR 14 N 1.38 5.04 -0.17 3.68 2.01 -0.51 -0.12 115.64 126.96 2jkl s THR 14 Ca -0.09 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 2jkl s THR 14 Cb -0.10 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2jkl s THR 14 CO -0.11 0.34 0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 2jkl s VAL 15 N 1.24 5.41 0.38 3.82 1.01 0.12 -1.07 120.40 131.31 2jkl s VAL 15 Ca 0.06 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2jkl s VAL 15 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2jkl s VAL 15 CO 0.05 0.51 0.12 0.42 0.00 0.00 0.00 175.10 176.20 2jkl s THR 16 N -0.21 0.70 0.68 3.92 -4.23 -0.45 -1.42 115.64 114.63 2jkl s THR 16 Ca 0.11 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 2jkl s THR 16 Cb -0.11 -2.45 0.15 0.00 1.34 0.00 0.00 72.50 71.43 2jkl s THR 16 CO 0.01 0.00 0.93 -0.62 -0.54 0.00 0.00 174.62 174.40 2jkl n GLU 17 N -0.84 -0.42 -0.13 3.99 -0.58 -1.26 -0.99 120.64 120.41 2jkl n GLU 17 Ca -0.05 -2.02 -0.05 0.00 -0.42 0.00 0.00 57.16 54.62 2jkl n GLU 17 Cb 0.65 -0.78 0.03 0.00 -0.57 0.00 0.00 31.44 30.78 2jkl n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2jkl h LYS 18 N 0.00 0.33 -6.57 3.49 3.64 -1.98 -3.34 116.57 112.14 2jkl h LYS 18 Ca -0.31 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.50 2jkl h LYS 18 Cb 1.00 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.68 2jkl h LYS 18 CO 0.28 0.22 1.01 0.00 -2.27 0.00 0.00 179.45 178.68 2jkl s GLN 20 N 4.96 3.24 -0.36 0.00 0.74 -1.25 -5.05 119.66 121.93 2jkl s GLN 20 Ca 0.49 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 2jkl s GLN 20 Cb -0.09 -2.69 0.09 0.00 1.10 0.00 0.00 33.01 31.42 2jkl s GLN 20 CO 0.28 -0.03 0.11 0.08 -0.55 0.00 0.00 175.29 175.19 2jkl s VAL 21 N 0.94 3.00 -0.30 1.34 1.01 -1.26 -5.08 120.40 120.06 2jkl s VAL 21 Ca -0.03 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.80 2jkl s VAL 21 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2jkl s VAL 21 CO -0.02 -0.50 0.80 -0.13 0.00 0.00 0.00 175.10 175.25 2jkl s ARG 22 N 1.13 3.99 -0.16 2.72 0.52 -1.26 -5.04 118.95 120.85 2jkl s ARG 22 Ca 0.05 0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.87 2jkl s ARG 22 Cb -0.21 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.52 2jkl s ARG 22 CO -0.04 -0.66 -0.07 0.08 0.02 0.00 0.00 175.30 174.63 2jkl s VAL 23 N 2.96 3.53 0.00 3.52 1.01 -1.26 -5.03 120.40 125.14 2jkl s VAL 23 Ca 0.33 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2jkl s VAL 23 Cb -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.70 2jkl s VAL 23 CO 0.12 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jkl n GLY 24 N 3.74 -1.50 3.59 4.51 0.00 -1.26 -4.93 105.19 109.35 2jkl n GLY 24 Ca -0.18 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 2jkl n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jkl n ASP 25 N 0.00 0.29 -4.75 1.61 10.43 -1.26 -4.91 116.55 117.97 2jkl n ASP 25 Ca 0.00 0.71 -0.42 0.00 2.57 0.00 0.00 54.79 57.65 2jkl n ASP 25 Cb 0.00 -1.37 -0.02 0.00 1.84 0.00 0.00 41.12 41.58 2jkl n ASP 25 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2jkl s LEU 26 N -2.19 4.35 0.15 0.64 2.96 -1.26 -5.01 118.68 118.31 2jkl s LEU 26 Ca 0.73 2.94 -0.01 0.00 -0.22 0.00 0.00 54.13 57.57 2jkl s LEU 26 Cb -0.37 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.65 2jkl s LEU 26 CO 0.50 -0.93 0.08 0.42 -1.32 0.00 0.00 176.35 175.10 2jkl s THR 27 N 0.19 0.08 -0.22 3.68 -4.23 -1.26 -5.11 115.64 108.76 2jkl s THR 27 Ca 0.65 -1.92 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2jkl s THR 27 Cb -0.48 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 2jkl s THR 27 CO 0.45 -0.34 1.39 -0.69 -0.54 0.00 0.00 174.62 174.90 2jkl s VAL 28 N -4.07 4.03 0.01 2.29 1.01 -1.26 -4.99 120.40 117.41 2jkl s VAL 28 Ca 0.28 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2jkl s VAL 28 Cb 0.07 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2jkl s VAL 28 CO 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 175.10 174.83 2jkl s ALA 29 N 4.29 0.05 0.01 5.51 0.00 -1.26 -1.42 121.76 128.94 2jkl s ALA 29 Ca 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2jkl s ALA 29 Cb -0.21 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2jkl s ALA 29 CO 0.23 -0.05 0.05 0.15 0.00 0.00 0.00 175.76 176.13 2jkl s LYS 30 N -0.47 0.39 0.61 0.00 1.02 -0.23 -4.95 119.74 116.11 2jkl s LYS 30 Ca -0.05 -0.51 -0.14 0.00 0.02 0.00 0.00 55.97 55.29 2jkl s LYS 30 Cb -0.03 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 2jkl s LYS 30 CO -0.00 -0.08 1.04 0.95 -0.92 0.00 0.00 175.35 176.33 2jkl s THR 31 N -1.42 4.18 0.52 2.17 -4.23 -1.26 -1.34 115.64 114.25 2jkl s THR 31 Ca -0.15 0.88 0.22 0.00 -1.18 0.00 0.00 61.69 61.46 2jkl s THR 31 Cb -0.09 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.50 2jkl s THR 31 CO 0.00 -0.76 2.15 0.08 -0.54 0.00 0.00 174.62 175.56 2jkl h ARG 32 N 0.08 0.00 0.00 3.99 0.11 -1.35 -1.33 114.38 115.88 2jkl h ARG 32 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2jkl h ARG 32 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jkl h ARG 32 CO 0.59 0.05 0.00 0.78 0.10 0.00 0.00 179.97 181.49 2jkl h GLY 33 N 0.22 0.00 0.47 0.08 0.00 -1.85 -2.18 103.07 99.80 2jkl h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jkl h GLY 33 CO 0.01 0.00 -0.24 -1.06 0.00 0.00 0.00 176.54 175.25 2jkl n GLN 34 N -2.67 0.73 -1.43 4.80 6.02 -0.50 -4.41 117.38 119.92 2jkl n GLN 34 Ca 0.01 -0.39 -0.30 0.00 -0.01 0.00 0.00 57.00 56.30 2jkl n GLN 34 Cb 0.23 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 2jkl n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jkl n LEU 35 N -0.79 7.30 -4.88 1.08 4.77 -0.82 -4.86 117.00 118.79 2jkl n LEU 35 Ca 0.12 -4.14 -0.30 0.00 -0.03 0.00 0.00 56.01 51.66 2jkl n LEU 35 Cb 0.33 -1.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.04 2jkl n LEU 35 CO 0.26 1.92 0.72 0.42 -1.33 0.00 0.00 177.39 179.38 2jkl s THR 36 N 0.30 3.86 0.21 -5.08 -4.23 -1.26 -0.90 115.64 108.54 2jkl s THR 36 Ca 0.64 0.55 -0.32 0.00 -1.18 0.00 0.00 61.69 61.37 2jkl s THR 36 Cb 0.25 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 70.37 2jkl s THR 36 CO -0.08 -0.76 1.58 -0.67 -0.54 0.00 0.00 174.62 174.14 2jkl n ASP 37 N -2.89 3.36 0.00 3.99 2.03 -1.26 -1.56 116.55 120.23 2jkl n ASP 37 Ca 0.06 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.48 2jkl n ASP 37 Cb 0.56 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2jkl n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jkl n ALA 38 N 2.99 0.00 -1.81 -1.67 0.00 0.93 -4.92 120.51 116.03 2jkl n ALA 38 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2jkl n ALA 38 Cb 0.32 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 2jkl n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkl s ALA 39 N -2.12 3.78 0.28 0.00 0.00 -0.60 -4.55 121.76 118.55 2jkl s ALA 39 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 2jkl s ALA 39 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 2jkl s ALA 39 CO 0.00 -0.88 1.14 -1.25 0.00 0.00 0.00 175.76 174.77 2jkl s PRO 40 N 0.25 4.59 -0.23 0.00 0.04 -1.26 -0.59 135.00 137.80 2jkl s PRO 40 Ca 0.67 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.56 2jkl s PRO 40 Cb -0.46 -3.18 -0.14 0.00 0.04 0.00 0.00 34.50 30.77 2jkl s PRO 40 CO 0.40 0.13 -0.23 -0.89 0.04 0.00 0.00 177.00 176.45 2jkl n ILE 41 N 1.23 1.31 0.00 0.56 5.41 0.25 -4.90 119.36 123.22 2jkl n ILE 41 Ca -0.01 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2jkl n ILE 41 Cb 0.44 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 2jkl n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jkl n GLY 42 N 2.17 2.58 3.91 7.39 0.00 -1.22 -5.03 105.19 114.99 2jkl n GLY 42 Ca -0.42 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 2jkl n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkl s PRO 43 N -2.00 3.61 -0.15 1.61 0.04 -1.26 -2.23 135.00 134.61 2jkl s PRO 43 Ca 0.00 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.11 2jkl s PRO 43 Cb 0.00 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 32.04 2jkl s PRO 43 CO 0.00 0.06 -0.07 0.08 0.04 0.00 0.00 177.00 177.11 2jkl s VAL 44 N -2.33 1.20 0.33 -0.36 1.01 0.70 -4.96 120.40 115.99 2jkl s VAL 44 Ca 0.45 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 2jkl s VAL 44 Cb -0.10 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 2jkl s VAL 44 CO 0.35 0.23 0.95 0.42 0.00 0.00 0.00 175.10 177.04 2jkl s THR 45 N 1.61 4.22 -0.04 3.92 -4.23 -1.26 -0.21 115.64 119.65 2jkl s THR 45 Ca 0.02 1.79 0.01 0.00 -1.18 0.00 0.00 61.69 62.32 2jkl s THR 45 Cb -0.14 -3.97 0.02 0.00 1.34 0.00 0.00 72.50 