#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jx4 s VAL 3 N 0.00 3.51 -0.18 1.39 1.01 -0.04 -1.72 120.40 124.38 1jx4 s VAL 3 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1jx4 s VAL 3 Cb 0.00 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1jx4 s VAL 3 CO 0.00 0.56 -0.18 -0.22 0.00 0.00 0.00 175.10 175.26 1jx4 s LEU 4 N -0.27 2.11 -0.11 3.92 0.20 -0.15 -1.77 118.68 122.62 1jx4 s LEU 4 Ca 0.03 -0.67 -0.02 0.00 0.69 0.00 0.00 54.13 54.16 1jx4 s LEU 4 Cb -0.13 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 1jx4 s LEU 4 CO 0.03 -0.03 -0.02 0.12 -0.29 0.00 0.00 176.35 176.16 1jx4 s PHE 5 N 1.33 3.08 -0.11 5.38 5.36 0.18 0.08 117.98 133.29 1jx4 s PHE 5 Ca 0.04 0.01 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 1jx4 s PHE 5 Cb -0.13 -1.84 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1jx4 s PHE 5 CO -0.12 0.28 -0.22 0.08 -1.46 0.00 0.00 175.22 173.79 1jx4 s VAL 6 N -0.44 2.29 -0.19 3.12 1.01 -0.06 -1.14 120.40 125.00 1jx4 s VAL 6 Ca 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1jx4 s VAL 6 Cb -0.12 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1jx4 s VAL 6 CO 0.02 0.55 0.01 -0.62 0.00 0.00 0.00 175.10 175.07 1jx4 s ASP 7 N 0.33 2.94 0.37 3.32 -1.08 -0.13 -1.66 116.67 120.75 1jx4 s ASP 7 Ca -0.17 -0.80 -0.27 0.00 -0.52 0.00 0.00 52.55 50.79 1jx4 s ASP 7 Cb -0.17 -0.70 -0.09 0.00 -1.46 0.00 0.00 42.92 40.49 1jx4 s ASP 7 CO 0.08 -0.28 1.31 -0.36 0.52 0.00 0.00 175.17 176.44 1jx4 s PHE 8 N 1.78 2.92 0.15 -5.34 0.08 -0.51 -0.84 117.98 116.22 1jx4 s PHE 8 Ca -0.01 1.41 -0.30 0.00 0.12 0.00 0.00 56.93 58.15 1jx4 s PHE 8 Cb -0.17 -3.68 -0.07 0.00 -0.57 0.00 0.00 43.02 38.54 1jx4 s PHE 8 CO -0.07 -1.99 1.04 -0.51 -0.10 0.00 0.00 175.22 173.58 1jx4 s ASP 9 N -0.62 7.37 -0.34 1.36 1.01 -0.98 -3.95 116.67 120.51 1jx4 s ASP 9 Ca 0.53 1.96 -0.04 0.00 0.71 0.00 0.00 52.55 55.71 1jx4 s ASP 9 Cb -0.39 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 40.95 1jx4 s ASP 9 CO 0.51 -0.16 0.07 0.00 0.21 0.00 0.00 175.17 175.80 1jx4 n TYR 10 N 2.59 -0.32 -0.39 4.23 0.18 -1.26 -4.48 117.16 117.71 1jx4 n TYR 10 Ca 0.03 0.09 -0.10 0.00 1.88 0.00 0.00 57.90 59.80 1jx4 n TYR 10 Cb 0.47 -0.68 -0.08 0.00 -0.38 0.00 0.00 39.34 38.67 1jx4 n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1jx4 h PHE 11 N 0.90 -1.78 -0.70 -3.48 3.57 -1.95 -0.10 116.94 113.41 1jx4 h PHE 11 Ca -0.17 0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1jx4 h PHE 11 Cb 0.34 0.90 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 1jx4 h PHE 11 CO 0.11 -0.39 0.22 1.88 -2.23 0.00 0.00 178.31 177.90 1jx4 h TYR 12 N -0.04 1.11 -0.33 0.41 0.05 -1.96 -0.35 116.97 115.87 1jx4 h TYR 12 Ca 0.17 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.71 1jx4 h TYR 12 Cb 0.45 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1jx4 h TYR 12 CO -0.98 0.88 -0.34 0.00 -1.05 0.00 0.00 178.16 176.67 1jx4 h ALA 13 N 1.19 0.78 -0.57 3.88 0.00 -1.63 -2.04 119.26 120.87 1jx4 h ALA 13 Ca 0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1jx4 h ALA 13 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jx4 h ALA 13 CO -0.01 0.65 0.03 0.37 0.00 0.00 0.00 179.25 180.29 1jx4 h GLN 14 N 0.62 0.96 -0.59 0.00 4.15 -0.33 -2.01 115.11 117.91 1jx4 h GLN 14 Ca 0.06 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.22 1jx4 h GLN 14 Cb 0.87 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1jx4 h GLN 14 CO 0.08 