#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 0.09 -0.18 1.61 0.15 -0.63 -5.00 113.70 109.74 2jkl s SER 1 Ca 0.00 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 2jkl s SER 1 Cb 0.00 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 2jkl s SER 1 CO 0.00 -0.16 0.13 0.12 1.20 0.00 0.00 173.24 174.53 2jkl s PHE 2 N 1.34 3.46 -0.31 3.44 2.19 -1.26 -2.20 117.98 124.63 2jkl s PHE 2 Ca -0.07 0.38 -0.05 0.00 0.33 0.00 0.00 56.93 57.52 2jkl s PHE 2 Cb -0.12 -2.10 0.04 0.00 -1.31 0.00 0.00 43.02 39.53 2jkl s PHE 2 CO -0.05 0.41 0.06 0.99 1.83 0.00 0.00 175.22 178.46 2jkl s THR 3 N -0.03 3.53 0.11 0.12 2.01 0.24 -4.98 115.64 116.64 2jkl s THR 3 Ca 0.10 -1.12 -0.31 0.00 0.31 0.00 0.00 61.69 60.67 2jkl s THR 3 Cb -0.11 -2.96 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 2jkl s THR 3 CO -0.00 -0.09 1.84 -2.84 -0.69 0.00 0.00 174.62 172.84 2jkl s PRO 4 N 1.37 4.14 -0.43 4.92 0.02 -1.26 -1.82 135.00 141.95 2jkl s PRO 4 Ca -0.02 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.61 2jkl s PRO 4 Cb -0.19 -3.66 0.19 0.00 0.02 0.00 0.00 34.50 30.86 2jkl s PRO 4 CO 0.01 -0.85 0.82 0.45 -0.33 0.00 0.00 177.00 177.10 2jkl s SER 5 N 2.91 -1.09 0.00 2.53 0.15 -0.47 -4.93 113.70 112.80 2jkl s SER 5 Ca 0.82 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2jkl s SER 5 Cb -0.45 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2jkl s SER 5 CO 0.37 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2jkl n GLY 6 N 3.35 -0.97 4.03 9.45 0.00 -1.11 -3.51 105.19 116.43 2jkl n GLY 6 Ca 0.13 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.93 2.27 -0.09 2.61 -4.23 -1.26 -4.63 115.64 107.37 2jkl s THR 7 Ca 0.00 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2jkl s THR 7 Cb 0.00 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2jkl s THR 7 CO 0.00 0.00 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.03 2jkl s THR 8 N -2.62 2.87 -0.09 3.99 2.01 -1.26 -1.35 115.64 119.19 2jkl s THR 8 Ca 0.60 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2jkl s THR 8 Cb -0.06 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2jkl s THR 8 CO 0.38 0.56 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.95 2jkl s GLY 9 N -0.11 1.66 -0.17 4.40 0.00 -0.12 -4.98 107.32 108.00 2jkl s GLY 9 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2jkl s GLY 9 CO 0.04 -0.50 -0.20 -1.59 0.00 0.00 0.00 173.10 170.84 2jkl s THR 10 N -0.42 2.05 -0.29 0.90 2.01 -1.26 -1.29 115.64 117.33 2jkl s THR 10 Ca 0.06 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 2jkl s THR 10 Cb -0.12 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2jkl s THR 10 CO 0.02 0.54 0.21 -0.89 -0.69 0.00 0.00 174.62 173.82 2jkl s THR 11 N 1.14 5.29 0.06 -0.82 2.01 0.50 -4.96 115.64 118.87 2jkl s THR 11 Ca 0.01 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2jkl s THR 11 Cb -0.14 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2jkl s THR 11 CO -0.09 0.21 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.29 2jkl s LYS 12 N 1.79 1.86 -0.16 4.92 1.02 -1.26 -0.78 119.74 127.14 2jkl s LYS 12 Ca 0.08 -1.10 -0.08 0.00 0.02 0.00 0.00 55.97 54.89 2jkl s LYS 12 Cb -0.16 -2.08 0.06 0.00 -0.52 0.00 0.00 37.83 35.13 2jkl s LYS 12 CO 0.11 0.51 0.37 -1.17 -0.92 0.00 0.00 175.35 174.25 2jkl s LEU 13 N -1.56 -0.00 -0.24 3.17 2.96 -0.15 -4.65 118.68 118.22 2jkl s LEU 13 Ca 0.14 0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 54.77 2jkl s LEU 13 Cb -0.10 1.19 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 2jkl s LEU 13 CO 0.05 -0.19 0.12 -0.89 -1.32 0.00 0.00 176.35 174.12 2jkl s THR 14 N 1.44 4.95 -0.12 3.68 2.01 -0.53 -0.21 115.64 126.85 2jkl s THR 14 Ca -0.09 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 2jkl s THR 14 Cb -0.09 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2jkl s THR 14 CO -0.12 0.35 0.21 -0.69 -0.69 0.00 0.00 174.62 173.68 2jkl s VAL 15 N 1.22 5.37 0.38 3.82 1.01 0.18 -1.27 120.40 131.11 2jkl s VAL 15 Ca 0.06 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2jkl s VAL 15 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2jkl s VAL 15 CO 0.05 0.54 0.21 0.42 0.00 0.00 0.00 175.10 176.32 2jkl s THR 16 N -0.52 0.27 0.42 3.92 -4.23 -0.43 -1.69 115.64 113.38 2jkl s THR 16 Ca 0.15 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 2jkl s THR 16 Cb -0.13 -2.39 0.09 0.00 1.34 0.00 0.00 72.50 71.41 2jkl s THR 16 CO 0.04 0.00 0.58 -0.62 -0.54 0.00 0.00 174.62 174.08 2jkl n GLU 17 N -0.80 0.06 -0.24 3.99 1.02 -1.26 -0.76 120.64 122.65 2jkl n GLU 17 Ca 0.00 -1.43 -0.04 0.00 -0.02 0.00 0.00 57.16 55.68 2jkl n GLU 17 Cb 0.63 -0.43 0.07 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.80 -6.35 3.49 3.64 -1.98 -3.34 116.57 112.84 2jkl h LYS 18 Ca -0.19 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.56 2jkl h LYS 18 Cb 0.67 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 2jkl h LYS 18 CO 0.19 0.53 0.77 0.00 -2.27 0.00 0.00 179.45 178.67 2jkl s GLN 20 N 4.29 3.10 -0.37 0.00 0.74 -1.25 -5.05 119.66 121.11 2jkl s GLN 20 Ca 0.40 -0.81 -0.02 0.00 0.05 0.00 0.00 55.36 54.98 2jkl s GLN 20 Cb -0.09 -2.54 0.09 0.00 1.10 0.00 0.00 33.01 31.57 2jkl s GLN 20 CO 0.26 -0.03 0.13 0.08 -0.55 0.00 0.00 175.29 175.18 2jkl s VAL 21 N 0.89 3.15 -0.31 1.34 1.01 -1.26 -5.07 120.40 120.15 2jkl s VAL 21 Ca -0.05 -1.86 -0.24 0.00 0.00 0.00 0.00 61.98 59.83 2jkl s VAL 21 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2jkl s VAL 21 CO -0.03 -0.51 0.82 -0.13 0.00 0.00 0.00 175.10 175.25 2jkl s ARG 22 N 1.16 3.97 -0.17 2.72 0.52 -1.26 -5.03 118.95 120.86 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 -0.22 -3.73 -0.02 0.00 0.52 0.00 0.00 34.95 31.51 2jkl s ARG 22 CO -0.03 -0.70 -0.07 0.08 0.02 0.00 0.00 175.30 174.59 2jkl s VAL 23 N 3.03 3.42 0.00 3.52 1.01 -1.26 -5.02 120.40 125.10 2jkl s VAL 23 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2jkl s VAL 23 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2jkl s VAL 23 CO 0.13 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2jkl n GLY 24 N 3.99 -1.38 3.74 4.51 0.00 -1.26 -4.93 105.19 109.85 2jkl n GLY 24 Ca -0.18 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 2jkl n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkl s ASP 25 N -4.00 4.76 0.29 1.61 -0.00 -1.26 -4.92 116.67 113.15 2jkl s ASP 25 Ca 0.00 2.60 -0.30 0.00 -0.00 0.00 0.00 52.55 54.85 2jkl s ASP 25 Cb 0.00 -2.62 -0.12 0.00 -0.00 0.00 0.00 42.92 40.18 2jkl s ASP 25 CO 0.00 -1.90 1.46 -0.11 -0.00 0.00 0.00 175.17 174.62 2jkl n LEU 26 N -1.77 3.80 -4.11 1.23 7.94 -1.26 -5.01 117.00 117.82 2jkl n LEU 26 Ca 0.15 1.17 -0.10 0.00 -1.11 0.00 0.00 56.01 56.11 2jkl n LEU 26 Cb 0.48 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 2jkl n LEU 26 CO 0.47 -0.20 -0.14 0.42 -1.11 0.00 0.00 177.39 176.83 2jkl s THR 27 N -0.36 0.04 -0.20 1.96 -4.23 -1.26 -5.11 115.64 106.48 2jkl s THR 27 Ca 0.63 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 2jkl s THR 27 Cb -0.56 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2jkl s THR 27 CO 0.53 -0.17 1.36 -0.69 -0.54 0.00 0.00 174.62 175.11 2jkl s VAL 28 N -4.07 4.09 -0.00 2.29 1.01 -1.26 -4.99 120.40 117.47 2jkl s VAL 28 Ca 0.28 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.53 2jkl s VAL 28 Cb 0.05 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 2jkl s VAL 28 CO 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 175.10 174.95 2jkl s ALA 29 N 4.02 -0.05 0.01 5.51 0.00 -1.26 -1.46 121.76 128.54 2jkl s ALA 29 Ca 0.59 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 2jkl s ALA 29 Cb -0.22 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2jkl s ALA 29 CO 0.20 -0.09 0.08 0.15 0.00 0.00 0.00 175.76 176.11 2jkl s LYS 30 N -0.63 0.44 0.57 0.00 1.02 -0.40 -4.95 119.74 115.80 2jkl s LYS 30 Ca -0.07 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2jkl s LYS 30 Cb -0.04 0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 2jkl s LYS 30 CO -0.00 -0.10 1.02 0.95 -0.92 0.00 0.00 175.35 176.30 2jkl s THR 31 N -1.54 4.38 0.48 2.17 -4.23 -1.26 -1.31 115.64 114.32 2jkl s THR 31 Ca -0.14 1.03 0.27 0.00 -1.18 0.00 0.00 61.69 61.67 2jkl s THR 31 Cb -0.08 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.42 2jkl s THR 31 CO 0.00 -0.76 2.13 0.08 -0.54 0.00 0.00 174.62 175.54 2jkl h ARG 32 N 0.43 0.00 0.00 3.99 0.11 -1.23 -0.88 114.38 116.80 2jkl h ARG 32 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2jkl h ARG 32 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2jkl h ARG 32 CO 0.60 0.08 -0.03 0.78 0.10 0.00 0.00 179.97 181.50 2jkl h GLY 33 N 0.52 0.00 0.93 0.08 0.00 -1.85 -1.85 103.07 100.91 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 -0.19 -1.06 0.00 0.00 0.00 176.54 175.30 2jkl n GLN 34 N -3.23 0.51 -1.34 4.80 6.02 -0.34 -4.40 117.38 119.41 2jkl n GLN 34 Ca -0.01 -0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.46 2jkl n GLN 34 Cb 0.20 -1.50 -0.07 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 -1.06 7.49 -4.89 1.08 4.77 -0.69 -4.86 117.00 118.83 2jkl n LEU 35 Ca 0.11 -4.09 -0.29 0.00 -0.03 0.00 0.00 56.01 51.72 2jkl n LEU 35 Cb 0.31 -1.46 0.05 0.00 -2.33 0.00 0.00 43.42 39.98 2jkl n LEU 35 CO 0.26 1.94 0.70 0.42 -1.33 0.00 0.00 177.39 179.39 2jkl s THR 36 N 0.98 3.34 0.21 -5.08 -4.23 -1.26 -0.93 115.64 108.68 2jkl s THR 36 Ca 0.66 0.30 -0.32 0.00 -1.18 0.00 0.00 61.69 61.14 2jkl s THR 36 Cb 0.24 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 70.54 2jkl s THR 36 CO -0.06 -0.51 1.68 -0.67 -0.54 0.00 0.00 174.62 174.52 2jkl n ASP 37 N -2.93 3.81 0.00 3.99 2.03 -1.26 -1.76 116.55 120.43 2jkl n ASP 37 Ca 0.06 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.45 2jkl n ASP 37 Cb 0.58 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 3.67 0.00 -1.90 -1.67 0.00 0.49 -4.94 120.51 116.17 2jkl n ALA 38 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2jkl n ALA 38 Cb 0.34 -0.45 -0.03 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 -1.92 3.75 0.23 0.00 0.00 -0.72 -4.58 121.76 118.52 2jkl s ALA 39 Ca 0.00 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 2jkl s ALA 39 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 2jkl s ALA 39 CO 0.00 -0.79 1.23 -1.25 0.00 0.00 0.00 175.76 174.95 2jkl s PRO 40 N 0.74 4.46 -0.26 0.00 0.04 -1.26 -0.69 135.00 138.04 2jkl s PRO 40 Ca 0.68 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 63.66 2jkl s PRO 40 Cb -0.44 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.76 2jkl s PRO 40 CO 0.35 -0.11 -0.26 -0.89 0.04 0.00 0.00 177.00 176.13 2jkl n ILE 41 N 2.07 1.44 0.00 0.56 5.41 0.52 -4.91 119.36 124.46 2jkl n ILE 41 Ca 0.03 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.29 2jkl n ILE 41 Cb 0.44 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 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 2.00 2.65 3.90 7.39 0.00 -1.21 -5.03 105.19 114.90 2jkl n GLY 42 Ca -0.47 -0.68 -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 3.62 -0.15 1.61 0.04 -1.26 -2.17 135.00 134.69 2jkl s PRO 43 Ca 0.00 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.27 2jkl s PRO 43 Cb 0.00 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2jkl s PRO 43 CO 0.00 -0.09 -0.06 0.08 0.04 0.00 0.00 177.00 176.97 2jkl s VAL 44 N -2.54 1.08 0.38 -0.36 1.01 0.43 -4.96 120.40 115.43 2jkl s VAL 44 Ca 0.48 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.71 2jkl s VAL 44 Cb -0.10 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 2jkl s VAL 44 CO 0.39 0.21 0.98 0.42 0.00 0.00 0.00 175.10 177.10 2jkl s THR 45 N 1.66 4.08 -0.04 3.92 -4.23 -1.26 -0.83 115.64 118.94 2jkl s THR 45 Ca 0.02 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 2jkl s THR 45 Cb -0.14 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 69.94 2jkl s THR 45 CO -0.08 -0.03 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.27 2jkl s VAL 46 N -1.78 0.31 -0.20 2.29 1.01 -0.07 -4.93 120.40 117.03 2jkl s VAL 46 Ca 0.56 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2jkl s VAL 46 Cb -0.17 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.87 2jkl s VAL 46 CO 0.22 0.19 0.05 -1.10 0.00 0.00 0.00 175.10 174.47 2jkl s GLN 47 N 1.23 0.52 0.01 2.72 -1.52 -1.26 -0.60 119.66 120.75 2jkl s GLN 47 Ca -0.07 -0.38 -0.03 0.00 -1.95 0.00 0.00 55.36 52.93 2jkl s GLN 47 Cb -0.13 -2.03 -0.04 0.00 -0.22 0.00 0.00 33.01 30.59 2jkl s GLN 47 CO -0.02 -0.67 0.20 0.00 -0.25 0.00 0.00 175.29 174.56 2jkl s ALA 48 N 1.91 3.94 -0.02 6.09 0.00 -0.44 -5.01 121.76 128.24 2jkl s ALA 48 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2jkl s ALA 48 Cb -0.17 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2jkl s ALA 48 CO -0.10 0.74 0.05 -0.51 0.00 0.00 0.00 175.76 175.95 2jkl s LEU 49 N -1.99 1.62 -0.60 0.00 1.02 -1.26 -4.58 118.68 112.88 2jkl s LEU 49 Ca 0.29 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.54 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 0.19 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.13 2jkl n GLY 50 N 3.32 0.79 1.72 -3.19 0.00 -1.26 -4.95 105.19 101.63 2jkl n GLY 50 Ca -0.16 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 1.40 0.00 -0.06 0.00 3.04 -1.92 -1.95 116.42 116.93 2jkl h ASP 52 Ca 0.39 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.18 2jkl h ASP 52 Cb 1.68 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.96 2jkl h ASP 52 CO 0.81 0.00 -0.04 0.00 -2.04 0.00 0.00 179.24 177.96 2jkl n ALA 53 N -2.44 2.56 -2.38 4.15 