#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 -0.25 -0.11 1.61 1.04 0.73 -4.94 113.70 111.79 2jkl s SER 1 Ca 0.00 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.05 2jkl s SER 1 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2jkl s SER 1 CO 0.00 -0.80 0.39 0.12 0.98 0.00 0.00 173.24 173.93 2jkl s PHE 2 N -3.43 3.54 -0.28 5.02 2.19 -1.26 0.24 117.98 124.01 2jkl s PHE 2 Ca 0.01 0.80 -0.04 0.00 0.33 0.00 0.00 56.93 58.03 2jkl s PHE 2 Cb 0.01 -2.41 0.03 0.00 -1.31 0.00 0.00 43.02 39.34 2jkl s PHE 2 CO -0.09 0.31 0.01 0.99 1.83 0.00 0.00 175.22 178.27 2jkl s THR 3 N 0.16 3.36 0.10 0.12 2.01 0.12 -4.98 115.64 116.54 2jkl s THR 3 Ca 0.22 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.93 2jkl s THR 3 Cb -0.15 -2.78 -0.09 0.00 0.01 0.00 0.00 72.50 69.50 2jkl s THR 3 CO 0.09 0.07 1.66 -2.84 -0.69 0.00 0.00 174.62 172.90 2jkl s PRO 4 N 1.38 4.19 -0.42 4.92 0.02 -1.26 -1.75 135.00 142.08 2jkl s PRO 4 Ca -0.00 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.41 2jkl s PRO 4 Cb -0.18 -3.48 0.19 0.00 0.02 0.00 0.00 34.50 31.06 2jkl s PRO 4 CO -0.01 -0.72 0.86 0.45 -0.33 0.00 0.00 177.00 177.26 2jkl s SER 5 N 2.12 -0.97 0.00 2.53 0.15 -0.59 -4.94 113.70 112.00 2jkl s SER 5 Ca 0.74 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2jkl s SER 5 Cb -0.42 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 2jkl s SER 5 CO 0.33 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2jkl n GLY 6 N 3.24 -1.12 4.01 9.45 0.00 -1.11 -3.59 105.19 116.07 2jkl n GLY 6 Ca 0.13 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.99 2.11 -0.08 2.61 -4.23 -1.26 -4.64 115.64 107.16 2jkl s THR 7 Ca 0.00 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 2jkl s THR 7 Cb 0.00 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 2jkl s THR 7 CO 0.00 0.00 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.01 2jkl s THR 8 N -2.67 2.67 -0.10 3.99 2.01 -1.26 -1.25 115.64 119.03 2jkl s THR 8 Ca 0.56 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.72 2jkl s THR 8 Cb -0.05 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2jkl s THR 8 CO 0.35 0.56 -0.10 -0.83 -0.69 0.00 0.00 174.62 173.92 2jkl s GLY 9 N -0.16 1.62 -0.16 4.40 0.00 -0.15 -4.97 107.32 107.90 2jkl s GLY 9 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2jkl s GLY 9 CO 0.04 -0.42 -0.19 -1.59 0.00 0.00 0.00 173.10 170.93 2jkl s THR 10 N -0.21 2.25 -0.26 0.90 2.01 -1.26 -1.16 115.64 117.91 2jkl s THR 10 Ca 0.02 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.02 2jkl s THR 10 Cb -0.13 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 2jkl s THR 10 CO 0.03 0.53 0.16 -0.89 -0.69 0.00 0.00 174.62 173.76 2jkl s THR 11 N 1.05 5.19 0.03 -0.82 2.01 0.47 -4.96 115.64 118.61 2jkl s THR 11 Ca -0.01 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.20 2jkl s THR 11 Cb -0.14 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2jkl s THR 11 CO -0.06 0.30 -0.26 -0.54 -0.69 0.00 0.00 174.62 173.37 2jkl s LYS 12 N 1.47 1.86 -0.11 4.92 1.02 -1.26 -0.70 119.74 126.93 2jkl s LYS 12 Ca 0.07 -1.05 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 2jkl s LYS 12 Cb -0.15 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.24 2jkl s LYS 12 CO 0.08 0.52 0.27 -1.17 -0.92 0.00 0.00 175.35 174.13 2jkl s LEU 13 N -1.07 0.41 -0.24 3.17 2.96 -0.02 -4.64 118.68 119.25 2jkl s LEU 13 Ca 0.11 0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 2jkl s LEU 13 Cb -0.10 0.84 -0.04 0.00 0.50 0.00 0.00 46.19 47.40 2jkl s LEU 13 CO 0.01 -0.16 0.11 -0.89 -1.32 0.00 0.00 176.35 174.10 2jkl s THR 14 N 1.14 4.79 -0.10 3.68 2.01 -0.63 -0.14 115.64 126.38 2jkl s THR 14 Ca -0.08 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 2jkl s THR 14 Cb -0.09 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2jkl s THR 14 CO -0.08 0.34 0.25 -0.69 -0.69 0.00 0.00 174.62 173.75 2jkl s VAL 15 N 1.35 5.32 0.40 3.82 1.01 0.04 -1.16 120.40 131.17 2jkl s VAL 15 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.56 2jkl s VAL 15 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2jkl s VAL 15 CO 0.05 0.55 0.20 0.42 0.00 0.00 0.00 175.10 176.32 2jkl s THR 16 N -0.63 0.31 0.61 3.92 -4.23 -0.01 -1.72 115.64 113.89 2jkl s THR 16 Ca 0.17 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2jkl s THR 16 Cb -0.14 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.48 2jkl s THR 16 CO 0.06 0.00 0.84 -0.62 -0.54 0.00 0.00 174.62 174.36 2jkl n GLU 17 N -0.85 -0.06 -0.18 3.99 1.02 -1.26 -1.02 120.64 