#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jt4 s ALA 2 N 0.00 3.55 0.06 -5.12 0.00 -1.26 -4.99 121.76 114.00 2jt4 s ALA 2 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 2jt4 s ALA 2 Cb 0.00 -2.71 -0.14 0.00 0.00 0.00 0.00 23.12 20.26 2jt4 s ALA 2 CO 0.00 -0.73 1.44 1.03 0.00 0.00 0.00 175.76 177.50 2jt4 h SER 3 N 8.25 -1.05 0.00 0.00 0.87 -2.04 -3.46 113.55 116.12 2jt4 h SER 3 Ca -0.32 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2jt4 h SER 3 Cb 1.16 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2jt4 h SER 3 CO 0.64 -0.57 0.00 0.29 -0.53 0.00 0.00 176.83 176.67 2jt4 n LYS 4 N -4.86 0.00 0.00 2.24 5.02 -1.26 -5.06 118.16 114.24 2jt4 n LYS 4 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2jt4 n LYS 4 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2jt4 n LYS 4 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jt4 n SER 5 N -1.71 0.00 -4.11 4.39 2.88 -1.26 -5.11 113.62 108.71 2jt4 n SER 5 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 2jt4 n SER 5 Cb 0.00 0.14 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 2jt4 n SER 5 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jt4 s LYS 6 N -1.96 0.65 0.63 -1.46 1.02 -1.26 -5.09 119.74 112.27 2jt4 s LYS 6 Ca 0.00 -0.98 -0.07 0.00 0.02 0.00 0.00 55.97 54.94 2jt4 s LYS 6 Cb 0.00 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 2jt4 s LYS 6 CO 0.00 0.03 0.95 0.15 -0.92 0.00 0.00 175.35 175.56 2jt4 s LYS 7 N -2.42 2.83 -0.01 1.68 1.02 -0.74 -4.90 119.74 117.21 2jt4 s LYS 7 Ca -0.02 0.07 0.06 0.00 0.02 0.00 0.00 55.97 56.10 2jt4 s LYS 7 Cb -0.04 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2jt4 s LYS 7 CO -0.01 -0.83 -0.18 1.03 -0.92 0.00 0.00 175.35 174.44 2jt4 s ARG 8 N -5.10 1.45 0.20 1.68 0.52 -1.26 -0.18 118.95 116.26 2jt4 s ARG 8 Ca 0.55 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.99 2jt4 s ARG 8 Cb -0.11 -1.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.94 2jt4 s ARG 8 CO 0.46 0.39 0.33 0.20 0.02 0.00 0.00 175.30 176.71 2jt4 s GLY 9 N -0.51 0.60 -0.17 -3.53 0.00 0.58 -1.30 107.32 102.98 2jt4 s GLY 9 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 2jt4 s GLY 9 CO -0.00 -0.82 -0.10 -0.42 0.00 0.00 0.00 173.10 171.76 2jt4 s ILE 10 N -4.00 3.13 -0.26 0.90 1.09 0.44 -1.94 121.20 120.56 2jt4 s ILE 10 Ca 0.21 -0.61 -0.29 0.00 -1.10 0.00 0.00 60.65 58.87 2jt4 s ILE 10 Cb 0.02 -2.36 -0.00 0.00 -1.06 0.00 0.00 42.46 39.06 2jt4 s ILE 10 CO 0.04 0.49 1.29 0.54 -0.10 0.00 0.00 174.94 177.19 2jt4 s VAL 11 N 0.85 4.19 0.00 2.92 0.11 -1.23 -0.43 120.40 126.82 2jt4 s VAL 11 Ca -0.03 1.38 -0.06 0.00 -2.93 0.00 0.00 61.98 60.34 2jt4 s VAL 11 Cb -0.15 -4.11 -0.29 0.00 -1.53 0.00 0.00 36.38 30.30 2jt4 s VAL 11 CO 0.01 -0.37 0.87 1.56 -3.33 0.00 0.00 175.10 173.84 2jt4 h GLN 12 N 8.94 0.31 -5.97 1.54 1.08 -0.49 -0.48 115.11 120.04 2jt4 h GLN 12 Ca -0.26 -0.53 -0.55 0.00 -1.45 0.00 0.00 58.65 55.86 2jt4 h GLN 12 Cb 1.10 0.20 -0.24 0.00 -0.05 0.00 0.00 27.48 28.49 2jt4 h GLN 12 CO 1.01 1.20 -0.83 0.71 -0.95 0.00 0.00 178.83 179.97 2jt4 s TYR 13 N -2.61 1.70 0.53 2.96 2.02 -1.21 -4.70 117.35 116.04 2jt4 s TYR 13 Ca -0.10 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.01 2jt4 s TYR 13 Cb 0.06 -0.98 -0.06 0.00 -0.40 0.00 0.00 41.96 40.58 2jt4 s TYR 13 CO 0.87 0.12 1.13 -0.51 -1.57 0.00 0.00 175.55 175.59 2jt4 s ASP 14 N -1.45 5.81 -0.20 2.29 1.01 -1.26 -4.29 116.67 118.57 2jt4 s ASP 14 Ca 0.06 2.17 -0.04 0.00 0.71 0.00 0.00 52.55 55.45 2jt4 s ASP 14 Cb -0.09 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.35 2jt4 s ASP 14 CO 0.03 -1.16 0.20 0.12 0.21 0.00 0.00 175.17 174.57 2jt4 s PHE 15 N -1.76 -0.20 -0.49 4.23 5.36 -0.12 -4.94 117.98 120.06 2jt4 s PHE 15 Ca 0.72 0.13 -0.22 0.00 -0.96 0.00 0.00 56.93 56.59 2jt4 s PHE 15 Cb -0.24 -0.42 0.04 0.00 -0.34 0.00 0.00 43.02 42.06 2jt4 s PHE 15 CO 0.27 -0.59 0.77 -1.64 -1.46 0.00 0.00 175.22 172.57 2jt4 s MET 16 N 2.30 3.30 1.03 10.12 -1.94 -1.26 -2.06 119.30 130.78 2jt4 s MET 16 Ca 0.06 -0.37 -0.17 0.00 -1.71 0.00 0.00 55.69 53.50 2jt4 s MET 16 Cb -0.16 -4.01 0.22 0.00 2.01 0.00 0.00 34.83 32.89 2jt4 s MET 16 CO -0.12 -1.23 1.26 0.00 -0.01 0.00 0.00 175.02 174.92 2jt4 s ALA 17 N 3.27 1.77 0.00 3.03 0.00 -1.26 -5.02 121.76 123.55 2jt4 s ALA 17 Ca 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2jt4 s ALA 17 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2jt4 s ALA 17 CO 0.19 -2.75 0.00 -1.91 0.00 0.00 0.00 175.76 171.28 2jt4 n GLU 18 N -4.04 0.00 -2.28 0.00 4.07 -1.26 -4.99 120.64 112.13 2jt4 n GLU 18 Ca 0.14 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.99 2jt4 n GLU 18 Cb 0.59 -0.40 0.07 0.00 -0.06 0.00 0.00 31.44 31.64 2jt4 n GLU 18 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2jt4 s SER 19 N -3.08 4.86 0.33 4.31 0.01 -1.26 -4.97 113.70 113.89 2jt4 s SER 19 Ca 0.00 0.35 0.25 0.00 1.31 0.00 0.00 55.95 57.86 2jt4 s SER 19 Cb 0.00 -1.02 0.71 0.00 0.21 0.00 0.00 66.02 65.92 2jt4 s SER 19 CO 0.00 -1.54 1.73 1.56 0.41 0.00 0.00 173.24 175.40 2jt4 h GLN 20 N -0.49 0.00 -0.31 12.44 1.08 -2.03 -3.13 115.11 122.67 2jt4 h GLN 20 Ca -0.44 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.64 2jt4 h GLN 20 Cb 1.