0.00 -1.26 -3.68 120.51 117.46 2jkl n ALA 53 Ca -0.02 -2.64 -0.15 0.00 0.00 0.00 0.00 53.44 50.63 2jkl n ALA 53 Cb 0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.91 0.98 -0.31 0.00 1.81 -1.02 -4.92 118.95 112.57 2jkl s ARG 54 Ca 0.35 -1.31 -0.18 0.00 -1.72 0.00 0.00 55.73 52.87 2jkl s ARG 54 Cb 0.30 -0.64 -0.01 0.00 -0.45 0.00 0.00 34.95 34.15 2jkl s ARG 54 CO 0.03 0.10 0.50 -0.65 -0.68 0.00 0.00 175.30 174.60 2jkl s GLN 55 N -3.21 3.81 0.41 3.54 -0.21 -1.25 -1.77 119.66 120.98 2jkl s GLN 55 Ca 0.11 0.02 -0.27 0.00 0.02 0.00 0.00 55.36 55.24 2jkl s GLN 55 Cb -0.01 -3.74 -0.10 0.00 1.00 0.00 0.00 33.01 30.16 2jkl s GLN 55 CO 0.01 -0.51 1.46 0.08 -2.12 0.00 0.00 175.29 174.20 2jkl s VAL 56 N 2.34 2.06 0.06 1.09 1.01 -1.26 -1.16 120.40 124.55 2jkl s VAL 56 Ca 0.19 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 2jkl s VAL 56 Cb -0.15 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jkl s VAL 56 CO 0.12 0.01 0.18 0.00 0.00 0.00 0.00 175.10 175.41 2jkl s ALA 57 N -1.16 -0.26 -0.05 5.51 0.00 -0.11 -0.83 121.76 124.85 2jkl s ALA 57 Ca 0.57 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2jkl s ALA 57 Cb -0.45 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2jkl s ALA 57 CO 0.60 -0.43 -0.12 -0.51 0.00 0.00 0.00 175.76 175.30 2jkl s LEU 58 N -2.50 1.66 -0.13 0.00 2.01 -0.28 -1.29 118.68 118.16 2jkl s LEU 58 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 53.87 2jkl s LEU 58 Cb 0.02 -0.76 -0.02 0.00 0.01 0.00 0.00 46.19 45.44 2jkl s LEU 58 CO -0.08 0.04 -0.13 -0.75 1.01 0.00 0.00 176.35 176.44 2jkl s LYS 59 N 0.55 3.35 0.37 1.70 2.20 0.15 -0.64 119.74 127.43 2jkl s LYS 59 Ca -0.12 -0.69 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 2jkl s LYS 59 Cb -0.14 -2.62 -0.10 0.00 -1.51 0.00 0.00 37.83 33.46 2jkl s LYS 59 CO 0.03 0.23 0.87 0.00 -0.36 0.00 0.00 175.35 176.12 2jkl s ALA 60 N 0.30 3.17 0.71 3.13 0.00 -0.27 -0.73 121.76 128.07 2jkl s ALA 60 Ca -0.10 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 2jkl s ALA 60 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2jkl s ALA 60 CO 0.06 0.21 1.15 -0.25 0.00 0.00 0.00 175.76 176.93 2jkl n ASP 61 N -0.37 1.23 -0.28 0.00 9.92 -0.68 -4.86 116.55 121.51 2jkl n ASP 61 Ca 0.05 0.71 0.16 0.00 -0.53 0.00 0.00 54.79 55.18 2jkl n ASP 61 Cb 0.53 -1.49 0.43 0.00 -0.64 0.00 0.00 41.12 39.95 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 -0.12 0.72 0.00 -3.53 2.02 -1.93 -0.00 112.91 110.07 2jkl h THR 62 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jkl h THR 62 Cb 1.33 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2jkl h THR 62 CO 0.49 0.11 0.00 0.47 0.37 0.00 0.00 175.52 176.95 2jkl n ASP 63 N -4.59 0.00 -0.69 4.18 8.00 -1.26 -3.50 116.55 118.69 2jkl n ASP 63 Ca 0.20 -0.63 0.07 0.00 0.71 0.00 0.00 54.79 55.14 2jkl n ASP 63 Cb 0.61 -0.09 0.12 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.09 2.61 -3.81 -2.24 5.03 -0.02 -4.75 115.26 111.00 2jkl n ASN 64 Ca 0.19 -1.76 -0.12 0.00 0.87 0.00 0.00 54.58 53.75 2jkl n ASN 64 Cb 0.14 -0.12 -0.09 0.00 -1.02 0.00 0.00 39.78 38.69 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 -1.14 -0.07 -0.30 3.10 -0.12 -1.23 -1.01 117.98 117.22 2jkl s PHE 65 Ca 0.22 0.02 -0.15 0.00 -0.05 0.00 0.00 56.93 56.98 2jkl s PHE 65 Cb 0.14 0.03 0.16 0.00 -0.63 0.00 0.00 43.02 42.72 2jkl s PHE 65 CO 0.19 -0.39 0.95 -2.00 -0.05 0.00 0.00 175.22 173.93 2jkl s GLU 66 N -1.73 0.33 -0.96 1.99 2.12 -0.79 -4.95 118.70 114.71 2jkl s GLU 66 Ca -0.11 0.80 -0.03 0.00 0.36 0.00 0.00 54.97 55.99 2jkl s GLU 66 Cb -0.05 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2jkl s GLU 66 CO 0.01 -0.11 0.82 1.04 -0.54 0.00 0.00 175.26 176.48 2jkl n GLN 67 N 4.89 -3.75 -0.74 4.30 6.02 -1.26 -2.86 117.38 123.98 2jkl n GLN 67 Ca -0.10 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2jkl n GLN 67 Cb 0.53 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.50 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 -1.19 0.28 3.53 1.08 0.00 -1.26 -4.97 105.19 102.65 2jkl n GLY 68 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.84 2.31 0.10 1.61 1.02 -1.13 -5.00 119.74 117.81 2jkl s LYS 69 Ca 0.00 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.17 2jkl s LYS 69 Cb 0.00 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2jkl s LYS 69 CO 0.00 0.57 0.07 -0.06 -0.92 0.00 0.00 175.35 175.00 2jkl s PHE 70 N -0.98 3.12 -0.12 3.18 0.40 -1.26 -1.88 117.98 120.44 2jkl s PHE 70 Ca 0.16 