0.93 0.38 0.28 -1.93 0.00 0.00 178.83 178.57 1jx4 h VAL 15 N 0.89 1.14 -0.68 2.39 2.07 -0.93 -0.23 116.25 120.89 1jx4 h VAL 15 Ca 0.17 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1jx4 h VAL 15 Cb 0.48 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1jx4 h VAL 15 CO 0.02 0.14 0.45 -0.33 0.02 0.00 0.00 177.57 177.88 1jx4 h GLU 16 N 0.78 0.83 -0.17 1.57 4.39 -0.95 -0.89 114.58 120.15 1jx4 h GLU 16 Ca 0.22 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 1jx4 h GLU 16 Cb -0.08 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1jx4 h GLU 16 CO -0.05 0.55 -0.37 0.93 -1.16 0.00 0.00 179.01 178.90 1jx4 h GLU 17 N 0.85 0.37 -0.28 2.33 5.08 -0.63 0.42 114.58 122.71 1jx4 h GLU 17 Ca 0.27 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1jx4 h GLU 17 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jx4 h GLU 17 CO -0.07 0.69 -0.53 0.28 -1.00 0.00 0.00 179.01 178.38 1jx4 h VAL 18 N 0.31 1.28 0.00 3.13 2.07 -0.02 -1.87 116.25 121.15 1jx4 h VAL 18 Ca 0.03 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1jx4 h VAL 18 Cb 0.80 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1jx4 h VAL 18 CO 0.06 0.56 -0.06 -0.07 0.02 0.00 0.00 177.57 178.08 1jx4 h LEU 19 N 0.63 0.00 -6.06 2.57 4.07 -0.98 -3.37 115.31 112.17 1jx4 h LEU 19 Ca 0.01 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.50 1jx4 h LEU 19 Cb 1.14 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.55 1jx4 h LEU 19 CO 0.12 0.06 -0.85 0.21 -1.08 0.00 0.00 178.44 176.90 1jx4 s ASN 20 N -5.94 0.80 0.64 -0.43 2.47 0.12 -5.01 114.94 107.58 1jx4 s ASN 20 Ca 0.03 -2.64 0.29 0.00 0.42 0.00 0.00 52.86 50.95 1jx4 s ASN 20 Cb 0.08 0.16 1.54 0.00 -1.45 0.00 0.00 41.25 41.58 1jx4 s ASN 20 CO 0.60 -0.15 1.90 -0.65 -3.72 0.00 0.00 177.10 175.07 1jx4 h PRO 21 N 5.63 0.00 0.00 0.43 0.11 -1.52 -0.38 132.00 136.28 1jx4 h PRO 21 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1jx4 h PRO 21 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1jx4 h PRO 21 CO 0.27 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.72 1jx4 h SER 22 N 0.00 0.00 1.28 -2.05 4.64 -1.95 -2.18 113.55 113.28 1jx4 h SER 22 Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1jx4 h SER 22 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1jx4 h SER 22 CO -0.00 0.00 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.76 1jx4 h LEU 23 N 0.00 0.00 -9.58 5.97 3.38 -1.37 -3.46 115.31 110.26 1jx4 h LEU 23 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1jx4 h LEU 23 Cb 0.19 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.04 1jx4 h LEU 23 CO 0.00 0.13 0.39 0.29 0.09 0.00 0.00 178.44 179.35 1jx4 n LYS 24 N -3.21 1.77 0.00 1.13 5.02 -0.82 -1.46 118.16 120.59 1jx4 n LYS 24 Ca 0.01 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1jx4 n LYS 24 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1jx4 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jx4 n GLY 25 N 1.39 2.77 3.79 0.72 0.00 -1.26 -5.01 105.19 107.60 1jx4 n GLY 25 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1jx4 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jx4 s LYS 26 N -0.08 2.89 0.12 1.61 1.02 -0.54 -5.00 119.74 119.77 1jx4 s LYS 26 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.85 1jx4 s LYS 26 Cb 0.00 -2.66 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 1jx4 s LYS 26 CO 0.00 0.50 1.34 -1.25 -0.92 0.00 0.00 175.35 175.02 1jx4 s PRO 27 N -2.96 4.35 -0.10 -1.68 0.04 -1.26 -4.81 135.00 128.59 1jx4 s PRO 27 Ca 0.31 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.37 1jx4 s PRO 27 Cb -0.10 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1jx4 s PRO 27 CO 0.23 -0.37 -0.10 0.08 0.04 0.00 0.00 177.00 176.87 1jx4 s VAL 28 N 0.93 1.14 -0.20 -0.36 1.01 -1.26 -0.98 120.40 120.68 1jx4 s VAL 28 Ca 0.62 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1jx4 s VAL 28 Cb -0.35 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1jx4 s VAL 28 CO 0.31 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.92 1jx4 s VAL 29 N 1.22 2.18 -0.23 2.92 1.01 0.75 -1.62 120.40 126.63 1jx4 s VAL 29 Ca -0.04 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1jx4 s VAL 29 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1jx4 s VAL 29 CO -0.03 0.45 0.32 -0.69 0.00 0.00 0.00 175.10 175.14 1jx4 s VAL 30 N 1.28 5.24 0.16 2.92 1.01 0.47 -0.81 120.40 130.67 1jx4 s VAL 30 Ca 0.03 0.50 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1jx4 s VAL 30 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1jx4 s VAL 30 CO -0.11 0.25 -0.21 0.00 0.00 0.00 0.00 175.10 175.02 1jx4 s VAL 32 N -1.39 3.98 -0.21 0.00 1.01 0.60 -4.41 120.40 119.98 1jx4 s VAL 32 Ca 0.19 -1.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.04 1jx4 s VAL 32 Cb -0.09 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1jx4 s VAL 32 CO 0.10 -0.75 0.96 -0.36 0.00 0.00 0.00 175.10 175.04 1jx4 s PHE 33 N 1.31 3.36 -0.59 5.22 0.08 -1.26 -1.56 117.98 124.55 1jx4 s PHE 33 Ca 0.06 1.37 0.24 0.00 0.12 0.00 0.00 56.93 58.73 1jx4 s PHE 33 Cb -0.25 -3.17 0.40 0.00 -0.57 0.00 0.00 43.02 39.43 1jx4 s PHE 33 CO -0.02 -0.40 1.42 0.66 -0.10 0.00 0.00 175.22 176.78 1jx4 h SER 34 N 7.45 0.00 0.00 1.36 4.64 -1.65 -3.48 113.55 121.87 1jx4 h SER 34 Ca -0.23 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1jx4 h SER 34 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1jx4 h SER 34 CO 0.92 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1jx4 n GLY 35 N 1.29 1.28 0.22 -0.77 0.00 -1.26 -4.69 105.19 101.26 1jx4 n GLY 35 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1jx4 n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jx4 h ARG 36 N 3.26 0.72 -3.44 1.61 3.08 -1.87 -3.47 114.38 114.27 1jx4 h ARG 36 Ca 0.00 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.57 1jx4 h ARG 36 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1jx4 h ARG 36 CO 0.00 0.97 0.09 -0.59 -1.07 0.00 0.00 179.97 179.38 1jx4 s PHE 37 N -4.45 0.51 -0.27 3.04 -0.12 -1.26 -4.99 117.98 110.44 1jx4 s PHE 37 Ca -0.12 -1.01 -0.31 0.00 -0.05 0.00 0.00 56.93 55.44 1jx4 s PHE 37 Cb 0.09 0.48 -0.08 0.00 -0.63 0.00 0.00 43.02 42.88 1jx4 s PHE 37 CO 0.83 -1.42 2.21 -1.91 -0.05 0.00 0.00 175.22 174.88 1jx4 n GLU 38 N -0.55 1.61 -1.18 1.99 4.07 -1.26 -1.56 120.64 123.75 1jx4 n GLU 38 Ca -0.05 0.44 -0.06 0.00 -0.06 0.00 0.00 57.16 57.43 1jx4 n GLU 38 Cb 0.60 -2.93 -0.03 0.00 -0.06 0.00 0.00 31.44 29.03 1jx4 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jx4 n ASP 39 N 10.97 -3.91 -4.78 4.31 8.00 -1.26 -4.98 116.55 124.91 1jx4 n ASP 39 Ca 0.34 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.63 1jx4 n ASP 39 Cb 0.36 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.12 39.47 1jx4 n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jx4 s SER 40 N -2.80 6.46 0.00 -2.24 1.04 -0.60 -3.85 113.70 111.71 1jx4 