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 2jt4 h GLN 20 CO 0.58 0.00 -0.32 -0.44 -0.95 0.00 0.00 178.83 177.70 2jt4 h ASP 21 N 0.00 0.70 -3.56 1.46 5.19 -1.95 -3.45 116.42 114.81 2jt4 h ASP 21 Ca 0.00 -0.28 -0.52 0.00 -0.62 0.00 0.00 57.03 55.61 2jt4 h ASP 21 Cb 0.77 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 2jt4 h ASP 21 CO 0.00 0.97 0.01 -1.61 -3.12 0.00 0.00 179.24 175.49 2jt4 s GLU 22 N -4.41 3.98 -0.16 3.56 8.01 -1.18 -0.09 118.70 128.41 2jt4 s GLU 22 Ca -0.08 0.56 -0.02 0.00 0.01 0.00 0.00 54.97 55.44 2jt4 s GLU 22 Cb 0.13 -2.64 -0.02 0.00 -4.31 0.00 0.00 34.13 27.29 2jt4 s GLU 22 CO 0.83 0.29 -0.08 -1.17 0.01 0.00 0.00 175.26 175.14 2jt4 s LEU 23 N -2.62 2.96 -0.62 1.80 2.96 -0.82 -4.69 118.68 117.65 2jt4 s LEU 23 Ca 0.48 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.85 2jt4 s LEU 23 Cb -0.12 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 2jt4 s LEU 23 CO 0.19 0.13 1.65 -0.89 -1.32 0.00 0.00 176.35 176.11 2jt4 s THR 24 N 0.60 3.51 -0.01 3.68 2.01 -1.26 -4.64 115.64 119.53 2jt4 s THR 24 Ca -0.05 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 2jt4 s THR 24 Cb -0.15 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2jt4 s THR 24 CO 0.03 -1.15 0.11 0.27 -0.69 0.00 0.00 174.62 173.19 2jt4 s ILE 25 N 7.74 4.94 -0.14 1.82 -4.36 -0.88 -4.96 121.20 125.36 2jt4 s ILE 25 Ca 0.58 -0.32 -0.01 0.00 -0.26 0.00 0.00 60.65 60.64 2jt4 s ILE 25 Cb -0.12 -3.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 2jt4 s ILE 25 CO 0.21 0.35 -0.12 -0.54 0.24 0.00 0.00 174.94 175.08 2jt4 s LYS 26 N -1.76 3.37 -0.03 0.37 1.02 -1.26 -0.95 119.74 120.49 2jt4 s LYS 26 Ca 0.24 -0.68 -0.34 0.00 0.02 0.00 0.00 55.97 55.20 2jt4 s LYS 26 Cb -0.12 -2.67 -0.12 0.00 -0.52 0.00 0.00 37.83 34.40 2jt4 s LYS 26 CO 0.15 0.15 1.83 0.45 -0.92 0.00 0.00 175.35 177.00 2jt4 n SER 27 N 3.72 3.42 0.00 2.83 2.88 -1.26 -1.27 113.62 123.94 2jt4 n SER 27 Ca -0.18 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2jt4 n SER 27 Cb 0.52 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2jt4 n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jt4 n GLY 28 N 4.22 0.48 3.94 0.46 0.00 -0.19 -4.96 105.19 109.14 2jt4 n GLY 28 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2jt4 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jt4 s ASP 29 N -2.26 3.05 -0.22 1.61 -1.08 -0.40 -4.92 116.67 112.46 2jt4 s ASP 29 Ca 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 52.22 2jt4 s ASP 29 Cb 0.00 -0.24 -0.01 0.00 -1.46 0.00 0.00 42.92 41.21 2jt4 s ASP 29 CO 0.00 -2.77 -0.05 -0.54 0.52 0.00 0.00 175.17 172.33 2jt4 s LYS 30 N -5.90 3.37 -0.04 4.34 -0.14 -1.26 -3.56 119.74 116.55 2jt4 s LYS 30 Ca 0.75 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.79 2jt4 s LYS 30 Cb -0.03 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.12 2jt4 s LYS 30 CO 0.53 -0.18 -0.23 0.14 -0.76 0.00 0.00 175.35 174.85 2jt4 s VAL 31 N 1.43 1.83 -0.30 3.17 -7.23 -0.82 -1.13 120.40 117.35 2jt4 s VAL 31 Ca 0.05 -0.96 -0.22 