69.75 2jkl s THR 45 CO -0.08 0.10 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.38 2jkl s VAL 46 N -1.67 0.39 -0.21 2.29 1.01 0.18 -4.94 120.40 117.45 2jkl s VAL 46 Ca 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2jkl s VAL 46 Cb -0.18 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.82 2jkl s VAL 46 CO 0.23 0.20 0.07 -1.10 0.00 0.00 0.00 175.10 174.49 2jkl s GLN 47 N 1.02 0.45 0.02 2.72 -1.52 -1.26 -0.68 119.66 120.40 2jkl s GLN 47 Ca -0.10 -0.40 -0.06 0.00 -1.95 0.00 0.00 55.36 52.86 2jkl s GLN 47 Cb -0.14 -1.93 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 2jkl s GLN 47 CO -0.01 -0.72 0.26 0.00 -0.25 0.00 0.00 175.29 174.57 2jkl s ALA 48 N 1.94 3.86 -0.01 6.09 0.00 -0.45 -5.01 121.76 128.19 2jkl s ALA 48 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2jkl s ALA 48 Cb -0.17 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2jkl s ALA 48 CO -0.13 0.67 -0.03 -0.51 0.00 0.00 0.00 175.76 175.76 2jkl s LEU 49 N -1.86 1.91 -0.89 0.00 1.02 -1.26 -4.57 118.68 113.03 2jkl s LEU 49 Ca 0.28 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.38 2jkl s LEU 49 Cb -0.13 -0.18 0.00 0.00 0.02 0.00 0.00 46.19 45.90 2jkl s LEU 49 CO 0.17 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.18 2jkl n GLY 50 N 3.13 0.80 1.72 -3.19 0.00 -1.26 -4.94 105.19 101.45 2jkl n GLY 50 Ca -0.14 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 2jkl n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkl h ASP 52 N 1.35 0.00 -0.03 0.00 3.04 -1.92 -1.97 116.42 116.89 2jkl h ASP 52 Ca 0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 2jkl h ASP 52 Cb 1.73 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.02 2jkl h ASP 52 CO 0.80 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 178.00 2jkl n ALA 53 N -2.45 2.35 -2.33 4.15 0.00 -1.26 -3.72 120.51 117.25 2jkl n ALA 53 Ca 0.00 -2.58 -0.14 0.00 0.00 0.00 0.00 53.44 50.73 2jkl n ALA 53 Cb 0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 2jkl n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jkl s ARG 54 N -2.85 0.93 -0.39 0.00 1.81 -1.00 -4.93 118.95 112.52 2jkl s ARG 54 Ca 0.33 -1.30 -0.18 0.00 -1.72 0.00 0.00 55.73 52.85 2jkl s ARG 54 Cb 0.28 -0.51 0.01 0.00 -0.45 0.00 0.00 34.95 34.28 2jkl s ARG 54 CO 0.04 0.06 0.52 -0.65 -0.68 0.00 0.00 175.30 174.59 2jkl s GLN 55 N -3.35 3.42 0.37 3.54 -0.21 -1.26 -1.93 119.66 120.23 2jkl s GLN 55 Ca 0.11 -0.36 -0.27 0.00 0.02 0.00 0.00 55.36 54.86 2jkl s GLN 55 Cb 0.01 -3.88 -0.12 0.00 1.00 0.00 0.00 33.01 30.02 2jkl s GLN 55 CO -0.01 -0.78 1.30 0.28 -2.12 0.00 0.00 175.29 173.97 2jkl n VAL 56 N 5.53 2.14 -3.77 1.09 0.31 -1.26 -1.45 118.33 120.92 2jkl n VAL 56 Ca -0.05 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 2jkl n VAL 56 Cb 0.48 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 2jkl n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jkl s ALA 57 N -1.12 -0.62 -0.06 3.52 0.00 0.34 -1.08 121.76 122.74 2jkl s ALA 57 Ca 0.57 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.50 2jkl s ALA 57 Cb -0.54 0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2jkl s ALA 57 CO 0.61 -0.41 -0.16 -0.51 0.00 0.00 0.00 175.76 175.30 2jkl s LEU 58 N -2.09 1.81 -0.14 0.00 2.01 -0.27 -0.95 118.68 119.04 2jkl s LEU 58 Ca -0.05 -0.36 -0.01 0.00 0.01 0.00 0.00 54.13 53.72 2jkl s LEU 58 Cb -0.01 -0.97 -0.01 0.00 0.01 0.00 0.00 46.19 45.20 2jkl s LEU 58 CO -0.04 0.09 -0.11 -0.75 1.01 0.00 0.00 176.35 176.55 2jkl s LYS 59 N 0.41 3.41 0.43 1.70 2.20 -0.02 -0.44 119.74 127.44 2jkl s LYS 59 Ca -0.12 -0.67 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 2jkl s LYS 59 Cb -0.15 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.38 2jkl s LYS 59 CO 0.04 0.16 0.92 0.00 -0.36 0.00 0.00 175.35 176.11 2jkl s ALA 60 N 0.49 3.10 0.67 3.13 0.00 -0.03 -0.97 121.76 128.15 2jkl s ALA 60 Ca -0.08 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2jkl s ALA 60 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2jkl s ALA 60 CO 0.04 0.06 1.26 -0.51 0.00 0.00 0.00 175.76 176.61 2jkl s ASP 61 N -2.47 4.50 0.33 0.00 1.11 -0.75 -4.86 116.67 114.54 2jkl s ASP 61 Ca 0.59 2.54 0.10 0.00 0.18 0.00 0.00 52.55 55.96 2jkl s ASP 61 Cb -0.09 -2.61 0.89 0.00 1.07 0.00 0.00 42.92 42.17 2jkl s ASP 61 CO 0.19 -2.07 1.75 0.74 