122.27 2jkl n GLU 17 Ca -0.01 -2.19 -0.02 0.00 -0.02 0.00 0.00 57.16 54.92 2jkl n GLU 17 Cb 0.64 -0.59 0.09 0.00 -0.02 0.00 0.00 31.44 31.55 2jkl n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jkl h LYS 18 N 0.00 0.39 -6.24 3.49 3.64 -1.98 -3.32 116.57 112.55 2jkl h LYS 18 Ca -0.28 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.50 2jkl h LYS 18 Cb 1.00 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.64 2jkl h LYS 18 CO 0.29 0.26 0.75 0.00 -2.27 0.00 0.00 179.45 178.48 2jkl s GLN 20 N 4.35 3.19 -0.34 0.00 0.74 -1.25 -5.06 119.66 121.30 2jkl s GLN 20 Ca 0.37 -0.77 -0.00 0.00 0.05 0.00 0.00 55.36 55.01 2jkl s GLN 20 Cb -0.10 -2.56 0.08 0.00 1.10 0.00 0.00 33.01 31.53 2jkl s GLN 20 CO 0.23 0.06 0.06 0.08 -0.55 0.00 0.00 175.29 175.17 2jkl s VAL 21 N 0.70 2.80 -0.30 1.34 1.01 -1.26 -5.08 120.40 119.62 2jkl s VAL 21 Ca -0.08 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 2jkl s VAL 21 Cb -0.16 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2jkl s VAL 21 CO 0.01 -0.41 0.74 -0.13 0.00 0.00 0.00 175.10 175.32 2jkl s ARG 22 N 1.11 3.98 -0.14 2.72 0.52 -1.26 -5.04 118.95 120.83 2jkl s ARG 22 Ca 0.03 0.55 -0.02 0.00 -0.52 0.00 0.00 55.73 55.76 2jkl s ARG 22 Cb -0.21 -3.71 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 2jkl s ARG 22 CO -0.04 -0.62 -0.08 0.08 0.02 0.00 0.00 175.30 174.66 2jkl s VAL 23 N 2.82 3.50 0.00 3.52 1.01 -1.26 -5.03 120.40 124.96 2jkl s VAL 23 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2jkl s VAL 23 Cb -0.15 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2jkl s VAL 23 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2jkl n GLY 24 N 3.55 -1.28 3.65 4.51 0.00 -1.26 -4.91 105.19 109.44 2jkl n GLY 24 Ca -0.18 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.31 1.25 -4.71 1.61 10.43 -1.26 -4.91 116.55 118.64 2jkl n ASP 25 Ca 0.00 0.84 -0.43 0.00 2.57 0.00 0.00 54.79 57.77 2jkl n ASP 25 Cb 0.00 -1.44 -0.02 0.00 1.84 0.00 0.00 41.12 41.51 2jkl n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2jkl n LEU 26 N -0.93 3.83 -4.13 0.64 7.94 -1.26 -5.01 117.00 118.08 2jkl n LEU 26 Ca 0.13 1.16 -0.11 0.00 -1.11 0.00 0.00 56.01 56.09 2jkl n LEU 26 Cb 0.47 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.81 2jkl n LEU 26 CO 0.50 -0.18 -0.18 0.42 -1.11 0.00 0.00 177.39 176.84 2jkl s THR 27 N -0.32 0.03 -0.22 1.96 -4.23 -1.26 -5.11 115.64 106.49 2jkl s THR 27 Ca 0.63 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 2jkl s THR 27 Cb -0.56 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 2jkl s THR 27 CO 0.53 -0.16 1.32 -0.69 -0.54 0.00 0.00 174.62 175.08 2jkl s VAL 28 N -4.09 4.15 -0.00 2.29 1.01 -1.26 -4.99 120.40 117.50 2jkl s VAL 28 Ca 0.30 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2jkl s VAL 28 Cb 0.06 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2jkl s VAL 28 CO 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 175.10 174.93 2jkl s ALA 29 N 3.99 -0.06 0.02 5.51 0.00 -1.26 -1.61 121.76 128.35 2jkl s ALA 29 Ca 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 2jkl s ALA 29 Cb -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2jkl s ALA 29 CO 0.20 -0.06 0.05 0.15 0.00 0.00 0.00 175.76 176.09 2jkl s LYS 30 N -0.42 0.42 0.55 0.00 1.02 -0.31 -4.95 119.74 116.05 2jkl s LYS 30 Ca -0.05 -0.58 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 2jkl s LYS 30 Cb -0.03 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.38 2jkl s LYS 30 CO -0.00 -0.09 1.00 0.95 -0.92 0.00 0.00 175.35 176.29 2jkl s THR 31 N -1.69 4.52 0.49 2.17 -4.23 -1.26 -0.83 115.64 114.81 2jkl s THR 31 Ca -0.13 1.11 0.26 0.00 -1.18 0.00 0.00 61.69 61.74 2jkl s THR 31 Cb -0.07 -3.73 0.30 0.00 1.34 0.00 0.00 72.50 70.34 2jkl s THR 31 CO -0.01 -0.79 2.13 0.08 -0.54 0.00 0.00 174.62 175.49 2jkl h ARG 32 N 0.56 0.00 0.00 3.99 0.11 -1.38 -1.28 114.38 116.39 2jkl h ARG 32 Ca -0.46 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 2jkl h ARG 32 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jkl h ARG 32 CO 0.61 0.08 -0.02 0.78 0.10 0.00 0.00 179.97 181.52 2jkl h GLY 33 N 0.45 0.00 1.16 0.08 0.00 -1.85 -1.70 103.07 101.20 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 -0.16 -1.06 0.00 0.00 0.00 176.54 175.33 2jkl n GLN 34 N -3.17 0.41 -1.33 4.80 6.02 -0.48 -4.40 117.38 119.23 2jkl n GLN 34 Ca -0.01 -0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.56 2jkl n GLN 34 Cb 0.20 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.17 7.05 -4.90 1.08 