0.00 -1.81 0.00 0.00 61.98 59.04 2jt4 s VAL 31 Cb -0.14 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 2jt4 s VAL 31 CO -0.03 0.52 0.73 -0.31 -0.31 0.00 0.00 175.10 175.69 2jt4 s TYR 32 N -0.29 3.22 -0.56 2.82 2.02 0.17 -0.31 117.35 124.41 2jt4 s TYR 32 Ca 0.02 0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 57.21 2jt4 s TYR 32 Cb -0.11 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2jt4 s TYR 32 CO 0.01 -0.51 1.10 0.42 -1.57 0.00 0.00 175.55 175.00 2jt4 s ILE 33 N 2.80 4.16 0.12 2.71 1.01 0.74 0.25 121.20 133.00 2jt4 s ILE 33 Ca 0.30 0.71 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 2jt4 s ILE 33 Cb -0.15 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.62 2jt4 s ILE 33 CO 0.12 -1.23 1.47 -0.07 0.00 0.00 0.00 174.94 175.22 2jt4 h LEU 34 N 11.53 0.86 -7.00 2.97 3.38 -0.95 -1.96 115.31 124.14 2jt4 h LEU 34 Ca -0.25 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 2jt4 h LEU 34 Cb 1.06 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 41.36 2jt4 h LEU 34 CO 1.15 1.12 0.20 -0.62 0.09 0.00 0.00 178.44 180.38 2jt4 s ASP 35 N -6.63 -0.69 -0.01 -0.43 -1.08 -1.18 -4.83 116.67 101.84 2jt4 s ASP 35 Ca -0.12 1.27 0.01 0.00 -0.52 0.00 0.00 52.55 53.20 2jt4 s ASP 35 Cb 0.10 1.27 0.02 0.00 -1.46 0.00 0.00 42.92 42.85 2jt4 s ASP 35 CO 0.85 -0.27 0.97 -0.90 0.52 0.00 0.00 175.17 176.34 2jt4 n ASP 36 N 2.42 0.14 0.00 -0.34 5.75 -1.26 -2.13 116.55 121.14 2jt4 n ASP 36 Ca -0.14 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2jt4 n ASP 36 Cb 0.55 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2jt4 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jt4 n LYS 37 N -0.08 1.82 0.23 0.11 4.76 -1.26 -4.72 118.16 119.02 2jt4 n LYS 37 Ca 0.01 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 2jt4 n LYS 37 Cb 0.68 -0.90 0.55 0.00 -1.84 0.00 0.00 35.03 33.51 2jt4 n LYS 37 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2jt4 h LYS 38 N 0.00 0.00 -4.77 1.97 1.79 -1.94 -3.42 116.57 110.20 2jt4 h LYS 38 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 2jt4 h LYS 38 Cb 0.81 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.21 2jt4 h LYS 38 CO 0.00 0.22 -0.76 -1.54 -1.08 0.00 0.00 179.45 176.29 2jt4 s SER 39 N -6.58 1.08 -0.02 0.86 1.04 -1.26 -5.03 113.70 103.79 2jt4 s SER 39 Ca -0.03 -0.39 0.16 0.00 0.48 0.00 0.00 55.95 56.17 2jt4 s SER 39 Cb 0.14 -0.04 -0.20 0.00 0.10 0.00 0.00 66.02 66.02 2jt4 s SER 39 CO 0.65 -0.05 0.61 1.17 0.98 0.00 0.00 173.24 176.61 2jt4 n LYS 40 N 2.02 0.64 -0.00 4.02 0.00 -1.26 -4.64 118.16 118.93 2jt4 n LYS 40 Ca -0.18 0.17 -0.00 0.00 0.00 0.00 0.00 58.31 58.29 2jt4 n LYS 40 Cb 0.56 -1.73 -0.00 0.00 0.00 0.00 0.00 35.03 33.86 2jt4 n LYS 40 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2jt4 