#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk4 s ARG 8 N 0.00 0.59 0.68 3.23 1.70 -1.26 -5.09 118.95 118.79 1jk4 s ARG 8 Ca 0.00 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.90 1jk4 s ARG 8 Cb 0.00 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1jk4 s ARG 8 CO 0.00 -0.15 1.03 -0.65 -1.08 0.00 0.00 175.30 174.45 1jk4 s GLN 9 N -1.33 2.76 0.63 3.89 -1.52 -1.26 -1.31 119.66 121.53 1jk4 s GLN 9 Ca -0.14 0.22 -0.08 0.00 -1.95 0.00 0.00 55.36 53.41 1jk4 s GLN 9 Cb -0.06 -2.11 0.01 0.00 -0.22 0.00 0.00 33.01 30.63 1jk4 s GLN 9 CO 0.03 -0.99 0.98 0.00 -0.25 0.00 0.00 175.29 175.07 1jk4 n LEU 11 N -2.75 -1.80 -4.74 0.00 4.77 -1.26 -4.16 117.00 107.07 1jk4 n LEU 11 Ca 0.05 0.90 -0.30 0.00 -0.03 0.00 0.00 56.01 56.63 1jk4 n LEU 11 Cb 0.57 -0.84 0.13 0.00 -2.33 0.00 0.00 43.42 40.95 1jk4 n LEU 11 CO 0.55 -3.21 0.68 -2.84 -1.33 0.00 0.00 177.39 171.23 1jk4 s PRO 12 N -0.91 1.48 0.15 3.23 0.02 -1.26 -1.60 135.00 136.11 1jk4 s PRO 12 Ca 0.56 0.82 -0.24 0.00 0.02 0.00 0.00 61.00 62.16 1jk4 s PRO 12 Cb -0.73 -1.83 0.08 0.00 0.02 0.00 0.00 34.50 32.04 1jk4 s PRO 12 CO 0.54 -2.09 1.07 0.00 -0.33 0.00 0.00 177.00 176.19 1jk4 n GLY 14 N -0.68 -1.46 3.43 0.00 0.00 -1.20 -1.80 105.19 103.48 1jk4 n GLY 14 Ca -0.03 -1.18 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 1jk4 n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jk4 n PRO 15 N -1.32 0.23 -3.48 1.61 -0.02 -1.26 -0.30 135.00 130.46 1jk4 n PRO 15 Ca 0.00 0.03 -0.24 0.00 -2.02 0.00 0.00 63.50 61.27 1jk4 n PRO 15 Cb 0.03 -1.81 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1jk4 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jk4 n GLY 16 N 6.71 -0.54 2.19 -1.23 0.00 -1.26 -1.80 105.19 109.26 1jk4 n GLY 16 Ca 0.57 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 1jk4 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jk4 n GLY 17 N -1.85 -0.01 0.22 -0.02 0.00 0.59 -4.81 105.19 99.31 1jk4 n GLY 17 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1jk4 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jk4 h LYS 18 N 0.00 0.77 -7.23 1.61 6.56 -1.32 -3.39 116.57 113.56 1jk4 h LYS 18 Ca -0.21 -0.59 -0.45 0.00 -1.06 0.00 0.00 60.65 58.34 1jk4 h LYS 18 Cb 0.97 0.11 0.08 0.00 -0.57 0.00 0.00 32.23 32.82 1jk4 h LYS 18 CO 0.27 1.20 0.17 0.20 -2.06 0.00 0.00 179.45 179.24 1jk4 s GLY 19 N -4.10 1.74 0.07 3.86 0.00 -0.74 -4.83 107.32 103.32 1jk4 s GLY 19 Ca -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.41 1jk4 s GLY 19 CO 0.89 -0.76 -0.07 0.50 0.00 0.00 0.00 173.10 173.67 1jk4 s ARG 20 N -5.21 0.70 0.17 2.90 0.52 -0.36 -0.55 118.95 117.12 1jk4 s ARG 20 Ca 0.63 -1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1jk4 s ARG 20 Cb -0.08 -0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.11 1jk4 s ARG 20 CO 0.44 -0.00 1.13 0.00 0.02 0.00 0.00 175.30 176.89 1jk4 n PHE 22 N 2.51 0.00 -3.85 0.00 3.72 -0.36 -4.28 117.46 115.20 1jk4 n PHE 22 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.37 1jk4 n PHE 22 Cb 0.46 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1jk4 n PHE 22 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1jk4 s GLY 23 N -2.40 -0.09 0.52 1.37 0.00 -1.20 -2.97 107.32 102.55 1jk4 s GLY 23 Ca -0.01 -0.29 0.29 0.00 0.00 0.00 0.00 44.72 44.71 1jk4 s GLY 23 CO 0.23 -0.08 1.89 -2.55 0.00 0.00 0.00 173.10 172.59 1jk4 h PRO 24 N 2.00 0.07 0.00 2.90 0.11 -1.79 -2.28 132.00 133.01 1jk4 h PRO 24 Ca -0.20 