1.18 0.00 0.00 175.17 176.97 2jkl h THR 62 N 0.32 0.59 0.00 -1.27 2.02 -1.93 0.99 112.91 113.63 2jkl h THR 62 Ca -0.50 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2jkl h THR 62 Cb 1.32 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jkl h THR 62 CO 0.52 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.99 2jkl n ASP 63 N -4.79 0.00 -0.78 4.18 8.00 -1.26 -3.44 116.55 118.46 2jkl n ASP 63 Ca 0.25 -0.49 0.07 0.00 0.71 0.00 0.00 54.79 55.33 2jkl n ASP 63 Cb 0.72 -0.11 0.17 0.00 -0.02 0.00 0.00 41.12 41.88 2jkl n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jkl n ASN 64 N -1.11 2.99 -3.71 -2.24 5.03 0.34 -4.73 115.26 111.83 2jkl n ASN 64 Ca 0.16 -1.91 -0.10 0.00 0.87 0.00 0.00 54.58 53.59 2jkl n ASN 64 Cb 0.12 -0.24 -0.05 0.00 -1.02 0.00 0.00 39.78 38.60 2jkl n ASN 64 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2jkl s PHE 65 N -1.04 -0.09 -0.30 3.10 -0.12 -1.22 -1.31 117.98 116.99 2jkl s PHE 65 Ca 0.27 -0.26 -0.18 0.00 -0.05 0.00 0.00 56.93 56.72 2jkl s PHE 65 Cb 0.15 0.20 0.20 0.00 -0.63 0.00 0.00 43.02 42.94 2jkl s PHE 65 CO 0.20 -0.71 1.27 -2.00 -0.05 0.00 0.00 175.22 173.93 2jkl s GLU 66 N -3.84 0.09 -1.45 1.99 2.12 -0.67 -4.98 118.70 111.96 2jkl s GLU 66 Ca 0.05 0.15 -0.08 0.00 0.36 0.00 0.00 54.97 55.44 2jkl s GLU 66 Cb 0.02 0.03 0.05 0.00 0.26 0.00 0.00 34.13 34.49 2jkl s GLU 66 CO -0.10 -0.02 0.85 1.04 -0.54 0.00 0.00 175.26 176.49 2jkl n GLN 67 N 2.80 -5.13 -0.97 4.30 6.02 -1.26 -1.37 117.38 121.77 2jkl n GLN 67 Ca -0.16 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2jkl n GLN 67 Cb 0.56 -5.31 0.00 0.00 1.02 0.00 0.00 30.24 26.51 2jkl n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkl n GLY 68 N -1.67 0.46 3.50 1.08 0.00 -1.26 -5.01 105.19 102.29 2jkl n GLY 68 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2jkl n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkl s LYS 69 N -0.43 2.49 0.10 1.61 1.02 -0.47 -5.00 119.74 119.06 2jkl s LYS 69 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2jkl s LYS 69 Cb 0.00 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2jkl s LYS 69 CO 0.00 0.62 0.06 -0.06 -0.92 0.00 0.00 175.35 175.05 2jkl s PHE 70 N -0.79 3.11 -0.13 3.18 0.40 -1.26 -1.67 117.98 120.82 2jkl s PHE 70 Ca 0.12 0.03 -0.29 0.00 -0.60 0.00 0.00 56.93 56.19 2jkl s PHE 70 Cb -0.11 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.93 2jkl s PHE 70 CO 0.02 0.51 0.76 -0.59 0.70 0.00 0.00 175.22 176.62 2jkl s PHE 71 N -1.44 -0.63 0.50 0.36 -0.12 -0.43 -1.71 117.98 114.51 2jkl s PHE 71 Ca 0.28 1.22 -0.19 0.00 -0.05 0.00 0.00 56.93 58.20 2jkl s PHE 71 Cb -0.12 0.38 -0.08 0.00 -0.63 0.00 0.00 43.02 42.58 2jkl s PHE 71 CO 0.21 -0.50 1.01 -0.51 -0.05 0.00 0.00 175.22 175.39 2jkl s LEU 72 N -0.76 3.76 0.02 -1.99 1.02 -0.17 -4.54 118.68 116.02 2jkl s LEU 72 Ca -0.06 1.79 0.07 0.00 0.02 0.00 0.00 54.13 55.95 2jkl s LEU 72 Cb -0.01 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.63 2jkl s LEU 72 CO 0.06 -0.73 -0.21 -0.51 0.02 0.00 0.00 176.35 174.98 2jkl s ILE 73 N -2.23 1.69 0.88 -0.59 1.10 -0.55 -1.44 121.20 120.06 2jkl s ILE 73 Ca 0.64 -1.09 -0.11 0.00 -0.51 0.00 0.00 60.65 59.57 2jkl s ILE 73 Cb -0.13 -1.44 0.12 0.00 0.15 0.00 0.00 42.46 41.15 2jkl s ILE 73 CO 0.24 0.31 1.09 -0.94 -2.11 0.00 0.00 174.94 173.53 2jkl s SER 74 N -0.92 3.58 0.42 4.50 1.04 -0.35 -1.07 113.70 120.91 2jkl s SER 74 Ca 0.08 1.57 0.13 0.00 0.48 0.00 0.00 55.95 58.21 2jkl s SER 74 Cb -0.09 -2.24 1.00 0.00 0.10 0.00 0.00 66.02 64.79 2jkl s SER 74 CO 0.01 -2.58 1.96 0.44 0.98 0.00 0.00 173.24 174.05 2jkl h ASP 75 N -1.51 0.40 -0.20 7.02 3.32 -1.51 -1.04 116.42 122.91 2jkl h ASP 75 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2jkl h ASP 75 Cb 1.