s SER 40 Ca 0.00 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1jx4 s SER 40 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1jx4 s SER 40 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1jx4 n GLY 41 N 0.42 0.87 3.14 7.32 0.00 -1.26 -1.59 105.19 114.09 1jx4 n GLY 41 Ca 0.06 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1jx4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jx4 s ALA 42 N -1.17 0.80 -0.03 4.61 0.00 -0.60 -2.04 121.76 123.33 1jx4 s ALA 42 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 1jx4 s ALA 42 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1jx4 s ALA 42 CO 0.00 -0.35 1.05 0.08 0.00 0.00 0.00 175.76 176.54 1jx4 s VAL 43 N -3.83 4.65 -0.05 0.00 1.01 -0.17 -0.30 120.40 121.72 1jx4 s VAL 43 Ca 0.13 1.91 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 1jx4 s VAL 43 Cb 0.07 -4.23 -0.31 0.00 0.00 0.00 0.00 36.38 31.91 1jx4 s VAL 43 CO -0.05 0.08 0.73 0.00 0.00 0.00 0.00 175.10 175.87 1jx4 h ALA 44 N 6.98 0.06 -2.02 5.51 0.00 -0.53 0.19 119.26 129.45 1jx4 h ALA 44 Ca -0.37 -1.01 0.13 0.00 0.00 0.00 0.00 54.91 53.66 1jx4 h ALA 44 Cb 1.19 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 19.17 1jx4 h ALA 44 CO 0.81 0.81 0.55 -0.08 0.00 0.00 0.00 179.25 181.34 1jx4 s THR 45 N -2.53 0.00 0.08 0.00 -1.32 -1.05 -4.54 115.64 106.28 1jx4 s THR 45 Ca -0.15 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.34 1jx4 s THR 45 Cb 0.04 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1jx4 s THR 45 CO 0.84 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 173.19 1jx4 s ALA 46 N -2.63 0.84 0.99 11.08 0.00 -1.26 -0.39 121.76 130.39 1jx4 s ALA 46 Ca 0.04 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 1jx4 s ALA 46 Cb -0.01 0.13 0.21 0.00 0.00 0.00 0.00 23.12 23.45 1jx4 s ALA 46 CO -0.06 -0.18 1.29 0.54 0.00 0.00 0.00 175.76 177.35 1jx4 s ASN 47 N -2.64 2.87 0.45 0.00 2.20 -0.64 -4.77 114.94 112.42 1jx4 s ASN 47 Ca 0.06 0.33 0.23 0.00 -0.94 0.00 0.00 52.86 52.53 1jx4 s ASN 47 Cb 0.01 -0.40 1.05 0.00 -2.00 0.00 0.00 41.25 39.91 1jx4 s ASN 47 CO -0.04 -2.89 1.90 1.88 -2.94 0.00 0.00 177.10 175.02 1jx4 h TYR 48 N -1.75 0.00 -0.47 1.54 -1.99 -1.95 -1.63 116.97 110.72 1jx4 h TYR 48 Ca -0.45 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.23 1jx4 h TYR 48 Cb 1.24 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.95 1jx4 h TYR 48 CO -1.24 0.23 0.07 0.93 -0.00 0.00 0.00 178.16 178.15 1jx4 h GLU 49 N 0.00 0.74 -0.03 4.88 3.07 -1.92 -1.81 114.58 119.51 1jx4 h GLU 49 Ca -0.00 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.36 58.51 1jx4 h GLU 49 Cb 0.61 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1jx4 h GLU 49 CO 0.03 0.70 -0.73 0.00 -1.40 0.00 0.00 179.01 177.61 1jx4 h ALA 50 N 1.37 0.13 -0.36 3.43 0.00 -1.69 -3.34 119.26 118.80 1jx4 h ALA 50 Ca 0.15 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1jx4 h ALA 50 Cb 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jx4 h ALA 50 CO 0.01 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.87 1jx4 h ARG 51 N 0.13 0.51 -0.96 0.00 3.08 -1.06 -1.89 114.38 114.19 1jx4 h ARG 51 Ca -0.08 -0.07 0.26 0.00 0.07 0.00 0.00 59.98 60.16 1jx4 h ARG 51 Cb 1.41 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 1jx4 h ARG 51 CO 0.15 0.44 0.67 0.87 -1.07 0.00 0.00 179.97 181.02 1jx4 h LYS 52 N 0.51 0.12 -0.41 0.04 1.57 -1.45 0.23 116.57 117.18 1jx4 h LYS 52 