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 1jk4 h PRO 24 Cb 1.25 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1jk4 h PRO 24 CO 0.23 0.05 -0.27 0.43 -0.21 0.00 0.00 178.00 178.23 1jk4 n SER 25 N -4.32 1.66 -4.00 -2.05 7.64 -1.26 -2.97 113.62 108.32 1jk4 n SER 25 Ca 0.18 -2.95 -0.29 0.00 1.01 0.00 0.00 58.87 56.82 1jk4 n SER 25 Cb 0.89 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.53 1jk4 n SER 25 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jk4 s ILE 26 N -2.17 1.42 -0.13 0.44 1.01 -0.86 -0.45 121.20 120.45 1jk4 s ILE 26 Ca 0.27 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1jk4 s ILE 26 Cb 0.25 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1jk4 s ILE 26 CO -0.01 0.43 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 1jk4 s GLY 29 N -1.41 0.13 0.14 0.00 0.00 0.16 -1.22 107.32 105.14 1jk4 s GLY 29 Ca 0.01 -0.33 -0.31 0.00 0.00 0.00 0.00 44.72 44.09 1jk4 s GLY 29 CO 0.02 -0.37 1.53 -1.80 0.00 0.00 0.00 173.10 172.48 1jk4 h ASP 30 N 5.29 -2.00 -0.57 1.64 3.58 -1.86 0.41 116.42 122.91 1jk4 h ASP 30 Ca -0.29 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1jk4 h ASP 30 Cb 1.21 0.86 0.00 0.00 1.72 0.00 0.00 39.33 43.12 1jk4 h ASP 30 CO 0.45 -0.30 0.00 -0.62 -2.88 0.00 0.00 179.24 175.90 1jk4 n GLU 31 N -5.25 3.40 -0.13 0.28 -0.58 -1.26 -4.24 120.64 112.86 1jk4 n GLU 31 Ca -0.00 -2.73 -0.28 0.00 -0.42 0.00 0.00 57.16 53.73 1jk4 n GLU 31 Cb 0.29 -1.75 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1jk4 n GLU 31 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jk4 n LEU 32 N 0.91 2.00 0.00 -4.62 4.77 -0.26 -5.13 117.00 114.68 1jk4 n LEU 32 Ca 0.23 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1jk4 n LEU 32 Cb 0.79 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1jk4 n LEU 32 CO 0.20 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1jk4 n GLY 33 N 1.41 -0.28 3.19 -0.72 0.00 0.13 -4.83 105.19 104.09 1jk4 n GLY 33 Ca -0.52 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.28 1jk4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jk4 s PHE 35 N 0.03 3.28 -0.45 0.00 0.08 0.47 -4.97 117.98 116.41 1jk4 s PHE 35 Ca -0.06 -1.40 -0.09 0.00 0.12 0.00 0.00 56.93 55.50 1jk4 s PHE 35 Cb -0.13 -2.45 0.11 0.00 -0.57 0.00 0.00 43.02 39.97 1jk4 s PHE 35 CO 0.03 -0.74 0.32 0.08 -0.10 0.00 0.00 175.22 174.81 1jk4 s VAL 36 N 1.42 4.23 -0.43 -0.44 1.01 -1.26 -0.84 120.40 124.09 1jk4 s VAL 36 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1jk4 s VAL 36 Cb -0.20 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1jk4 s VAL 36 CO 0.03 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.05 1jk4 n GLY 37 N 4.92 0.52 4.00 4.51 0.00 0.40 -5.03 105.19 114.50 1jk4 n GLY 37 Ca -0.09 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 1jk4 n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jk4 s THR 38 N -2.19 2.45 0.40 2.61 -4.23 -1.26 -4.99 115.64 108.44 1jk4 s THR 38 Ca 0.00 -1.08 0.13 0.00 -1.18 0.00 0.00 61.69 59.56 1jk4 s THR 38 Cb 0.00 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.65 1jk4 s THR 38 CO 0.00 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.97 1jk4 h ALA 39 N 0.48 2.02 0.00 3.99 0.00 -1.98 -0.72 119.26 123.06 1jk4 h ALA 39 Ca -0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jk4 h ALA 39 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jk4 h ALA 39 CO 0.45 -0.25 0.00 0.93 0.00 0.00 0.00 179.25 180.38 1jk4 h GLU 40 N 0.52 0.00 -0.02 0.00 