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2jkl h ASP 75 CO 0.53 0.24 0.00 -0.46 -1.72 0.00 0.00 179.24 177.83 2jkl n ASN 76 N -4.47 1.35 0.00 6.45 6.94 -1.26 -4.90 115.26 119.36 2jkl n ASN 76 Ca 0.11 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 2jkl n ASN 76 Cb 0.39 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 2jkl n ASN 76 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2jkl n ASN 77 N 0.17 -4.12 -0.08 0.53 5.15 -0.39 -4.88 115.26 111.62 2jkl n ASN 77 Ca 0.12 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.90 2jkl n ASN 77 Cb 0.25 -2.00 -0.12 0.00 -0.53 0.00 0.00 39.78 37.37 2jkl n ASN 77 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jkl n ARG 78 N -1.01 0.68 -4.10 1.20 0.63 -1.26 -4.89 116.66 107.91 2jkl n ARG 78 Ca 0.00 0.21 -0.35 0.00 -0.92 0.00 0.00 57.85 56.79 2jkl n ARG 78 Cb 0.24 -1.59 -0.09 0.00 0.45 0.00 0.00 32.46 31.47 2jkl n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jkl s ASP 79 N -6.78 5.72 -0.03 6.15 1.01 -1.26 -4.97 116.67 116.52 2jkl s ASP 79 Ca -0.31 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.19 2jkl s ASP 79 Cb 0.09 -1.82 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 2jkl s ASP 79 CO 0.65 0.32 -0.05 -0.54 0.21 0.00 0.00 175.17 175.75 2jkl s LYS 80 N -0.49 2.67 -0.38 8.23 1.02 -1.26 -1.21 119.74 128.32 2jkl s LYS 80 Ca 0.10 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2jkl s LYS 80 Cb -0.12 -2.57 0.11 0.00 -0.52 0.00 0.00 37.83 34.73 2jkl s LYS 80 CO 0.02 0.63 0.13 -1.17 -0.92 0.00 0.00 175.35 174.05 2jkl s LEU 81 N -1.20 3.71 0.30 3.17 2.96 -0.52 -4.97 118.68 122.12 2jkl s LEU 81 Ca 0.16 -2.28 -0.29 0.00 -0.22 0.00 0.00 54.13 51.50 2jkl s LEU 81 Cb -0.11 -1.34 -0.10 0.00 0.50 0.00 0.00 46.19 45.13 2jkl s LEU 81 CO 0.06 -0.34 1.43 -0.31 -1.32 0.00 0.00 176.35 175.86 2jkl s TYR 82 N 0.75 2.93 0.11 5.38 1.51 -1.26 -1.00 117.35 125.76 2jkl s TYR 82 Ca 0.13 1.14 0.01 0.00 -1.01 0.00 0.00 57.07 57.33 2jkl s TYR 82 Cb -0.21 -3.84 -0.04 0.00 -0.11 0.00 0.00 41.96 37.76 2jkl s TYR 82 CO -0.09 -2.58 -0.03 0.14 -1.11 0.00 0.00 175.55 171.88 2jkl s VAL 83 N -0.52 0.49 -0.07 0.71 -7.23 -0.70 -1.02 120.40 112.07 2jkl s VAL 83 Ca 0.56 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2jkl s VAL 83 Cb -0.43 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 2jkl s VAL 83 CO 0.50 -0.76 -0.05 0.20 -0.31 0.00 0.00 175.10 174.68 2jkl s ASN 84 N -3.04 4.84 -0.18 4.85 0.01 0.31 -4.30 114.94 117.42 2jkl s ASN 84 Ca 0.15 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.30 2jkl s ASN 84 Cb 0.06 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 2jkl s ASN 84 CO -0.03 0.36 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.22 2jkl s ILE 85 N -0.85 3.32 -0.13 0.60 1.01 -1.26 -1.38 121.20 122.50 2jkl s ILE 85 Ca 0.13 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 2jkl s ILE 85 Cb -0.11 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.94 2jkl s ILE 85 CO 0.02 0.46 0.32 -0.60 0.00 0.00 0.00 174.94 175.15 2jkl s ARG 86 N 1.00 0.29 0.52 2.79 3.52 -0.51 -4.98 118.95 121.58 2jkl s ARG 86 Ca -0.00 0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 56.03 2jkl s ARG 86 Cb -0.15 -0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.11 2jkl s ARG 86 CO -0.00 -0.16 1.25 -1.25 -0.81 0.00 0.00 175.30 174.32 2jkl s PRO 87 N 1.35 3.35 0.46 5.12 0.04 -1.26 -0.40 135.00 143.67 2jkl s PRO 87 Ca -0.09 1.96 0.26 0.00 0.04 0.00 0.00 61.00 63.18 2jkl s PRO 87 Cb -0.10 -2.25 0.83 0.00 0.04 0.00 0.00 34.50 33.02 2jkl s PRO 87 CO -0.10 -0.94 1.78 1.79 0.04 0.00 0.00 177.00 179.57 2jkl h THR 88 N 1.50 0.22 -2.91 1.26 1.35 -1.59 -3.46 112.91 109.29 2jkl h THR 88 Ca -0.50 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2jkl h THR 88 Cb 1.28 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2jkl h THR 88 CO 0.58 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.05 2jkl n ASP 89 N -3.18 0.00 -1.54 5.36 3.85 -1.26 -5.00 116.55 114.78 2jkl n ASP 89 Ca 0.02 -0.78 0.06 0.00 -0.71 0.00 0.00 54.79 53.38 2jkl n ASP 89 Cb 0.44 0.00 0.32 0.00 -1.35 0.00 0.00 41.12 40.53 2jkl n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2jkl n ASN 90 N -2.34 4.56 -4.78 -1.12 3.02 -1.26 -4.97 115.26 108.37 2jkl n ASN 90 Ca 0.00 -2.64 -0.36 0.00 -0.03 0.00 0.00 54.58 51.55 2jkl n ASN 90 Cb 0.00 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 2jkl n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jkl s SER 91 N -0.67 6.28 -0.12 6.41 1.04 -1.26 -5.02 113.70 120.36 2jkl s SER 91 Ca 0.43 2.17 -0.14 0.00 0.48 0.00 0.00 55.95 58.89 2jkl s SER 91 Cb 0.31 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 2jkl s SER 91 CO 0.15 -0.83 0.34 0.00 0.98 0.00 0.00 173.24 173.88 2jkl s ALA 92 N -1.66 3.61 0.14 5.32 0.00 -1.26 -4.88 121.76 123.02 2jkl s ALA 92 Ca 0.64 