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 56.22 2jkl s PHE 70 Cb -0.11 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.94 2jkl s PHE 70 CO 0.07 0.51 0.75 -0.59 0.70 0.00 0.00 175.22 176.67 2jkl s PHE 71 N -1.45 -0.63 0.52 0.36 -0.12 -0.18 -1.80 117.98 114.68 2jkl s PHE 71 Ca 0.29 1.19 -0.18 0.00 -0.05 0.00 0.00 56.93 58.18 2jkl s PHE 71 Cb -0.12 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 2jkl s PHE 71 CO 0.21 -0.51 1.02 -0.51 -0.05 0.00 0.00 175.22 175.38 2jkl s LEU 72 N -0.84 3.69 0.00 -1.99 1.02 0.08 -4.53 118.68 116.11 2jkl s LEU 72 Ca -0.07 1.77 0.06 0.00 0.02 0.00 0.00 54.13 55.91 2jkl s LEU 72 Cb -0.01 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 2jkl s LEU 72 CO 0.06 -0.79 -0.18 -0.51 0.02 0.00 0.00 176.35 174.95 2jkl s ILE 73 N -2.32 1.44 0.93 -0.59 1.10 -0.36 -1.52 121.20 119.87 2jkl s ILE 73 Ca 0.63 -0.87 -0.11 0.00 -0.51 0.00 0.00 60.65 59.79 2jkl s ILE 73 Cb -0.13 -1.22 0.15 0.00 0.15 0.00 0.00 42.46 41.41 2jkl s ILE 73 CO 0.27 0.33 1.10 -0.94 -2.11 0.00 0.00 174.94 173.59 2jkl s SER 74 N -0.63 3.05 0.39 4.50 1.04 -0.37 -1.31 113.70 120.38 2jkl s SER 74 Ca 0.07 1.77 0.10 0.00 0.48 0.00 0.00 55.95 58.36 2jkl s SER 74 Cb -0.07 -2.38 0.87 0.00 0.10 0.00 0.00 66.02 64.54 2jkl s SER 74 CO -0.00 -2.95 1.96 0.44 0.98 0.00 0.00 173.24 173.67 2jkl h ASP 75 N -1.76 0.54 -0.19 7.02 3.32 -1.62 -0.41 116.42 123.31 2jkl h ASP 75 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2jkl h ASP 75 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jkl h ASP 75 CO 0.49 0.33 0.00 -0.46 -1.72 0.00 0.00 179.24 177.88 2jkl n ASN 76 N -4.49 1.27 0.00 6.45 0.23 -1.26 -4.90 115.26 112.56 2jkl n ASN 76 Ca 0.11 -1.81 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 2jkl n ASN 76 Cb 0.32 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2jkl n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jkl n ASN 77 N 0.12 -2.51 -0.04 0.53 5.15 -0.16 -4.89 115.26 113.46 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 0.23 -1.62 -0.13 0.00 -0.53 0.00 0.00 39.78 37.73 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 -1.48 0.69 -4.02 1.20 0.63 -1.26 -4.87 116.66 107.55 2jkl n ARG 78 Ca 0.00 0.34 -0.36 0.00 -0.92 0.00 0.00 57.85 56.92 2jkl n ARG 78 Cb 0.14 -1.70 -0.08 0.00 0.45 0.00 0.00 32.46 31.27 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 5.90 0.06 6.15 1.01 -1.26 -4.96 116.67 116.58 2jkl s ASP 79 Ca -0.26 0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.31 2jkl s ASP 79 Cb 0.07 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2jkl s ASP 79 CO 0.70 0.33 -0.01 -0.54 0.21 0.00 0.00 175.17 175.86 2jkl s LYS 80 N -0.55 2.62 -0.34 8.23 1.02 -1.26 -1.23 119.74 128.23 2jkl s LYS 80 Ca 0.11 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.35 2jkl s LYS 80 Cb -0.12 -2.57 0.10 0.00 -0.52 0.00 0.00 37.83 34.72 2jkl s LYS 80 CO 0.02 0.57 0.11 -1.17 -0.92 0.00 0.00 175.35 173.96 2jkl s LEU 81 N -2.02 3.00 0.26 3.17 2.96 -0.58 -4.97 118.68 120.50 2jkl s LEU 81 Ca 0.23 -1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 51.92 2jkl s LEU 81 Cb -0.12 -1.10 -0.10 0.00 0.50 0.00 0.00 46.19 45.37 2jkl s LEU 81 CO 0.15 -0.39 1.44 -0.31 -1.32 0.00 0.00 176.35 175.92 2jkl s TYR 82 N 1.24 3.01 0.18 5.38 1.51 -1.26 -0.74 117.35 126.66 2jkl s TYR 82 Ca 0.11 1.05 0.02 0.00 -1.01 0.00 0.00 57.07 57.24 2jkl s TYR 82 Cb -0.19 -3.82 -0.05 0.00 -0.11 0.00 0.00 41.96 37.80 2jkl s TYR 82 CO -0.17 -2.65 -0.01 0.14 -1.11 0.00 0.00 175.55 171.75 2jkl s VAL 83 N -0.08 0.80 -0.03 0.71 -7.23 -0.74 -0.91 120.40 112.91 2jkl s VAL 83 Ca 0.59 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2jkl s VAL 83 Cb -0.42 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2jkl s VAL 83 CO 0.44 -0.49 -0.07 0.20 -0.31 0.00 0.00 175.10 174.87 2jkl s ASN 84 N -3.19 4.59 -0.17 4.85 0.01 0.73 -4.31 114.94 117.45 2jkl s ASN 84 Ca 0.24 -0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 2jkl s ASN 84 Cb 0.06 -1.10 -0.00 0.00 0.41 0.00 0.00 41.25 40.62 2jkl s ASN 84 CO 0.04 0.32 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.20 2jkl s ILE 85 N -0.91 2.87 -0.13 0.60 1.01 -1.26 -1.42 121.20 121.96 2jkl s ILE 85 Ca 0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 2jkl s ILE 85 Cb -0.11 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.17 2jkl s ILE 85 CO 0.05 0.49 0.32 -0.60 0.00 0.00 0.00 174.94 175.20 2jkl s ARG 86 N 0.97 0.30 0.49 2.79 3.52 -0.73 -4.98 118.95 121.30 2jkl s ARG 86 Ca -0.02 