3.07 -1.95 -2.36 114.58 113.84 1jk4 h GLU 40 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1jk4 h GLU 40 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1jk4 h GLU 40 CO -0.16 0.00 -0.19 0.00 -1.40 0.00 0.00 179.01 177.26 1jk4 n ALA 41 N -2.03 2.91 -0.11 3.43 0.00 -0.28 -3.20 120.51 121.23 1jk4 n ALA 41 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1jk4 n ALA 41 Cb 0.11 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.71 1jk4 n ALA 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jk4 h LEU 42 N 3.34 0.16 0.00 0.00 6.46 -1.48 -1.74 115.31 122.04 1jk4 h LEU 42 Ca 0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1jk4 h LEU 42 Cb 0.81 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1jk4 h LEU 42 CO 0.00 0.13 0.00 -1.14 -0.62 0.00 0.00 178.44 176.81 1jk4 n ARG 43 N -5.01 0.00 0.25 1.25 0.63 -1.26 -2.30 116.66 110.22 1jk4 n ARG 43 Ca 0.02 0.35 0.15 0.00 -0.92 0.00 0.00 57.85 57.45 1jk4 n ARG 43 Cb 0.13 -1.50 0.51 0.00 0.45 0.00 0.00 32.46 32.05 1jk4 n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jk4 h GLN 45 N 0.00 0.16 -0.14 0.00 5.75 -1.35 -2.66 115.11 116.89 1jk4 h GLN 45 Ca 0.00 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1jk4 h GLN 45 Cb 0.66 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1jk4 h GLN 45 CO 0.00 0.29 0.17 0.93 -2.65 0.00 0.00 178.83 177.57 1jk4 h GLU 46 N 0.16 0.00 -0.20 1.69 5.08 -1.74 -1.23 114.58 118.34 1jk4 h GLU 46 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1jk4 h GLU 46 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1jk4 h GLU 46 CO 0.02 0.00 -0.13 0.93 -1.00 0.00 0.00 179.01 178.83 1jk4 h GLU 47 N 0.00 0.32 -0.02 2.33 4.39 -1.68 -2.15 114.58 117.77 1jk4 h GLU 47 Ca 0.06 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1jk4 h GLU 47 Cb 0.41 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1jk4 h GLU 47 CO -0.00 0.45 0.05 -0.91 -1.16 0.00 0.00 179.01 177.44 1jk4 h ASN 48 N 0.30 0.00 0.78 1.42 -0.26 -1.41 -1.76 115.58 114.65 1jk4 h ASN 48 Ca 0.06 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.70 1jk4 h ASN 48 Cb 0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 1jk4 h ASN 48 CO 0.02 0.00 -1.29 -1.22 -1.06 0.00 0.00 177.43 173.88 1jk4 n TYR 49 N -3.39 0.94 -2.72 1.19 0.53 -0.81 -4.89 117.16 108.01 1jk4 n TYR 49 Ca -0.02 0.30 -0.42 0.00 -1.02 0.00 0.00 57.90 56.73 1jk4 n TYR 49 Cb 0.13 -1.02 -0.03 0.00 -1.03 0.00 0.00 39.34 37.38 1jk4 n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1jk4 s LEU 50 N -5.58 4.38 0.12 7.72 1.43 -0.66 -4.97 118.68 121.11 1jk4 s LEU 50 Ca -0.02 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.57 1jk4 s LEU 50 Cb 0.09 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1jk4 s LEU 50 CO 0.81 -0.24 1.65 -0.65 0.23 0.00 0.00 176.35 178.14 1jk4 h PRO 51 N 6.72 0.58 -6.63 1.29 0.11 -1.90 -3.44 132.00 128.71 1jk4 h PRO 51 Ca -0.41 -0.12 -0.52 0.00 0.11 0.00 0.00 66.00 65.05 1jk4 h PRO 51 Cb 1.22 -0.08 0.05 0.00 0.11 0.00 0.00 31.00 32.29 1jk4 h PRO 51 CO 0.75 0.59 0.90 -1.54 -0.21 0.00 0.00 178.00 178.48 1jk4 s SER 52 N -5.89 6.54 0.26 -2.05 1.04 -1.26 -4.98 113.70 107.35 1jk4 s SER 52 Ca -0.13 2.68 -0.30 0.00 0.48 0.00 0.00 55.95 58.69 1jk4 s SER 52 Cb 0.10 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 1jk4 s SER 52 CO 0.75 -0.85 1.13 -2.16 0.98 0.00 0.00 173.24 173.10 1jk4 s PRO 53 N 0.97 4.59 0.16 4.02 0.04 -1.26 -5.06 135.00 138.46 1jk4 s PRO 53 Ca 0.70 1.84 0.05 0.00 0.04 