4.77 -0.64 -4.83 117.00 118.36 2jkl n LEU 35 Ca 0.11 -3.98 -0.29 0.00 -0.03 0.00 0.00 56.01 51.83 2jkl n LEU 35 Cb 0.30 -1.43 0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2jkl n LEU 35 CO 0.27 1.89 0.63 0.42 -1.33 0.00 0.00 177.39 179.27 2jkl s THR 36 N 0.56 3.91 0.22 -5.08 -4.23 -1.26 -1.67 115.64 108.09 2jkl s THR 36 Ca 0.65 0.34 -0.32 0.00 -1.18 0.00 0.00 61.69 61.18 2jkl s THR 36 Cb 0.26 -3.58 -0.13 0.00 1.34 0.00 0.00 72.50 70.39 2jkl s THR 36 CO -0.07 -0.68 1.54 -0.67 -0.54 0.00 0.00 174.62 174.20 2jkl n ASP 37 N -2.73 3.22 0.00 3.99 2.03 -1.26 -1.82 116.55 119.99 2jkl n ASP 37 Ca 0.05 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.47 2jkl n ASP 37 Cb 0.57 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 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 2.73 0.00 -1.73 -1.67 0.00 0.36 -4.94 120.51 115.26 2jkl n ALA 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2jkl n ALA 38 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 2jkl n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkl n ALA 39 N 1.00 2.75 -1.85 0.00 0.00 -0.75 -4.54 120.51 117.12 2jkl n ALA 39 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2jkl n ALA 39 Cb 0.02 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 2jkl n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jkl s PRO 40 N 0.60 4.59 -0.25 0.00 0.04 -1.26 -0.58 135.00 138.14 2jkl s PRO 40 Ca 0.71 1.83 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 2jkl s PRO 40 Cb -0.50 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.70 2jkl s PRO 40 CO 0.38 0.12 -0.28 -0.89 0.04 0.00 0.00 177.00 176.37 2jkl n ILE 41 N 1.56 1.41 0.00 0.56 5.41 0.37 -4.90 119.36 123.77 2jkl n ILE 41 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2jkl n ILE 41 Cb 0.45 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 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 1.84 2.46 3.90 7.39 0.00 -1.21 -5.03 105.19 114.54 2jkl n GLY 42 Ca -0.47 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.16 1.61 0.04 -1.26 -2.23 135.00 134.61 2jkl s PRO 43 Ca 0.00 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.20 2jkl s PRO 43 Cb 0.00 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.12 2jkl s PRO 43 CO 0.00 -0.05 -0.05 0.08 0.04 0.00 0.00 177.00 177.02 2jkl s VAL 44 N -2.49 1.03 0.37 -0.36 1.01 0.41 -4.97 120.40 115.41 2jkl s VAL 44 Ca 0.47 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2jkl s VAL 44 Cb -0.10 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 2jkl s VAL 44 CO 0.38 0.14 1.01 0.42 0.00 0.00 0.00 175.10 177.05 2jkl s THR 45 N 1.67 3.93 -0.05 3.92 -4.23 -1.26 -0.64 115.64 118.98 2jkl s THR 45 Ca 0.01 1.52 0.01 0.00 -1.18 0.00 0.00 61.69 62.05 2jkl s THR 45 Cb -0.15 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.91 2jkl s THR 45 CO -0.08 0.05 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.32 2jkl s VAL 46 N -1.66 0.56 -0.21 2.29 1.01 0.05 -4.93 120.40 117.51 2jkl s VAL 46 Ca 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 2jkl s VAL 46 Cb -0.20 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.65 2jkl s VAL 46 CO 0.26 0.24 0.07 -1.10 0.00 0.00 0.00 175.10 174.57 2jkl s GLN 47 N 1.04 0.42 0.07 2.72 -1.52 -1.26 -0.76 119.66 120.37 2jkl s GLN 47 Ca -0.09 -0.39 -0.04 0.00 -1.95 0.00 0.00 55.36 52.89 2jkl s GLN 47 Cb -0.14 -1.90 -0.05 0.00 -0.22 0.00 0.00 33.01 30.70 2jkl s GLN 47 CO -0.01 -0.73 0.29 0.00 -0.25 0.00 0.00 175.29 174.60 2jkl s ALA 48 N 1.95 3.88 -0.02 6.09 0.00 -0.42 -5.01 121.76 128.22 2jkl s ALA 48 Ca 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2jkl s ALA 48 Cb -0.17 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.95 2jkl s ALA 48 CO -0.13 0.71 0.05 -0.51 0.00 0.00 0.00 175.76 175.88 2jkl s LEU 49 N -2.32 1.64 -0.62 0.00 1.02 -1.26 -4.58 118.68 112.56 2jkl s LEU 49 Ca 0.35 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.60 2jkl s LEU 49 Cb -0.13 0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.23 2jkl s LEU 49 CO 0.23 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.17 2jkl n GLY 50 N 3.29 0.76 1.40 -3.19 0.00 -1.26 -4.94 105.19 101.26 2jkl n GLY 50 Ca -0.15 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 1.00 0.10 -0.22 0.00 3.04 -1.92 -1.93 116.42 116.49 2jkl h ASP 52 Ca 0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 2jkl h ASP 52 Cb 1.93 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 40.20 2jkl h ASP 52 CO 0.55 0.05 0.00 0.00 -2.04 0.00 0.00 179.24 177.80 