0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 55.96 2jkl s ARG 86 Cb -0.15 -0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.14 2jkl s ARG 86 CO -0.02 -0.14 1.22 -1.25 -0.81 0.00 0.00 175.30 174.31 2jkl s PRO 87 N 1.11 3.54 0.44 5.12 0.04 -1.26 -0.21 135.00 143.78 2jkl s PRO 87 Ca -0.08 1.91 0.24 0.00 0.04 0.00 0.00 61.00 63.11 2jkl s PRO 87 Cb -0.08 -2.34 0.86 0.00 0.04 0.00 0.00 34.50 32.98 2jkl s PRO 87 CO -0.08 -0.77 1.80 1.79 0.04 0.00 0.00 177.00 179.77 2jkl h THR 88 N 1.70 0.49 -2.72 1.26 1.35 -1.49 -3.45 112.91 110.04 2jkl h THR 88 Ca -0.50 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2jkl h THR 88 Cb 1.26 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 2jkl h THR 88 CO 0.59 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 175.17 2jkl n ASP 89 N -3.33 0.00 -1.44 5.36 3.85 -1.26 -5.00 116.55 114.73 2jkl n ASP 89 Ca 0.01 -0.77 0.07 0.00 -0.71 0.00 0.00 54.79 53.38 2jkl n ASP 89 Cb 0.45 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.52 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 -2.31 4.24 -4.78 -1.12 3.02 -1.26 -4.98 115.26 108.07 2jkl n ASN 90 Ca 0.00 -2.49 -0.36 0.00 -0.03 0.00 0.00 54.58 51.70 2jkl n ASN 90 Cb 0.00 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.60 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 -0.74 6.02 -0.15 6.41 1.04 -1.26 -5.02 113.70 120.00 2jkl s SER 91 Ca 0.42 2.19 -0.15 0.00 0.48 0.00 0.00 55.95 58.89 2jkl s SER 91 Cb 0.29 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 2jkl s SER 91 CO 0.17 -1.01 0.35 0.00 0.98 0.00 0.00 173.24 173.73 2jkl s ALA 92 N -1.71 3.56 0.23 5.32 0.00 -1.26 -4.89 121.76 123.01 2jkl s ALA 92 Ca 0.68 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.30 2jkl s ALA 92 Cb -0.25 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2jkl s ALA 92 CO 0.29 0.05 -0.02 -1.58 0.00 0.00 0.00 175.76 174.50 2jkl s TRP 93 N 0.54 1.60 0.05 0.00 0.52 -1.26 -1.00 118.94 119.39 2jkl s TRP 93 Ca 0.19 -0.88 0.03 0.00 0.02 0.00 0.00 56.10 55.47 2jkl s TRP 93 Cb -0.14 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 2jkl s TRP 93 CO 0.06 0.02 -0.10 0.99 0.02 0.00 0.00 176.95 177.93 2jkl s THR 94 N -3.35 0.75 -0.13 2.01 2.01 0.10 -4.86 115.64 112.17 2jkl s THR 94 Ca 0.28 -1.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 2jkl s THR 94 Cb 0.05 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 2jkl s THR 94 CO 0.09 -0.31 -0.03 -0.89 -0.69 0.00 0.00 174.62 172.79 2jkl s THR 95 N -1.30 3.98 -0.30 -0.82 2.01 -1.26 -0.58 115.64 117.37 2jkl s THR 95 Ca -0.07 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 2jkl s THR 95 Cb -0.10 -2.72 0.13 0.00 0.01 0.00 0.00 72.50 69.83 2jkl s THR 95 CO 0.01 0.53 0.26 -0.62 -0.69 0.00 0.00 174.62 174.11 2jkl s ASP 96 N -0.02 2.12 -1.16 3.53 3.68 0.69 -4.98 116.67 120.53 2jkl s ASP 96 Ca 0.01 -1.05 -0.21 0.00 2.13 0.00 0.00 52.55 53.44 2jkl s ASP 96 Cb -0.13 0.27 -0.00 0.00 -1.45 0.00 0.00 42.92 41.60 2jkl s ASP 96 CO 0.02 -0.38 0.77 -3.20 0.13 0.00 0.00 175.17 172.51 2jkl n ASN 97 N 5.11 -4.94 0.00 -0.34 5.15 -1.26 -2.04 115.26 116.94 2jkl n ASN 97 Ca -0.01 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 2jkl n ASN 97 Cb 0.45 -3.24 0.00 0.00 -0.53 0.00 0.00 39.78 36.46 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 -1.73 1.49 3.57 8.20 0.00 -1.26 -5.00 105.19 110.46 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 -2.67 4.19 -0.33 1.61 1.01 -0.87 -1.12 120.40 122.23 2jkl s VAL 99 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2jkl s VAL 99 Cb 0.00 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.62 2jkl s VAL 99 CO 0.00 0.51 0.06 0.12 0.00 0.00 0.00 175.10 175.79 2jkl s PHE 100 N 0.06 3.41 0.19 5.22 5.36 0.19 -0.23 117.98 132.18 2jkl s PHE 100 Ca 0.02 -2.15 0.11 0.00 -0.96 0.00 0.00 56.93 53.95 2jkl s PHE 100 Cb -0.13 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 2jkl s PHE 100 CO 0.02 -0.87 -0.23 1.52 -1.46 0.00 0.00 175.22 174.20 2jkl s TYR 101 N 1.18 2.33 0.18 10.12 1.13 0.25 -1.13 117.35 131.43 2jkl s TYR 101 Ca 0.00 -0.35 -0.30 0.00 -1.41 0.00 0.00 57.07 55.02 2jkl s TYR 101 Cb -0.21 -1.16 -0.08 0.00 -1.10 0.00 0.00 41.96 39.42 2jkl s TYR 101 CO -0.03 0.49 0.95 0.21 -2.51 0.00 0.00 175.55 174.66 2jkl s LYS 102 N -2.65 4.78 0.47 -3.49 2.20 -0.01 0.01 119.74 121.04 2jkl s LYS 102 Ca 0.21 1.46 0.22 0.00 -0.36 0.00 0.00 55.97 57.50 2jkl s LYS 102 Cb -0.08 -3.32 1.16 0.00 -1.51 0.00 0.00 37.83 34.07 2jkl s LYS 102 CO 0.10 0.39 1.97 -0.91 -0.36 0.00 0.00 175.35 176.54 2jkl h ASN 103 N 4.78 0.00 -3.43 1.43 4.21 -1.40 -3.43 115.58 117.75 2jkl h ASN 103 Ca -0.44 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.40 2jkl h ASN 103 Cb 1.20 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.21 2jkl h ASN 103 CO 0.70 0.20 -0.83 -1.81 -1.29 0.00 0.00 177.43 174.40 2jkl s ASP 104 N -6.44 3.48 0.92 5.81 1.01 -1.26 -5.08 116.67 115.11 2jkl s ASP 104 Ca -0.03 -0.79 -0.12 0.00 0.71 0.00 0.00 52.55 52.32 2jkl s ASP 104 Cb 0.13 -0.29 0.14 0.00 1.01 0.00 0.00 42.92 43.91 2jkl s ASP 104 CO 0.64 0.14 1.10 0.68 0.21 0.00 0.00 175.17 177.94 2jkl s VAL 105 N -1.46 2.46 0.00 -1.27 -7.23 -1.26 -4.56 120.40 107.07 2jkl s VAL 105 Ca 0.19 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2jkl s VAL 105 Cb -0.09 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2jkl s VAL 105 CO 0.09 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2jkl n GLY 106 N -1.40 4.15 3.16 2.32 0.00 -0.73 -4.93 105.19 107.76 2jkl n GLY 106 Ca 0.06 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 4.77 -4.77 1.61 7.64 -1.18 -4.45 113.62 117.24 2jkl n SER 107 Ca 0.00 -2.96 -0.39 0.00 1.01 0.00 0.00 58.87 56.53 2jkl n SER 107 Cb 0.00 -1.62 -0.02 0.00 -1.01 0.00 0.00 64.21 61.56 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 2.39 3.05 -0.02 1.43 -0.00 -1.26 -4.65 118.94 119.87 2jkl s TRP 108 Ca 0.46 1.51 0.04 0.00 -0.00 0.00 0.00 56.10 58.11 2jkl s TRP 108 Cb 0.06 -3.49 -0.01 0.00 -0.00 0.00 0.00 33.47 30.03 2jkl s TRP 108 CO -0.00 -1.52 -0.14 0.20 -0.00 0.00 0.00 176.95 175.48 2jkl s GLY 109 N -0.92 0.75 0.00 5.86 0.00 -1.26 -1.33 107.32 110.42 2jkl s GLY 109 Ca 0.55 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.67 2jkl s GLY 109 CO 0.43 -0.41 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2jkl n GLY 110 N 2.93 -1.29 3.38 0.20 0.00 0.23 -5.00 105.19 105.65 2jkl n GLY 110 Ca -0.16 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.54 2.89 -0.23 -0.61 -1.09 -1.26 -0.89 121.20 117.48 2jkl s ILE 111 Ca 0.00 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.62 2jkl s ILE 111 Cb 0.00 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 2jkl s ILE 111 CO 0.00 0.55 0.01 -0.63 -1.23 0.00 0.00 174.94 173.64 2jkl s ILE 112 N -0.01 3.85 0.13 2.92 -1.09 -0.01 -1.11 121.20 125.87 2jkl s ILE 112 Ca -0.05 -0.33 -0.15 0.00 -2.23 0.00 0.00 60.65 57.89 2jkl s ILE 112 Cb -0.14 -2.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.90 2jkl s ILE 112 CO 0.04 0.39 0.54 -0.83 -1.23 0.00 0.00 174.94 173.86 2jkl s GLY 113 N 1.41 2.49 -0.24 6.18 0.00 0.71 -0.43 107.32 117.44 2jkl s GLY 113 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.63 2jkl s GLY 113 CO 0.00 0.19 -0.04 -0.42 0.00 0.00 0.00 173.10 172.83 2jkl s ILE 114 N -1.40 3.14 0.07 0.90 -1.09 -0.92 -1.78 121.20 120.11 2jkl s ILE 114 Ca 0.36 -0.81 0.08 0.00 -2.23 0.00 0.00 60.65 58.05 2jkl s ILE 114 Cb -0.16 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2jkl s ILE 114 CO 0.19 0.27 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.64 2jkl s TYR 115 N 1.40 1.88 0.19 3.97 2.02 -0.51 -0.35 117.35 125.95 2jkl s TYR 115 Ca 0.03 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 56.02 2jkl s TYR 115 Cb -0.16 -1.09 -0.11 0.00 -0.40 0.00 0.00 41.96 40.20 2jkl s TYR 115 CO -0.04 0.15 1.67 0.08 -1.57 0.00 0.00 175.55 175.84 2jkl s VAL 116 N -0.93 2.26 -0.61 0.71 1.01 0.14 -0.19 120.40 122.79 2jkl s VAL 116 Ca 0.08 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 2jkl s VAL 116 Cb -0.09 -3.12 0.15 0.00 0.00 0.00 0.00 36.38 33.32 2jkl s VAL 116 CO 0.03 0.01 0.54 -0.62 0.00 0.00 0.00 175.10 175.06 2jkl s ASP 117 N 1.19 6.19 0.00 3.32 2.15 -0.08 -0.38 116.67 129.06 2jkl s ASP 117 Ca 0.73 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 51.60 2jkl s ASP 117 Cb -0.47 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2jkl s ASP 117 CO 0.32 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2jkl n GLY 118 N 4.75 -1.27 3.71 2.66 0.00 -1.26 -4.74 105.19 109.03 2jkl n GLY 118 Ca -0.04 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.07 2.78 -2.60 1.61 -0.00 -1.26 -4.36 117.38 113.48 2jkl n GLN 119 Ca 0.00 1.00 -0.14 0.00 -0.00 0.00 0.00 57.00 57.86 2jkl n GLN 119 Cb 0.00 -2.86 0.02 0.00 -0.00 0.00 0.00 30.24 27.40 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 4.24 1.94 0.00 2.61 6.02 -0.10 -4.90 117.38 127.18 2jkl n GLN 120 Ca 0.16 -3.67 0.07 0.00 -0.01 0.00 0.00 57.00 53.55 2jkl n GLN 120 Cb 0.35 -1.60 0.41 0.00 1.02 0.00 0.00 30.24 30.43 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 -0.23 0.03 0.31 5.09 -2.24 -1.24 -1.93 114.28 114.07 2jkl n THR 121 Ca 0.19 0.01 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 2jkl n THR 121 Cb 0.77 -0.79 0.18 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.01 3.20 -4.66 3.42 3.02 -1.26 -4.37 115.26 113.60 2jkl n ASN 122 Ca 0.10 -1.93 -0.46 0.00 -0.03 0.00 0.00 54.58 52.26 2jkl n ASN 122 Cb 0.05 -0.20 -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 1.28 0.62 -2.18 3.41 -1.04 -0.81 -4.92 114.28 110.65 2jkl n THR 123 Ca 0.17 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 2jkl n THR 123 Cb 0.55 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.64 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 0.01 4.40 0.43 -2.82 0.02 -1.26 -4.85 135.00 130.94 2jkl s PRO 124 Ca 0.73 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 63.63 2jkl s PRO 124 Cb -0.69 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 30.64 2jkl s PRO 124 CO 0.46 -0.12 1.43 -2.30 -0.33 0.00 0.00 177.00 176.14 2jkl n PRO 125 N 0.90 2.31 -3.69 5.54 -0.02 -1.26 -4.86 135.00 133.91 2jkl n PRO 125 Ca -0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 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 0.58 -2.00 3.59 -1.23 0.00 -0.68 -4.96 105.19 100.48 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 -1.50 5.65 0.01 1.61 0.01 -1.26 -0.65 114.94 118.80 2jkl s ASN 127 Ca 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 52.86 52.22 2jkl s ASN 127 Cb 0.00 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 2jkl s ASN 127 CO 0.00 0.07 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.15 2jkl s TYR 128 N 0.98 2.51 0.02 2.20 2.02 0.70 -1.47 117.35 124.31 2jkl s TYR 128 Ca 0.05 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 2jkl s TYR 128 Cb -0.14 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2jkl s TYR 128 CO 0.03 0.15 -0.06 0.99 -1.57 0.00 0.00 175.55 175.09 2jkl s THR 129 N -0.79 0.46 -0.09 -0.71 2.01 -0.43 -0.98 115.64 115.12 2jkl s THR 129 Ca 0.12 -0.74 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 2jkl s THR 129 Cb -0.10 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 71.95 2jkl s THR 129 CO 0.02 -0.20 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.47 2jkl s LEU 130 N -1.02 1.10 -0.16 4.42 2.96 0.04 -1.22 118.68 124.79 2jkl s LEU 130 Ca -0.06 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2jkl s LEU 130 Cb -0.07 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 2jkl s LEU 130 CO 0.00 -0.12 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.95 2jkl s THR 131 N 1.59 3.42 -0.10 3.68 2.01 -1.26 -0.37 115.64 124.62 2jkl s THR 131 Ca 0.02 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.52 2jkl s THR 131 Cb -0.13 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.90 2jkl s THR 131 CO -0.06 0.49 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.45 2jkl s LEU 132 N 0.65 1.72 -0.11 4.42 1.43 -0.41 -1.69 118.68 124.69 2jkl s LEU 132 Ca -0.04 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2jkl s LEU 132 Cb -0.15 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 2jkl s LEU 132 CO 0.02 0.03 -0.01 -0.89 0.23 0.00 0.00 176.35 175.74 2jkl s THR 133 N 0.85 4.19 0.40 5.49 2.01 0.09 -0.95 115.64 127.73 2jkl s THR 133 Ca -0.10 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 2jkl s THR 133 Cb -0.15 -2.79 -0.11 0.00 0.01 0.00 0.00 72.50 69.46 2jkl s THR 133 CO 0.01 0.56 0.92 -0.83 -0.69 0.00 0.00 174.62 174.58 2jkl s GLY 134 N -0.41 2.41 0.00 4.40 0.00 -0.46 -0.67 107.32 112.60 2jkl s GLY 134 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2jkl s GLY 134 CO 0.02 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.37 2jkl n GLY 135 N -0.50 -0.68 3.05 0.20 0.00 -0.41 -1.37 105.19 105.48 2jkl n GLY 135 Ca 0.06 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.49 0.44 0.17 1.61 1.13 -0.75 -0.93 117.35 115.52 2jkl s TYR 136 Ca 0.00 -0.85 0.10 0.00 -1.41 0.00 0.00 57.07 54.91 2jkl s TYR 136 Cb 0.00 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2jkl s TYR 136 CO 0.00 -0.29 -0.20 -0.46 -2.51 0.00 0.00 175.55 172.09 2jkl s TRP 137 N -2.93 2.42 0.00 -3.49 -0.00 -0.31 -0.60 118.94 114.04 2jkl s TRP 137 Ca -0.02 -0.31 0.00 0.00 -0.00 0.00 0.00 56.10 55.77 2jkl s TRP 137 Cb 0.01 -1.23 0.00 0.00 -0.00 0.00 0.00 33.47 32.25 2jkl s TRP 137 CO -0.06 0.46 0.00 0.00 -0.00 0.00 0.00 176.95 177.35