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2jkl s ALA 92 Cb -0.25 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2jkl s ALA 92 CO 0.30 0.18 -0.08 -1.58 0.00 0.00 0.00 175.76 174.59 2jkl s TRP 93 N 0.09 1.17 0.06 0.00 0.52 -1.26 -1.12 118.94 118.40 2jkl s TRP 93 Ca 0.20 -0.84 0.06 0.00 0.02 0.00 0.00 56.10 55.54 2jkl s TRP 93 Cb -0.14 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 2jkl s TRP 93 CO 0.07 -0.02 -0.16 0.99 0.02 0.00 0.00 176.95 177.85 2jkl s THR 94 N -3.45 1.25 -0.21 2.01 2.01 0.13 -4.87 115.64 112.50 2jkl s THR 94 Ca 0.17 -1.21 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 2jkl s THR 94 Cb 0.04 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2jkl s THR 94 CO -0.00 -0.07 0.05 -0.89 -0.69 0.00 0.00 174.62 173.02 2jkl s THR 95 N -1.05 4.48 -0.33 -0.82 2.01 -1.26 -0.57 115.64 118.10 2jkl s THR 95 Ca 0.01 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 2jkl s THR 95 Cb -0.09 -3.04 0.12 0.00 0.01 0.00 0.00 72.50 69.49 2jkl s THR 95 CO 0.02 0.41 0.16 -0.62 -0.69 0.00 0.00 174.62 173.90 2jkl s ASP 96 N 0.89 3.48 -1.15 3.53 3.68 0.59 -4.97 116.67 122.72 2jkl s ASP 96 Ca 0.03 -1.80 -0.18 0.00 2.13 0.00 0.00 52.55 52.73 2jkl s ASP 96 Cb -0.14 -0.56 -0.01 0.00 -1.45 0.00 0.00 42.92 40.76 2jkl s ASP 96 CO 0.02 -0.37 0.78 -3.20 0.13 0.00 0.00 175.17 172.53 2jkl n ASN 97 N 4.59 -5.01 0.00 -0.34 5.15 -1.26 -2.03 115.26 116.36 2jkl n ASN 97 Ca 0.02 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 2jkl n ASN 97 Cb 0.40 -3.53 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 2jkl n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkl n GLY 98 N -1.66 1.41 3.57 8.20 0.00 -1.26 -5.01 105.19 110.44 2jkl n GLY 98 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2jkl n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkl s VAL 99 N -2.83 4.06 -0.32 1.61 1.01 -0.86 -0.86 120.40 122.21 2jkl s VAL 99 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2jkl s VAL 99 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2jkl s VAL 99 CO 0.00 0.53 0.04 0.12 0.00 0.00 0.00 175.10 175.79 2jkl s PHE 100 N -0.06 3.34 0.15 5.22 5.36 0.42 -0.30 117.98 132.10 2jkl s PHE 100 Ca 0.02 -1.98 0.10 0.00 -0.96 0.00 0.00 56.93 54.12 2jkl s PHE 100 Cb -0.13 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 2jkl s PHE 100 CO 0.02 -0.83 -0.24 1.52 -1.46 0.00 0.00 175.22 174.23 2jkl s TYR 101 N 1.23 2.16 0.17 10.12 1.13 0.27 -1.12 117.35 131.32 2jkl s TYR 101 Ca -0.02 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.95 2jkl s TYR 101 Cb -0.20 -1.13 -0.07 0.00 -1.10 0.00 0.00 41.96 39.46 2jkl s TYR 101 CO -0.02 0.37 0.99 0.21 -2.51 0.00 0.00 175.55 174.60 2jkl s LYS 102 N -2.32 4.72 0.45 -3.49 2.20 -0.24 0.17 119.74 121.23 2jkl s LYS 102 Ca 0.15 1.54 0.31 0.00 -0.36 0.00 0.00 55.97 57.61 2jkl s LYS 102 Cb -0.09 -3.32 1.49 0.00 -1.51 0.00 0.00 37.83 34.41 2jkl s LYS 102 CO 0.07 0.28 1.94 -0.91 -0.36 0.00 0.00 175.35 176.36 2jkl h ASN 103 N 4.95 0.00 -3.84 1.43 4.21 -1.46 -3.43 115.58 117.43 2jkl h ASN 103 Ca -0.44 0.00 -0.40 0.00 1.21 0.00 0.00 56.30 56.67 2jkl h ASN 103 Cb 1.21 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 38.24 2jkl h ASN 103 CO 0.70 0.00 -0.74 -1.81 -1.29 0.00 0.00 177.43 174.29 2jkl s ASP 104 N -4.81 2.08 0.86 5.81 1.01 -1.26 -5.10 116.67 115.27 2jkl s ASP 104 Ca -0.00 -0.90 -0.12 0.00 0.71 0.00 0.00 52.55 52.24 2jkl s ASP 104 Cb 0.09 -0.07 0.11 0.00 1.01 0.00 0.00 42.92 44.06 2jkl s ASP 104 CO 0.39 -0.19 1.11 0.68 0.21 0.00 0.00 175.17 177.37 2jkl s VAL 105 N -2.59 2.63 0.00 -1.27 -7.23 -1.26 -4.51 120.40 106.16 2jkl s VAL 105 Ca 0.14 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2jkl s VAL 105 Cb -0.02 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.04 2jkl s VAL 105 CO 0.03 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 2jkl n GLY 106 N -1.85 4.23 3.20 2.32 0.00 -0.77 -4.93 105.19 107.39 2jkl n GLY 106 Ca 0.07 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2jkl n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jkl n SER 107 N 0.00 4.68 -4.77 1.61 7.64 -1.19 -4.46 113.62 117.12 2jkl n SER 107 Ca 0.00 -2.93 -0.38 0.00 1.01 0.00 0.00 58.87 56.56 2jkl n SER 107 Cb 0.00 -1.66 -0.02 0.00 -1.01 0.00 0.00 64.21 61.52 2jkl n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2jkl