0.00 0.00 61.00 63.63 1jk4 s PRO 53 Cb -0.45 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 1jk4 s PRO 53 CO 0.33 0.11 -0.12 0.00 0.04 0.00 0.00 177.00 177.37 1jk4 s GLN 55 N -3.63 0.40 0.52 0.00 0.74 -0.43 -4.86 119.66 112.39 1jk4 s GLN 55 Ca 0.18 0.95 0.03 0.00 0.05 0.00 0.00 55.36 56.57 1jk4 s GLN 55 Cb 0.01 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.31 1jk4 s GLN 55 CO 0.02 -0.20 0.72 -1.12 -0.55 0.00 0.00 175.29 174.17 1jk4 s SER 56 N 1.96 5.38 0.00 6.67 0.01 -1.26 -4.03 113.70 122.43 1jk4 s SER 56 Ca -0.06 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1jk4 s SER 56 Cb -0.10 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1jk4 s SER 56 CO -0.14 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1jk4 n GLY 57 N -2.21 -2.12 2.04 3.44 0.00 -1.26 -4.78 105.19 100.29 1jk4 n GLY 57 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1jk4 n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jk4 n GLN 58 N -0.12 0.00 -2.78 1.61 7.27 -1.26 -5.00 117.38 117.10 1jk4 n GLN 58 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1jk4 n GLN 58 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1jk4 n GLN 58 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1jk4 s LYS 59 N -2.00 3.92 0.57 3.69 2.20 -1.26 -4.91 119.74 121.95 1jk4 s LYS 59 Ca 0.00 0.72 -0.18 0.00 -0.36 0.00 0.00 55.97 56.15 1jk4 s LYS 59 Cb 0.00 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 1jk4 s LYS 59 CO 0.00 -0.90 1.10 -1.25 -0.36 0.00 0.00 175.35 173.94 1jk4 s PRO 60 N 3.46 3.30 0.08 4.03 0.04 -1.26 0.32 135.00 144.97 1jk4 s PRO 60 Ca 0.39 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1jk4 s PRO 60 Cb -0.12 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1jk4 s PRO 60 CO 0.17 -0.87 0.73 0.00 0.04 0.00 0.00 177.00 177.07 1jk4 n GLY 62 N -0.29 0.85 3.56 0.00 0.00 -1.26 -1.09 105.19 106.97 1jk4 n GLY 62 Ca -0.13 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1jk4 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jk4 s SER 63 N -4.00 5.89 -1.59 1.61 0.01 -1.26 -4.03 113.70 110.34 1jk4 s SER 63 Ca 0.00 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.00 1jk4 s SER 63 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1jk4 s SER 63 CO 0.00 -2.08 0.04 0.61 0.41 0.00 0.00 173.24 172.22 1jk4 n GLY 64 N 6.66 -0.50 4.01 3.44 0.00 -1.26 -4.83 105.19 112.71 1jk4 n GLY 64 Ca 0.38 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 1jk4 n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jk4 s GLY 65 N -2.09 1.92 0.07 -0.02 0.00 -0.25 -4.69 107.32 102.26 1jk4 s GLY 65 Ca 0.02 -1.70 0.06 0.00 0.00 0.00 0.00 44.72 43.09 1jk4 s GLY 65 CO 0.03 -1.48 -0.15 0.50 0.00 0.00 0.00 173.10 171.99 1jk4 s ARG 66 N -4.41 0.90 -0.39 2.90 1.81 -0.16 -1.34 118.95 118.25 1jk4 s ARG 66 Ca 0.56 -0.96 -0.28 0.00 -1.72 0.00 0.00 55.73 53.33 1jk4 s ARG 66 Cb -0.10 -0.95 -0.01 0.00 -0.45 0.00 0.00 34.95 33.44 1jk4 s ARG 66 CO 0.34 0.22 1.75 0.00 -0.68 0.00 0.00 175.30 176.93 1jk4 h ALA 68 N 12.90 0.13 -2.23 0.00 0.00 -0.88 -3.40 119.26 125.77 1jk4 h ALA 68 Ca -0.31 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 1jk4 h ALA 68 Cb 1.16 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jk4 h ALA 68 CO 1.07 1.00 0.01 0.00 0.00 0.00 0.00 179.25 181.33 1jk4 n ALA 69 N -2.59 -0.08 -1.71 0.00 0.00 -1.13 -3.95 120.51 111.06 1jk4 n ALA 69 Ca -0.11 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1jk4 n ALA 69 Cb 1.04 