2jkl n ALA 53 N -2.61 2.87 -2.24 4.15 0.00 -1.26 -3.61 120.51 117.81 2jkl n ALA 53 Ca 0.11 -2.33 -0.13 0.00 0.00 0.00 0.00 53.44 51.08 2jkl n ALA 53 Cb 0.58 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.79 1.04 -0.34 0.00 1.81 -0.78 -4.91 118.95 112.97 2jkl s ARG 54 Ca 0.40 -1.47 -0.17 0.00 -1.72 0.00 0.00 55.73 52.78 2jkl s ARG 54 Cb 0.33 -0.42 -0.01 0.00 -0.45 0.00 0.00 34.95 34.40 2jkl s ARG 54 CO 0.08 -0.02 0.44 -0.65 -0.68 0.00 0.00 175.30 174.47 2jkl s GLN 55 N -3.83 3.60 0.54 3.54 -0.21 -1.26 -0.89 119.66 121.14 2jkl s GLN 55 Ca 0.19 -0.28 -0.22 0.00 0.02 0.00 0.00 55.36 55.06 2jkl s GLN 55 Cb 0.05 -3.80 -0.05 0.00 1.00 0.00 0.00 33.01 30.20 2jkl s GLN 55 CO 0.01 -0.58 1.36 0.08 -2.12 0.00 0.00 175.29 174.04 2jkl s VAL 56 N 2.20 2.10 0.07 1.09 1.01 -1.26 -1.29 120.40 124.32 2jkl s VAL 56 Ca 0.15 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 2jkl s VAL 56 Cb -0.16 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.21 2jkl s VAL 56 CO 0.12 -0.00 0.36 0.00 0.00 0.00 0.00 175.10 175.58 2jkl s ALA 57 N -1.30 -0.83 -0.05 5.51 0.00 0.08 -1.23 121.76 123.94 2jkl s ALA 57 Ca 0.71 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2jkl s ALA 57 Cb -0.40 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2jkl s ALA 57 CO 0.48 -0.50 -0.12 -0.51 0.00 0.00 0.00 175.76 175.10 2jkl s LEU 58 N -2.32 1.72 -0.12 0.00 2.01 -0.32 -0.94 118.68 118.70 2jkl s LEU 58 Ca -0.02 -0.28 0.01 0.00 0.01 0.00 0.00 54.13 53.85 2jkl s LEU 58 Cb 0.00 -0.78 -0.01 0.00 0.01 0.00 0.00 46.19 45.41 2jkl s LEU 58 CO -0.06 0.06 -0.17 -0.75 1.01 0.00 0.00 176.35 176.44 2jkl s LYS 59 N 0.43 3.26 0.39 1.70 2.20 -0.00 -0.59 119.74 127.14 2jkl s LYS 59 Ca -0.10 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 54.55 2jkl s LYS 59 Cb -0.13 -2.53 -0.10 0.00 -1.51 0.00 0.00 37.83 33.55 2jkl s LYS 59 CO 0.03 0.18 0.91 0.00 -0.36 0.00 0.00 175.35 176.11 2jkl s ALA 60 N 0.40 3.12 0.68 3.13 0.00 -0.36 -0.62 121.76 128.10 2jkl s ALA 60 Ca -0.13 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2jkl s ALA 60 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2jkl s ALA 60 CO 0.06 0.17 1.08 -0.25 0.00 0.00 0.00 175.76 176.82 2jkl n ASP 61 N -0.41 1.06 -0.34 0.00 9.92 -0.69 -4.85 116.55 121.23 2jkl n ASP 61 Ca 0.06 0.74 0.17 0.00 -0.53 0.00 0.00 54.79 55.22 2jkl n ASP 61 Cb 0.53 -1.46 0.38 0.00 -0.64 0.00 0.00 41.12 39.94 2jkl n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jkl h THR 62 N 0.09 0.61 0.00 -3.53 2.02 -1.93 0.22 112.91 110.38 2jkl h THR 62 Ca -0.49 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2jkl h THR 62 Cb 1.34 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2jkl h THR 62 CO 0.49 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.97 2jkl n ASP 63 N -4.79 0.00 -0.75 4.18 8.00 -1.26 -3.47 116.55 118.46 2jkl n ASP 63 Ca 0.25 -0.53 0.07 0.00 0.71 0.00 0.00 54.79 55.28 2jkl n ASP 63 Cb 0.70 -0.10 0.17 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.10 3.01 -3.70 -2.24 5.03 0.06 -4.75 115.26 111.58 2jkl n ASN 64 Ca 0.16 -1.96 -0.11 0.00 0.87 0.00 0.00 54.58 53.55 2jkl n ASN 64 Cb 0.12 -0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 38.57 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 -1.01 -0.13 -0.30 3.10 -0.12 -1.23 -1.27 117.98 117.03 2jkl s PHE 65 Ca 0.27 -0.13 -0.19 0.00 -0.05 0.00 0.00 56.93 56.83 2jkl s PHE 65 Cb 0.14 0.17 0.19 0.00 -0.63 0.00 0.00 43.02 42.89 2jkl s PHE 65 CO 0.19 -0.62 1.25 -2.00 -0.05 0.00 0.00 175.22 174.00 2jkl s GLU 66 N -3.38 0.13 -1.16 1.99 2.12 -0.67 -4.98 118.70 112.75 2jkl s GLU 66 Ca 0.01 0.20 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 2jkl s GLU 66 Cb 0.02 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 2jkl s GLU 66 CO -0.09 -0.02 0.79 0.94 -0.54 0.00 0.00 175.26 176.34 2jkl n GLN 67 N 2.70 -1.96 -0.68 4.30 7.27 -1.26 -1.72 117.38 126.04 2jkl n GLN 67 Ca -0.15 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.47 2jkl n GLN 67 Cb 0.57 -4.58 0.00 0.00 2.41 0.00 0.00 30.24 28.63 2jkl n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jkl n GLY 68 N -1.60 0.03 3.59 1.69 0.00 -1.26 -4.95 105.19 102.70 2jkl n GLY 68 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.29 2.55 0.07 1.61 1.02 -0.70 -4.98 119.74 118.02 2jkl s LYS 69 Ca 0.00 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.30 2jkl s LYS 69 Cb 0.00 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2jkl s LYS 69 CO 0.00 0.60 0.03 -0.06 -0.92 0.00 0.00 175.35 175.01 2jkl s PHE 