h ASP 41 N 0.00 0.00 -3.15 3.14 2.03 -1.97 -3.44 116.42 113.03 2jt4 h ASP 41 Ca -0.26 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.38 2jt4 h ASP 41 Cb 1.78 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 40.14 2jt4 h ASP 41 CO 0.05 0.04 -0.58 0.26 -1.03 0.00 0.00 179.24 177.98 2jt4 s TRP 42 N -1.05 3.28 0.29 4.15 0.52 -1.26 -1.65 118.94 123.22 2jt4 s TRP 42 Ca -0.00 0.24 0.09 0.00 0.02 0.00 0.00 56.10 56.45 2jt4 s TRP 42 Cb 0.00 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2jt4 s TRP 42 CO 0.00 0.46 0.02 -1.58 0.02 0.00 0.00 176.95 175.87 2jt4 s TRP 43 N -0.67 2.66 -0.18 -1.98 0.51 0.55 -4.58 118.94 115.25 2jt4 s TRP 43 Ca 0.11 -0.29 -0.02 0.00 -2.12 0.00 0.00 56.10 53.79 2jt4 s TRP 43 Cb -0.12 -1.31 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 2jt4 s TRP 43 CO 0.02 0.55 -0.10 0.00 -0.51 0.00 0.00 176.95 176.92 2jt4 s MET 44 N -3.71 3.33 0.28 4.98 0.23 -0.90 0.03 119.30 123.54 2jt4 s MET 44 Ca 0.33 -0.68 0.07 0.00 -1.03 0.00 0.00 55.69 54.39 2jt4 s MET 44 Cb -0.05 -2.80 -0.06 0.00 -1.53 0.00 0.00 34.83 30.39 2jt4 s MET 44 CO 0.20 -0.04 -0.07 0.00 -2.03 0.00 0.00 175.02 173.08 2jt4 s GLN 46 N -3.70 0.95 0.09 0.00 0.74 0.14 -1.27 119.66 116.61 2jt4 s GLN 46 Ca 0.29 -0.05 -0.31 0.00 0.05 0.00 0.00 55.36 55.34 2jt4 s GLN 46 Cb 0.03 -1.13 -0.10 0.00 1.10 0.00 0.00 33.01 32.91 2jt4 s GLN 46 CO 0.12 -0.24 1.86 -0.51 -0.55 0.00 0.00 175.29 175.97 2jt4 s LEU 47 N 1.64 4.41 0.12 3.68 1.43 0.36 0.42 118.68 130.74 2jt4 s LEU 47 Ca 0.01 2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.63 2jt4 s LEU 47 Cb -0.13 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.48 2jt4 s LEU 47 CO -0.05 -1.01 1.77 0.58 0.23 0.00 0.00 176.35 177.87 2jt4 h VAL 48 N 4.97 1.07 -0.12 -1.59 2.07 -1.47 0.45 116.25 121.64 2jt4 h VAL 48 Ca -0.47 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 2jt4 h VAL 48 Cb 1.22 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2jt4 h VAL 48 CO 0.95 0.07 -0.65 -2.24 0.02 0.00 0.00 177.57 175.72 2jt4 h ASP 49 N 0.31 0.77 0.72 0.57 2.03 -1.90 -3.32 116.42 115.61 2jt4 h ASP 49 Ca 0.09 -0.65 -0.26 0.00 -0.73 0.00 0.00 57.03 55.48 2jt4 h ASP 49 Cb -0.02 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 38.23 2jt4 h ASP 49 CO -0.02 1.29 -1.31 0.28 -1.03 0.00 0.00 179.24 178.46 2jt4 h SER 50 N 0.30 0.12 -1.84 4.15 0.02 -1.93 -3.48 113.55 110.89 2jt4 h SER 50 Ca -0.05 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 2jt4 h SER 50 Cb 1.29 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.81 2jt4 h SER 50 CO 0.13 1.13 -0.21 0.61 -1.14 0.00 0.00 176.83 177.35 2jt4 n GLY 51 N 1.49 0.23 3.46 -3.77 0.00 0.16 -5.02 105.19 101.73 2jt4 n GLY 51 Ca -0.08 