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.52 1jk4 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jk4 s ALA 70 N -1.23 3.20 -1.47 0.00 0.00 -1.26 -2.07 121.76 118.93 1jk4 s ALA 70 Ca 0.01 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1jk4 s ALA 70 Cb -0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1jk4 s ALA 70 CO 0.01 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1jk4 n GLY 71 N 5.04 1.41 3.05 0.00 0.00 -1.11 -4.98 105.19 108.60 1jk4 n GLY 71 Ca 0.24 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1jk4 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jk4 s ILE 72 N -2.41 1.34 -0.14 -0.61 1.01 -0.88 -2.24 121.20 117.28 1jk4 s ILE 72 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1jk4 s ILE 72 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1jk4 s ILE 72 CO 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 174.94 175.25 1jk4 n ASN 75 N 1.81 1.70 0.00 0.00 0.23 -0.32 -0.99 115.26 117.69 1jk4 n ASN 75 Ca -0.21 -0.54 0.07 0.00 -0.53 0.00 0.00 54.58 53.37 1jk4 n ASN 75 Cb 0.56 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.67 1jk4 n ASN 75 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1jk4 n ASP 76 N -0.70 0.00 0.00 0.53 3.85 -1.16 -3.69 116.55 115.38 1jk4 n ASP 76 Ca 0.00 -0.26 0.00 0.00 -0.71 0.00 0.00 54.79 53.82 1jk4 n ASP 76 Cb 0.00 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 1jk4 n ASP 76 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1jk4 n GLU 77 N -1.11 0.00 -3.52 0.11 0.28 -1.26 -3.87 120.64 111.27 1jk4 n GLU 77 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1jk4 n GLU 77 Cb 0.08 -0.35 -0.03 0.00 1.43 0.00 0.00 31.44 32.57 1jk4 n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1jk4 s SER 78 N 0.00 -0.44 -0.00 -1.84 1.04 -1.24 -5.10 113.70 106.12 1jk4 s SER 78 Ca 0.00 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1jk4 s SER 78 Cb 0.00 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1jk4 s SER 78 CO 0.00 -0.95 -0.05 0.00 0.98 0.00 0.00 173.24 173.21 1jk4 s VAL 80 N -0.15 0.18 -0.32 0.00 1.01 0.37 -4.98 120.40 116.51 1jk4 s VAL 80 Ca 0.02 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.22 1jk4 s VAL 80 Cb -0.02 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1jk4 s VAL 80 CO -0.00 -0.82 1.08 -0.89 0.00 0.00 0.00 175.10 174.46 1jk4 s THR 81 N -3.59 4.50 -0.22 3.92 2.01 -1.26 -0.98 115.64 120.03 1jk4 s THR 81 Ca 0.04 1.73 -0.01 0.00 0.31 0.00 0.00 61.69 63.75 1jk4 s THR 81 Cb 0.05 -4.42 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1jk4 s THR 81 CO -0.09 -0.49 0.01 -0.70 -0.69 0.00 0.00 174.62 172.66 1jk4 s GLU 82 N 3.66 0.98 0.61 4.92 2.56 -0.95 -4.93 118.70 125.56 1jk4 s GLU 82 Ca 0.45 -0.68 0.27 0.00 0.00 0.00 0.00 54.97 55.02 1jk4 s GLU 82 Cb -0.12 -2.27 1.33 0.00 2.00 0.00 0.00 34.13 35.07 1jk4 s GLU 82 CO 0.16 -0.66 1.74 -1.00 -0.56 0.00 0.00 175.26 174.94 1jk4 h PRO 83 N 8.13 0.00 0.00 4.30 0.13 -1.95 -0.04 132.00 142.57 1jk4 h PRO 83 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1jk4 h PRO 83 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jk4 h PRO 83 CO 0.37 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 1jk4 n GLU 84 N -3.41 0.79 0.00 0.86 1.02 -1.26 -4.86 120.64 113.77 1jk4 n GLU 84 Ca 0.09 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1jk4 n GLU 84 Cb 0.80 -1.38 0.06 0.00 -0.02 0.00 0.00 31.44 30.89 1jk4 n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31