70 N -0.99 3.09 -0.05 3.18 0.40 -1.26 -1.67 117.98 120.68 2jkl s PHE 70 Ca 0.17 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.28 2jkl s PHE 70 Cb -0.11 -1.60 0.06 0.00 0.51 0.00 0.00 43.02 41.88 2jkl s PHE 70 CO 0.07 0.50 0.58 -0.59 0.70 0.00 0.00 175.22 176.48 2jkl s PHE 71 N -1.29 -0.54 0.54 0.36 -0.12 -0.39 -1.74 117.98 114.79 2jkl s PHE 71 Ca 0.26 0.95 -0.17 0.00 -0.05 0.00 0.00 56.93 57.92 2jkl s PHE 71 Cb -0.12 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.53 2jkl s PHE 71 CO 0.18 -0.54 1.02 -0.51 -0.05 0.00 0.00 175.22 175.32 2jkl s LEU 72 N -1.13 3.61 0.00 -1.99 1.02 0.46 -4.54 118.68 116.10 2jkl s LEU 72 Ca -0.11 1.71 0.06 0.00 0.02 0.00 0.00 54.13 55.81 2jkl s LEU 72 Cb -0.02 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 2jkl s LEU 72 CO 0.08 -0.83 -0.18 -0.51 0.02 0.00 0.00 176.35 174.93 2jkl s ILE 73 N -2.47 1.41 0.84 -0.59 1.10 -0.30 -1.41 121.20 119.77 2jkl s ILE 73 Ca 0.62 -0.86 -0.10 0.00 -0.51 0.00 0.00 60.65 59.79 2jkl s ILE 73 Cb -0.13 -1.19 0.10 0.00 0.15 0.00 0.00 42.46 41.39 2jkl s ILE 73 CO 0.32 0.31 1.11 -0.94 -2.11 0.00 0.00 174.94 173.63 2jkl s SER 74 N -0.64 3.82 0.39 4.50 1.04 -0.24 -1.35 113.70 121.22 2jkl s SER 74 Ca 0.06 1.94 0.13 0.00 0.48 0.00 0.00 55.95 58.56 2jkl s SER 74 Cb -0.07 -2.52 0.94 0.00 0.10 0.00 0.00 66.02 64.46 2jkl s SER 74 CO 0.00 -2.49 1.88 0.44 0.98 0.00 0.00 173.24 174.05 2jkl h ASP 75 N -1.45 0.52 -0.15 7.02 3.32 -1.53 0.65 116.42 124.81 2jkl h ASP 75 Ca -0.44 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2jkl h ASP 75 Cb 1.25 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2jkl h ASP 75 CO 0.48 0.26 0.00 -0.46 -1.72 0.00 0.00 179.24 177.80 2jkl n ASN 76 N -4.53 1.03 0.00 6.45 6.94 -1.26 -4.90 115.26 119.00 2jkl n ASN 76 Ca 0.17 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 2jkl n ASN 76 Cb 0.52 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.03 -2.32 -0.04 0.53 5.15 0.22 -4.89 115.26 113.88 2jkl n ASN 77 Ca 0.12 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.88 2jkl n ASN 77 Cb 0.20 -1.51 -0.13 0.00 -0.53 0.00 0.00 39.78 37.81 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 -1.57 0.68 -3.90 1.20 0.63 -1.26 -4.86 116.66 107.58 2jkl n ARG 78 Ca 0.00 0.37 -0.36 0.00 -0.92 0.00 0.00 57.85 56.94 2jkl n ARG 78 Cb 0.12 -1.71 -0.07 0.00 0.45 0.00 0.00 32.46 31.25 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 -6.98 6.17 0.02 6.15 1.01 -1.26 -4.96 116.67 116.82 2jkl s ASP 79 Ca -0.26 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.37 2jkl s ASP 79 Cb 0.07 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 2jkl s ASP 79 CO 0.69 0.32 0.01 -0.54 0.21 0.00 0.00 175.17 175.86 2jkl s LYS 80 N -0.51 2.74 -0.34 8.23 1.02 -1.26 -1.08 119.74 128.54 2jkl s LYS 80 Ca 0.12 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.46 2jkl s LYS 80 Cb -0.12 -2.64 0.10 0.00 -0.52 0.00 0.00 37.83 34.65 2jkl s LYS 80 CO 0.02 0.60 0.09 -1.17 -0.92 0.00 0.00 175.35 173.98 2jkl s LEU 81 N -1.77 3.28 0.31 3.17 2.96 -0.50 -4.96 118.68 121.17 2jkl s LEU 81 Ca 0.21 -1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 51.89 2jkl s LEU 81 Cb -0.12 -1.19 -0.10 0.00 0.50 0.00 0.00 46.19 45.29 2jkl s LEU 81 CO 0.13 -0.39 1.34 -0.31 -1.32 0.00 0.00 176.35 175.80 2jkl s TYR 82 N 1.21 3.02 0.09 5.38 1.51 -1.26 -0.41 117.35 126.89 2jkl s TYR 82 Ca 0.11 1.31 -0.01 0.00 -1.01 0.00 0.00 57.07 57.48 2jkl s TYR 82 Cb -0.19 -3.73 -0.04 0.00 -0.11 0.00 0.00 41.96 37.90 2jkl s TYR 82 CO -0.16 -2.09 0.00 0.14 -1.11 0.00 0.00 175.55 172.33 2jkl s VAL 83 N -0.86 0.24 -0.02 0.71 -7.23 -0.71 -1.25 120.40 111.28 2jkl s VAL 83 Ca 0.52 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2jkl s VAL 83 Cb -0.40 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2jkl s VAL 83 CO 0.51 -0.74 -0.05 0.20 -0.31 0.00 0.00 175.10 174.71 2jkl s ASN 84 N -3.00 4.77 -0.19 4.85 0.01 0.65 -4.32 114.94 117.71 2jkl s ASN 84 Ca 0.15 -0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.23 2jkl s ASN 84 Cb 0.07 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.56 2jkl s ASN 84 CO -0.04 0.31 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.11 2jkl s ILE 85 N -0.95 2.78 -0.09 0.60 1.01 -1.26 -1.42 121.20 121.87 2jkl s ILE 85 Ca 0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 2jkl s ILE 85 Cb -0.11 -2.22 0.04 0.00 0.01 0.00 0.00 42.46 40.18 2jkl s ILE 85 CO 0.06 0.49 0.21 -0.60 0.00 0.00 0.00 174.94 175.09 2jkl s ARG 86 N 1.23 0.17 0.45 2.79 3.52 -0.57 -4.97 