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2jt4 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jt4 s LYS 52 N -4.89 3.07 0.12 1.61 1.02 -1.23 -4.90 119.74 114.55 2jt4 s LYS 52 Ca 0.10 -0.64 0.10 0.00 0.02 0.00 0.00 55.97 55.55 2jt4 s LYS 52 Cb -0.04 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 2jt4 s LYS 52 CO 0.12 0.41 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.61 2jt4 s SER 53 N -0.16 3.56 0.01 2.83 0.01 -1.26 -0.49 113.70 118.20 2jt4 s SER 53 Ca 0.00 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.35 2jt4 s SER 53 Cb -0.13 -0.36 0.08 0.00 0.21 0.00 0.00 66.02 65.82 2jt4 s SER 53 CO 0.03 0.18 1.11 0.61 0.41 0.00 0.00 173.24 175.58 2jt4 n GLY 54 N 0.87 0.33 3.79 3.44 0.00 -0.40 -4.87 105.19 108.35 2jt4 n GLY 54 Ca -0.17 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2jt4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jt4 s LEU 55 N 0.00 4.43 0.05 0.99 2.01 0.88 -1.52 118.68 125.52 2jt4 s LEU 55 Ca 0.26 1.02 -0.00 0.00 0.01 0.00 0.00 54.13 55.42 2jt4 s LEU 55 Cb -0.01 -2.73 -0.04 0.00 0.01 0.00 0.00 46.19 43.42 2jt4 s LEU 55 CO 0.00 0.20 -0.04 0.68 1.01 0.00 0.00 176.35 178.21 2jt4 s VAL 56 N -0.54 0.32 0.21 -1.59 -7.23 0.10 -1.94 120.40 109.73 2jt4 s VAL 56 Ca 0.26 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 2jt4 s VAL 56 Cb -0.17 -1.28 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 2jt4 s VAL 56 CO 0.14 -0.85 1.53 -2.84 -0.31 0.00 0.00 175.10 172.78 2jt4 s PRO 57 N -3.33 4.22 0.54 4.82 0.02 -1.26 -0.33 135.00 139.67 2jt4 s PRO 57 Ca 0.03 2.38 0.23 0.00 0.02 0.00 0.00 61.00 63.66 2jt4 s PRO 57 Cb 0.03 -3.12 1.42 0.00 0.02 0.00 0.00 34.50 32.85 2jt4 s PRO 57 CO -0.07 -0.55 2.07 0.00 -0.33 0.00 0.00 177.00 178.12 2jt4 h ALA 58 N 5.97 2.18 0.00 -1.55 0.00 -1.60 -0.95 119.26 123.31 2jt4 h ALA 58 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jt4 h ALA 58 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jt4 h ALA 58 CO 0.86 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.78 2jt4 n GLN 59 N -4.29 0.79 0.00 0.00 6.02 -1.26 -3.06 117.38 115.58 2jt4 n GLN 59 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.08 2jt4 n GLN 59 Cb 0.38 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 2jt4 n GLN 59 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2jt4 n PHE 60 N -0.98 0.00 -5.26 1.08 3.01 -0.36 -4.84 117.46 110.11 2jt4 n PHE 60 Ca 0.18 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.33 2jt4 n PHE 60 Cb 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.39 2jt4 n PHE 60 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jt4 s ILE 61 N -1.53 2.01 -0.33 4.37 -1.09 -1.17 0.32 121.20 123.78 2jt4 s ILE 61 Ca 0.08 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.42 