s TRP 108 N 2.96 3.09 -0.02 1.43 -0.00 -1.26 -4.67 118.94 120.47 2jkl s TRP 108 Ca 0.48 1.55 0.04 0.00 -0.00 0.00 0.00 56.10 58.18 2jkl s TRP 108 Cb 0.07 -3.40 -0.01 0.00 -0.00 0.00 0.00 33.47 30.13 2jkl s TRP 108 CO 0.01 -1.31 -0.15 0.20 -0.00 0.00 0.00 176.95 175.70 2jkl s GLY 109 N -1.09 0.77 0.00 5.86 0.00 -1.26 -1.33 107.32 110.27 2jkl s GLY 109 Ca 0.56 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2jkl s GLY 109 CO 0.39 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.68 2jkl n GLY 110 N 2.91 -1.33 3.38 0.20 0.00 0.14 -5.00 105.19 105.49 2jkl n GLY 110 Ca -0.16 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2jkl n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkl s ILE 111 N -2.57 2.89 -0.23 -0.61 -1.09 -1.26 -0.64 121.20 117.68 2jkl s ILE 111 Ca 0.00 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 2jkl s ILE 111 Cb 0.00 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.70 2jkl s ILE 111 CO 0.00 0.55 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.62 2jkl s ILE 112 N -0.04 3.67 0.12 2.92 -1.09 0.70 -1.34 121.20 126.16 2jkl s ILE 112 Ca -0.04 -0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 57.84 2jkl s ILE 112 Cb -0.14 -2.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.98 2jkl s ILE 112 CO 0.04 0.40 0.54 -0.83 -1.23 0.00 0.00 174.94 173.86 2jkl s GLY 113 N 1.50 2.49 -0.22 6.18 0.00 0.47 -0.22 107.32 117.52 2jkl s GLY 113 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2jkl s GLY 113 CO -0.01 0.20 -0.06 -0.42 0.00 0.00 0.00 173.10 172.80 2jkl s ILE 114 N -1.38 3.13 0.10 0.90 -1.09 -0.95 -1.43 121.20 120.49 2jkl s ILE 114 Ca 0.35 -0.65 0.08 0.00 -2.23 0.00 0.00 60.65 58.21 2jkl s ILE 114 Cb -0.16 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.24 2jkl s ILE 114 CO 0.19 0.39 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.78 2jkl s TYR 115 N 1.43 1.72 0.14 3.97 2.02 -0.48 -0.58 117.35 125.57 2jkl s TYR 115 Ca 0.05 -0.42 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 2jkl s TYR 115 Cb -0.15 -0.94 -0.09 0.00 -0.40 0.00 0.00 41.96 40.38 2jkl s TYR 115 CO -0.05 0.19 1.58 0.08 -1.57 0.00 0.00 175.55 175.78 2jkl s VAL 116 N -1.20 2.78 -0.72 0.71 1.01 0.25 -0.53 120.40 122.70 2jkl s VAL 116 Ca 0.06 0.49 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2jkl s VAL 116 Cb -0.10 -3.32 0.18 0.00 0.00 0.00 0.00 36.38 33.15 2jkl s VAL 116 CO 0.04 0.03 0.66 -0.62 0.00 0.00 0.00 175.10 175.21 2jkl s ASP 117 N 1.47 6.52 0.00 3.32 2.15 -0.19 -0.05 116.67 129.88 2jkl s ASP 117 Ca 0.71 -2.36 0.00 0.00 0.43 0.00 0.00 52.55 51.32 2jkl s ASP 117 Cb -0.42 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2jkl s ASP 117 CO 0.31 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 2jkl n GLY 118 N 4.43 -0.65 3.69 2.66 0.00 -1.26 -4.75 105.19 109.32 2jkl n GLY 118 Ca 0.03 -1.34 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 2jkl n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkl n GLN 119 N 0.43 2.46 -2.61 1.61 -0.00 -1.26 -4.33 117.38 113.67 2jkl n GLN 119 Ca 0.00 0.89 -0.15 0.00 -0.00 0.00 0.00 57.00 57.74 2jkl n GLN 119 Cb 0.00 -2.70 0.02 0.00 -0.00 0.00 0.00 30.24 27.56 2jkl n GLN 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jkl n GLN 120 N 4.04 1.85 0.00 2.61 6.02 -0.08 -4.89 117.38 126.94 2jkl n GLN 120 Ca 0.17 -3.64 0.06 0.00 -0.01 0.00 0.00 57.00 53.57 2jkl n GLN 120 Cb 0.32 -1.56 0.33 0.00 1.02 0.00 0.00 30.24 30.35 2jkl n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2jkl n THR 121 N -0.19 0.00 0.20 5.09 -2.24 -1.24 -2.08 114.28 113.81 2jkl n THR 121 Ca 0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 2jkl n THR 121 Cb 0.77 -0.71 0.16 0.00 -2.10 0.00 0.00 70.33 68.45 2jkl n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jkl n ASN 122 N -0.92 2.97 -4.69 3.42 3.02 -1.26 -4.34 115.26 113.46 2jkl n ASN 122 Ca 0.08 -1.87 -0.44 0.00 -0.03 0.00 0.00 54.58 52.32 2jkl n ASN 122 Cb 0.04 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 2jkl n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jkl n THR 123 N 1.03 0.63 -2.21 3.41 -1.04 -0.89 -4.93 114.28 110.28 2jkl n THR 123 Ca 0.14 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.05 61.61 2jkl n THR 123 Cb 0.48 -1.62 -0.01 0.00 -1.82 0.00 0.00 70.33 67.36 2jkl