118.95 121.55 2jkl s ARG 86 Ca 0.02 0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 55.84 2jkl s ARG 86 Cb -0.14 -0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.05 2jkl s ARG 86 CO -0.05 -0.15 1.22 -1.25 -0.81 0.00 0.00 175.30 174.26 2jkl s PRO 87 N 1.14 3.77 0.47 5.12 0.04 -1.26 -0.06 135.00 144.22 2jkl s PRO 87 Ca -0.09 1.94 0.27 0.00 0.04 0.00 0.00 61.00 63.16 2jkl s PRO 87 Cb -0.10 -2.51 1.03 0.00 0.04 0.00 0.00 34.50 32.95 2jkl s PRO 87 CO -0.07 -0.59 1.86 1.79 0.04 0.00 0.00 177.00 180.04 2jkl h THR 88 N 2.03 0.36 -2.93 1.26 1.35 -1.49 -3.45 112.91 110.04 2jkl h THR 88 Ca -0.49 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2jkl h THR 88 Cb 1.25 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 2jkl h THR 88 CO 0.61 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.12 2jkl n ASP 89 N -3.29 0.00 -1.48 5.36 3.85 -1.26 -4.99 116.55 114.73 2jkl n ASP 89 Ca 0.00 -0.97 0.00 0.00 -0.71 0.00 0.00 54.79 53.12 2jkl n ASP 89 Cb 0.40 0.00 0.23 0.00 -1.35 0.00 0.00 41.12 40.40 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 -2.91 3.95 -4.79 -1.12 3.02 -1.26 -4.97 115.26 107.18 2jkl n ASN 90 Ca 0.00 -2.69 -0.36 0.00 -0.03 0.00 0.00 54.58 51.50 2jkl n ASN 90 Cb 0.00 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.50 6.75 -0.14 6.41 1.04 -1.26 -5.03 113.70 120.97 2jkl s SER 91 Ca 0.36 2.00 -0.15 0.00 0.48 0.00 0.00 55.95 58.63 2jkl s SER 91 Cb 0.28 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2jkl s SER 91 CO 0.10 -0.50 0.36 0.00 0.98 0.00 0.00 173.24 174.18 2jkl s ALA 92 N -1.71 3.55 0.23 5.32 0.00 -1.26 -4.86 121.76 123.03 2jkl s ALA 92 Ca 0.59 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.24 2jkl s ALA 92 Cb -0.21 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2jkl s ALA 92 CO 0.26 0.07 -0.02 -1.58 0.00 0.00 0.00 175.76 174.48 2jkl s TRP 93 N 0.48 1.60 0.04 0.00 0.52 -1.26 -0.93 118.94 119.40 2jkl s TRP 93 Ca 0.20 -0.87 0.04 0.00 0.02 0.00 0.00 56.10 55.50 2jkl s TRP 93 Cb -0.14 -0.92 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 2jkl s TRP 93 CO 0.06 0.03 -0.13 0.99 0.02 0.00 0.00 176.95 177.92 2jkl s THR 94 N -3.34 1.03 -0.17 2.01 2.01 0.15 -4.86 115.64 112.47 2jkl s THR 94 Ca 0.27 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2jkl s THR 94 Cb 0.05 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2jkl s THR 94 CO 0.08 -0.05 0.02 -0.89 -0.69 0.00 0.00 174.62 173.09 2jkl s THR 95 N -0.91 4.36 -0.30 -0.82 2.01 -1.26 -0.61 115.64 118.11 2jkl s THR 95 Ca 0.00 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 2jkl s THR 95 Cb -0.08 -2.94 0.12 0.00 0.01 0.00 0.00 72.50 69.60 2jkl s THR 95 CO 0.01 0.47 0.20 -0.62 -0.69 0.00 0.00 174.62 173.99 2jkl s ASP 96 N 0.41 2.83 -1.15 3.53 3.68 0.88 -4.98 116.67 121.87 2jkl s ASP 96 Ca -0.00 -1.21 -0.24 0.00 2.13 0.00 0.00 52.55 53.23 2jkl s ASP 96 Cb -0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 42.92 41.29 2jkl s ASP 96 CO 0.02 -0.41 0.78 -3.20 0.13 0.00 0.00 175.17 172.48 2jkl n ASN 97 N 5.13 -5.11 0.00 -0.34 5.15 -1.26 -1.85 115.26 116.99 2jkl n ASN 97 Ca -0.03 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 2jkl n ASN 97 Cb 0.43 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 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 -1.76 1.69 3.59 8.20 0.00 -1.26 -5.01 105.19 110.64 2jkl n GLY 98 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.71 4.45 -0.33 1.61 1.01 -0.77 -1.22 120.40 122.43 2jkl s VAL 99 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2jkl s VAL 99 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.47 2jkl s VAL 99 CO 0.00 0.49 0.06 0.12 0.00 0.00 0.00 175.10 175.77 2jkl s PHE 100 N 0.25 3.36 0.13 5.22 5.36 0.24 -0.08 117.98 132.45 2jkl s PHE 100 Ca 0.01 -1.99 0.11 0.00 -0.96 0.00 0.00 56.93 54.10 2jkl s PHE 100 Cb -0.13 -2.43 -0.04 0.00 -0.34 0.00 0.00 43.02 40.08 2jkl s PHE 100 CO 0.01 -0.84 -0.26 1.52 -1.46 0.00 0.00 175.22 174.19 2jkl s TYR 101 N 1.23 2.22 0.23 10.12 1.13 0.22 -1.17 117.35 131.34 2jkl s TYR 101 Ca -0.01 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 2jkl s TYR 101 Cb -0.20 -1.20 -0.09 0.00 -1.10 0.00 0.00 41.96 39.36 2jkl s TYR 101 CO -0.02 0.32 1.06 0.21 -2.51 0.00 0.00 175.55 174.61 2jkl s LYS 102 N -2.05 4.68 0.45 -3.49 2.20 -0.36 0.30 119.74 121.47 2jkl s LYS 102 Ca 0.13 1.69 0.30 0.00 -0.36 0.00 0.00 55.97 57.73 2jkl s LYS 102 Cb -0.10 -3.24 1.25 0.00 -1.51 0.00 0.00 37.83 34.23 2jkl s LYS 102 CO 0.06 0.25 1.90 -0.91 -0.36 0.00 0.00 