2jt4 s ILE 61 Cb 0.08 -1.68 0.07 0.00 -1.58 0.00 0.00 42.46 39.36 2jt4 s ILE 61 CO 0.30 0.56 0.04 -0.70 -1.23 0.00 0.00 174.94 173.92 2jt4 s GLU 62 N -0.42 2.23 0.18 2.79 2.56 0.43 -4.91 118.70 121.56 2jt4 s GLU 62 Ca 0.04 -1.45 -0.32 0.00 0.00 0.00 0.00 54.97 53.24 2jt4 s GLU 62 Cb -0.11 -3.26 -0.11 0.00 2.00 0.00 0.00 34.13 32.65 2jt4 s GLU 62 CO 0.01 -0.75 1.74 -1.25 -0.56 0.00 0.00 175.26 174.44 2jt4 s PRO 63 N 1.18 4.14 0.04 4.30 0.04 -1.26 -0.42 135.00 143.02 2jt4 s PRO 63 Ca -0.01 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2jt4 s PRO 63 Cb -0.20 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2jt4 s PRO 63 CO -0.03 -0.76 0.14 0.54 0.04 0.00 0.00 177.00 176.93 2jt4 s VAL 64 N 1.66 5.01 0.00 -0.36 0.11 -0.42 -4.90 120.40 121.49 2jt4 s VAL 64 Ca 0.76 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2jt4 s VAL 64 Cb -0.48 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 2jt4 s VAL 64 CO 0.33 0.21 0.00 -2.11 -3.33 0.00 0.00 175.10 170.20 2jt4 n ARG 65 N 0.63 0.00 -0.07 1.54 1.85 -1.26 -4.68 116.66 114.68 2jt4 n ARG 65 Ca -0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.54 2jt4 n ARG 65 Cb 0.52 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.80 2jt4 n ARG 65 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jt4 n ASP 66 N -0.78 1.99 -3.52 2.89 9.92 -1.26 -5.04 116.55 120.76 2jt4 n ASP 66 Ca 0.00 0.27 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 2jt4 n ASP 66 Cb 0.00 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 39.59 2jt4 n ASP 66 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2jt4 s LYS 67 N -2.47 0.85 0.00 -1.24 -2.85 -1.26 -5.03 119.74 107.73 2jt4 s LYS 67 Ca -0.28 -0.12 0.08 0.00 -1.00 0.00 0.00 55.97 54.65 2jt4 s LYS 67 Cb 0.07 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2jt4 s LYS 67 CO 0.66 -0.33 0.44 0.36 0.10 0.00 0.00 175.35 176.57 2jt4 n LYS 68 N 0.17 3.36 -2.88 1.78 2.85 -1.26 -4.94 118.16 117.23 2jt4 n LYS 68 Ca -0.12 -0.27 -0.41 0.00 -1.05 0.00 0.00 58.31 56.46 2jt4 n LYS 68 Cb 0.60 -0.94 -0.04 0.00 -0.65 0.00 0.00 35.03 34.01 2jt4 n LYS 68 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2jt4 s HIS 69 N -1.45 3.41 0.19 5.58 -3.43 -1.26 -4.99 115.29 113.34 2jt4 s HIS 69 Ca 0.05 1.26 -0.15 0.00 -0.80 0.00 0.00 55.06 55.42 2jt4 s HIS 69 Cb 0.06 -3.02 0.05 0.00 -1.43 0.00 0.00 32.58 28.24 2jt4 s HIS 69 CO 0.26 -0.25 0.73 -2.37 -2.00 0.00 0.00 174.74 171.10 2jt4 n THR 70 N 4.77 0.00 -0.75 -5.38 5.66 -1.26 -5.18 114.28 112.13 2jt4 n THR 70 Ca 0.05 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 2jt4 n THR 70 Cb 0.49 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 2jt4 n THR 70 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23