n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2jkl s PRO 124 N 0.06 3.95 0.44 -2.82 0.02 -1.26 -4.82 135.00 130.57 2jkl s PRO 124 Ca 0.71 1.92 -0.26 0.00 0.02 0.00 0.00 61.00 63.39 2jkl s PRO 124 Cb -0.62 -2.64 -0.09 0.00 0.02 0.00 0.00 34.50 31.18 2jkl s PRO 124 CO 0.45 -0.43 1.42 -2.14 -0.33 0.00 0.00 177.00 175.97 2jkl s PRO 125 N -2.36 3.75 0.00 5.54 0.02 -1.26 -4.86 135.00 135.83 2jkl s PRO 125 Ca 0.58 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2jkl s PRO 125 Cb -0.32 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2jkl s PRO 125 CO 0.41 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 2jkl n GLY 126 N 0.58 -2.30 3.56 0.52 0.00 -0.51 -4.96 105.19 102.08 2jkl n GLY 126 Ca 0.05 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2jkl n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkl s ASN 127 N -0.51 5.69 0.04 1.61 0.01 -1.26 -0.71 114.94 119.82 2jkl s ASN 127 Ca 0.00 -0.04 0.06 0.00 -0.71 0.00 0.00 52.86 52.17 2jkl s ASN 127 Cb 0.00 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.59 2jkl s ASN 127 CO 0.00 0.01 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.17 2jkl s TYR 128 N 1.38 2.72 0.02 2.20 2.02 0.83 -1.18 117.35 125.33 2jkl s TYR 128 Ca 0.06 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2jkl s TYR 128 Cb -0.15 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2jkl s TYR 128 CO 0.06 0.34 -0.03 0.99 -1.57 0.00 0.00 175.55 175.34 2jkl s THR 129 N -1.03 0.13 -0.08 -0.71 2.01 -0.23 -1.20 115.64 114.53 2jkl s THR 129 Ca 0.17 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.47 2jkl s THR 129 Cb -0.11 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.20 2jkl s THR 129 CO 0.08 -0.36 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.40 2jkl s LEU 130 N -1.09 0.91 -0.17 4.42 2.96 0.19 -1.48 118.68 124.42 2jkl s LEU 130 Ca -0.11 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2jkl s LEU 130 Cb -0.07 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 2jkl s LEU 130 CO -0.01 -0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.93 2jkl s THR 131 N 1.70 3.54 -0.10 3.68 2.01 -1.26 -0.32 115.64 124.89 2jkl s THR 131 Ca 0.02 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2jkl s THR 131 Cb -0.13 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2jkl s THR 131 CO -0.05 0.47 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.44 2jkl s LEU 132 N 0.74 1.75 -0.14 4.42 1.43 -0.30 -1.80 118.68 124.78 2jkl s LEU 132 Ca -0.03 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2jkl s LEU 132 Cb -0.15 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2jkl s LEU 132 CO 0.02 0.04 -0.01 -0.89 0.23 0.00 0.00 176.35 175.73 2jkl s THR 133 N 0.83 4.12 0.45 5.49 2.01 -0.15 -0.79 115.64 127.62 2jkl s THR 133 Ca -0.10 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2jkl s THR 133 Cb -0.15 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.47 2jkl s THR 133 CO 0.01 0.52 0.98 -0.83 -0.69 0.00 0.00 174.62 174.61 2jkl s GLY 134 N -0.02 2.40 0.00 4.40 0.00 -0.48 -0.84 107.32 112.78 2jkl s GLY 134 Ca 0.02 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.19 2jkl s GLY 134 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.47 2jkl n GLY 135 N -0.59 -0.64 3.11 0.20 0.00 -0.12 -1.34 105.19 105.81 2jkl n GLY 135 Ca 0.08 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 2jkl n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jkl s TYR 136 N -3.44 0.71 0.21 1.61 1.13 -0.77 -0.50 117.35 116.30 2jkl s TYR 136 Ca 0.00 -0.78 0.11 0.00 -1.41 0.00 0.00 57.07 54.99 2jkl s TYR 136 Cb 0.00 -0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 40.38 2jkl s TYR 136 CO 0.00 -0.17 -0.19 -0.46 -2.51 0.00 0.00 175.55 172.22 2jkl s TRP 137 N -2.80 2.40 -0.02 -3.49 -0.00 -0.53 -0.25 118.94 114.26 2jkl s TRP 137 Ca 0.02 -0.31 -0.25 0.00 -0.00 0.00 0.00 56.10 55.56 2jkl s TRP 137 Cb -0.00 -1.15 0.05 0.00 -0.00 0.00 0.00 33.47 32.37 2jkl s TRP 137 CO -0.04 0.55 0.54 0.00 -0.00 0.00 0.00 176.95 178.00 2jkl s ALA 138 N -1.85 -1.40 -2.82 5.86 0.00 -0.49 -4.16 121.76 116.89 2jkl s ALA 138 Ca 0.24 0.88 0.23 0.00 0.00 0.00 0.00 51.96 53.30 2jkl s ALA 138 Cb -0.08 0.12 0.18 0.00 0.00 0.00 0.00 23.12 23.34 2jkl s ALA 138 CO 0.13 -0.38 1.21 0.36 0.00 0.00 0.00 175.76 177.08