175.35 176.28 2jkl h ASN 103 N 4.33 0.00 -3.14 1.43 2.35 -1.36 -3.43 115.58 115.75 2jkl h ASN 103 Ca -0.45 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 54.66 2jkl h ASN 103 Cb 1.21 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.42 2jkl h ASN 103 CO 0.69 0.00 -0.76 -0.62 -1.65 0.00 0.00 177.43 175.09 2jkl s ASP 104 N -5.16 4.03 0.78 5.81 3.68 -1.26 -5.08 116.67 119.46 2jkl s ASP 104 Ca 0.02 -0.64 -0.12 0.00 2.13 0.00 0.00 52.55 53.95 2jkl s ASP 104 Cb 0.09 -0.60 0.06 0.00 -1.45 0.00 0.00 42.92 41.02 2jkl s ASP 104 CO 0.49 0.12 1.12 0.68 0.13 0.00 0.00 175.17 177.71 2jkl s VAL 105 N -1.62 2.81 0.00 1.11 -7.23 -1.26 -4.44 120.40 109.77 2jkl s VAL 105 Ca 0.23 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2jkl s VAL 105 Cb -0.09 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2jkl s VAL 105 CO 0.13 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 2jkl n GLY 106 N -2.78 4.10 3.26 2.32 0.00 -0.07 -4.92 105.19 107.10 2jkl n GLY 106 Ca 0.07 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 4.74 -4.77 1.61 7.64 -1.21 -4.45 113.62 117.18 2jkl n SER 107 Ca 0.00 -2.93 -0.40 0.00 1.01 0.00 0.00 58.87 56.55 2jkl n SER 107 Cb 0.00 -1.66 -0.03 0.00 -1.01 0.00 0.00 64.21 61.51 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 3.00 3.18 -0.05 1.43 -0.00 -1.26 -4.66 118.94 120.58 2jkl s TRP 108 Ca 0.48 1.53 0.04 0.00 -0.00 0.00 0.00 56.10 58.15 2jkl s TRP 108 Cb 0.06 -3.50 0.00 0.00 -0.00 0.00 0.00 33.47 30.03 2jkl s TRP 108 CO 0.01 -1.38 -0.16 0.20 -0.00 0.00 0.00 176.95 175.62 2jkl s GLY 109 N -0.78 0.91 -0.05 5.86 0.00 -1.26 -1.30 107.32 110.69 2jkl s GLY 109 Ca 0.50 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 2jkl s GLY 109 CO 0.46 -0.26 0.77 0.61 0.00 0.00 0.00 173.10 174.68 2jkl n GLY 110 N 3.29 0.22 3.36 0.20 0.00 0.06 -5.01 105.19 107.32 2jkl n GLY 110 Ca -0.19 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.01 2.81 -0.22 -0.61 -1.09 -1.26 -0.77 121.20 118.05 2jkl s ILE 111 Ca 0.18 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.78 2jkl s ILE 111 Cb -0.00 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 2jkl s ILE 111 CO -0.02 0.55 0.02 -0.63 -1.23 0.00 0.00 174.94 173.63 2jkl s ILE 112 N 0.06 4.01 0.03 2.92 -1.09 0.19 -1.10 121.20 126.22 2jkl s ILE 112 Ca -0.06 -0.29 -0.13 0.00 -2.23 0.00 0.00 60.65 57.94 2jkl s ILE 112 Cb -0.15 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.84 2jkl s ILE 112 CO 0.05 0.40 0.40 -0.83 -1.23 0.00 0.00 174.94 173.74 2jkl s GLY 113 N 1.22 2.43 -0.25 6.18 0.00 0.91 -0.45 107.32 117.37 2jkl s GLY 113 Ca 0.04 -0.28 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 2jkl s GLY 113 CO 0.02 0.03 0.01 -0.42 0.00 0.00 0.00 173.10 172.74 2jkl s ILE 114 N -1.20 3.74 0.10 0.90 -1.09 -0.95 -1.52 121.20 121.19 2jkl s ILE 114 Ca 0.27 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 2jkl s ILE 114 Cb -0.16 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2jkl s ILE 114 CO 0.15 0.32 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.65 2jkl s TYR 115 N 1.52 1.87 0.22 3.97 2.02 -0.51 -0.48 117.35 125.96 2jkl s TYR 115 Ca 0.05 -0.41 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 2jkl s TYR 115 Cb -0.15 -1.03 -0.10 0.00 -0.40 0.00 0.00 41.96 40.28 2jkl s TYR 115 CO -0.00 0.22 1.52 0.08 -1.57 0.00 0.00 175.55 175.80 2jkl s VAL 116 N -1.13 2.54 -0.49 0.71 1.01 0.26 -0.25 120.40 123.05 2jkl s VAL 116 Ca 0.08 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 2jkl s VAL 116 Cb -0.10 -3.27 0.12 0.00 0.00 0.00 0.00 36.38 33.13 2jkl s VAL 116 CO 0.04 0.05 0.35 -0.62 0.00 0.00 0.00 175.10 174.93 2jkl s ASP 117 N 0.71 5.68 0.00 3.32 2.15 -0.38 -0.49 116.67 127.66 2jkl s ASP 117 Ca 0.64 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.63 2jkl s ASP 117 Cb -0.44 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2jkl s ASP 117 CO 0.39 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2jkl n GLY 118 N 4.79 -0.97 3.72 2.66 0.00 -1.26 -4.69 105.19 109.43 2jkl n GLY 118 Ca -0.06 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2jkl n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jkl s GLN 119 N -4.17 4.17 -0.30 1.61 0.74 -1.26 -4.25 119.66 116.20 2jkl s GLN 119 Ca 0.00 2.49 0.20 0.00 0.05 0.00 0.00 55.36 58.10 2jkl s GLN 119 Cb 0.00 -3.15 0.48 0.00 1.10 0.00 0.00 33.01 31.43 2jkl s GLN 119 CO 0.00 -0.69 1.04 1.04 -0.55 0.00 0.00 175.29 176.13 2jkl n GLN 120 N 4.12 1.39 0.00 1.67 6.02 -0.67 -4.91 117.38 125.00 2jkl n GLN 120 Ca 0.15 -3.26 0.07 0.00 -0.01 0.00 0.00 57.00 53.95 2jkl n GLN 120 Cb 0.37 -1.31 0.40 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.34 0.00 0.29 5.09 -2.24 -1.24 -2.07 114.28 113.78 2jkl n THR 121 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 2jkl n THR 121 Cb 0.81 -0.57 0.15 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.86 2.97 -4.65 3.42 3.02 -1.26 -4.38 115.26 113.51 2jkl n ASN 122 Ca 0.10 -1.87 -0.47 0.00 -0.03 0.00 0.00 54.58 52.32 2jkl n ASN 122 Cb 0.05 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.09 0.30 -2.10 3.41 -1.04 -0.88 -4.91 114.28 110.14 2jkl n THR 123 Ca 0.14 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.68 2jkl n THR 123 Cb 0.49 -1.37 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.43 4.27 0.41 -2.82 0.02 -1.26 -4.84 135.00 131.21 2jkl s PRO 124 Ca 0.77 2.20 -0.27 0.00 0.02 0.00 0.00 61.00 63.72 2jkl s PRO 124 Cb -0.72 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 30.70 2jkl s PRO 124 CO 0.43 -0.26 1.43 -2.30 -0.33 0.00 0.00 177.00 175.98 2jkl n PRO 125 N 0.64 2.40 -3.71 5.54 -0.02 -1.26 -4.85 135.00 133.74 2jkl n PRO 125 Ca 0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jkl n PRO 125 Cb 0.42 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2jkl n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jkl n GLY 126 N 0.55 -1.95 3.53 -1.23 0.00 -0.70 -4.96 105.19 100.44 2jkl n GLY 126 Ca 0.04 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.75 5.42 0.05 1.61 0.01 -1.26 -0.78 114.94 118.23 2jkl s ASN 127 Ca 0.00 -0.07 0.07 0.00 -0.71 0.00 0.00 52.86 52.14 2jkl s ASN 127 Cb 0.00 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.67 2jkl s ASN 127 CO 0.00 0.04 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.15 2jkl s TYR 128 N 1.16 2.58 0.01 2.20 2.02 0.80 -1.23 117.35 124.88 2jkl s TYR 128 Ca 0.05 -0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 2jkl s TYR 128 Cb -0.14 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2jkl s TYR 128 CO 0.04 0.27 -0.00 0.99 -1.57 0.00 0.00 175.55 175.27 2jkl s THR 129 N -0.95 0.07 -0.08 -0.71 2.01 -0.46 -0.84 115.64 114.67 2jkl s THR 129 Ca 0.15 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.62 2jkl s THR 129 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.25 2jkl s THR 129 CO 0.06 -0.30 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.39 2jkl s LEU 130 N -0.88 1.30 -0.15 4.42 2.96 0.12 -1.15 118.68 125.31 2jkl s LEU 130 Ca -0.10 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2jkl s LEU 130 Cb -0.06 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 2jkl s LEU 130 CO -0.00 -0.07 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.95 2jkl s THR 131 N 1.26 3.03 -0.10 3.68 2.01 -1.26 -0.39 115.64 123.87 2jkl s THR 131 Ca -0.04 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2jkl s THR 131 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.09 2jkl s THR 131 CO -0.03 0.51 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.48 2jkl s LEU 132 N 0.61 1.81 -0.12 4.42 1.43 -0.31 -1.71 118.68 124.81 2jkl s LEU 132 Ca -0.07 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2jkl s LEU 132 Cb -0.15 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2jkl s LEU 132 CO 0.03 0.05 -0.01 -0.89 0.23 0.00 0.00 176.35 175.76 2jkl s THR 133 N 0.80 4.18 0.40 5.49 2.01 0.20 -0.97 115.64 127.76 2jkl s THR 133 Ca -0.10 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.40 2jkl s THR 133 Cb -0.16 -2.80 -0.11 0.00 0.01 0.00 0.00 72.50 69.45 2jkl s THR 133 CO 0.01 0.55 0.96 -0.83 -0.69 0.00 0.00 174.62 174.61 2jkl s GLY 134 N -0.26 2.52 0.00 4.40 0.00 -0.38 -0.82 107.32 112.77 2jkl s GLY 134 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2jkl s GLY 134 CO 0.02 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.51 2jkl n GLY 135 N -0.27 -0.64 3.09 0.20 0.00 -0.12 -1.55 105.19 105.90 2jkl n GLY 135 Ca 0.06 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.33 0.38 -0.18 1.61 1.13 -0.72 -0.74 117.35 115.50 2jkl s TYR 136 Ca 0.00 -0.82 -0.15 0.00 -1.41 0.00 0.00 57.07 54.69 2jkl s TYR 136 Cb 0.00 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 2jkl s TYR 136 CO 0.00 -0.36 0.36 -0.46 -2.51 0.00 0.00 175.55 172.58 2jkl s TRP 137 N -3.25 3.41 0.00 -3.49 -0.11 -0.41 -0.70 118.94 114.39 2jkl s TRP 137 Ca 0.01 0.61 0.00 0.00 1.22 0.00 0.00 56.10 57.94 2jkl s TRP 137 Cb 0.03 -2.46 0.00 0.00 -1.50 0.00 0.00 33.47 29.54 2jkl s TRP 137 CO -0.08 0.08 0.07 0.00 -4.62 0.00 0.00 176.95 172.41