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1jx4 h LYS 52 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jx4 h LYS 52 CO -0.01 0.08 0.00 1.19 -0.57 0.00 0.00 179.45 180.14 1jx4 n PHE 53 N -4.34 0.53 0.00 -1.35 3.72 -0.74 -4.94 117.46 110.34 1jx4 n PHE 53 Ca 0.21 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1jx4 n PHE 53 Cb 0.95 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 1jx4 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jx4 n GLY 54 N 1.47 0.60 3.56 1.37 0.00 0.81 -5.01 105.19 107.99 1jx4 n GLY 54 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jx4 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jx4 s VAL 55 N -2.00 4.87 0.20 1.61 1.01 -1.03 -4.98 120.40 120.08 1jx4 s VAL 55 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 1jx4 s VAL 55 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1jx4 s VAL 55 CO 0.00 -0.37 0.31 -1.59 0.00 0.00 0.00 175.10 173.44 1jx4 s LYS 56 N 2.76 1.30 0.12 2.72 -2.85 -1.26 -2.96 119.74 119.57 1jx4 s LYS 56 Ca 0.25 -1.33 -0.35 0.00 -1.00 0.00 0.00 55.97 53.54 1jx4 s LYS 56 Cb -0.14 0.38 -0.16 0.00 -2.06 0.00 0.00 37.83 35.84 1jx4 s LYS 56 CO 0.16 -0.49 1.25 0.00 0.10 0.00 0.00 175.35 176.36 1jx4 n ALA 57 N -0.28 -0.97 0.00 0.59 0.00 -1.26 -3.01 120.51 115.58 1jx4 n ALA 57 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1jx4 n ALA 57 Cb 0.63 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1jx4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jx4 n GLY 58 N 2.26 2.15 3.85 0.00 0.00 0.67 -4.98 105.19 109.13 1jx4 n GLY 58 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1jx4 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jx4 s ILE 59 N -2.32 4.45 0.46 -0.61 -4.36 -1.16 -4.67 121.20 112.98 1jx4 s ILE 59 Ca 0.00 0.97 -0.24 0.00 -0.26 0.00 0.00 60.65 61.12 1jx4 s ILE 59 Cb 0.00 -3.69 -0.07 0.00 1.25 0.00 0.00 42.46 39.94 1jx4 s ILE 59 CO 0.00 -0.87 1.30 -2.84 0.24 0.00 0.00 174.94 172.77 1jx4 s PRO 60 N -4.63 3.66 0.24 0.37 0.02 -1.26 -1.00 135.00 132.40 1jx4 s PRO 60 Ca 0.58 2.11 -0.07 0.00 0.02 0.00 0.00 61.00 63.65 1jx4 s PRO 60 Cb -0.12 -2.52 0.27 0.00 0.02 0.00 0.00 34.50 32.15 1jx4 s PRO 60 CO 0.44 -0.73 1.88 0.82 -0.33 0.00 0.00 177.00 179.08 1jx4 h ILE 61 N 2.02 1.14 -0.28 2.83 2.04 -1.62 -0.13 117.51 123.52 1jx4 h ILE 61 Ca -0.50 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1jx4 h ILE 61 Cb 1.26 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1jx4 h ILE 61 CO 0.60 0.20 0.19 0.58 0.00 0.00 0.00 178.15 179.72 1jx4 h VAL 62 N 1.11 1.04 -0.07 1.67 2.07 -1.84 -0.98 116.25 119.24 1jx4 h VAL 62 Ca 0.35 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.57 1jx4 h VAL 62 Cb 0.01 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1jx4 h VAL 62 CO -0.12 0.06 -0.72 -0.33 0.02 0.00 0.00 177.57 176.49 1jx4 h GLU 63 N 0.32 0.61 -0.67 1.57 4.39 -1.43 -2.71 114.58 116.66 1jx4 h GLU 63 Ca 0.11 -0.56 0.09 0.00 0.34 0.00 0.00 59.36 59.33 1jx4 h GLU 63 Cb 0.04 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 1jx4 h GLU 63 CO -0.02 1.18 0.32 0.00 -1.16 0.00 0.00 179.01 179.33 1jx4 h ALA 64 N 0.44 0.91 0.00 3.43 0.00 -0.59 -1.57 119.26 121.88 1jx4 h ALA 64 Ca -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jx4 h ALA 64 Cb 1.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1jx4 h ALA 64 CO 0.14 -0.07 -0.22 0.87 0.00 0.00 0.00 179.25 179.98 1jx4 h LYS 65 N 0.56 0.00 -0.16 0.00 1.57 -1.16 0.26 116.57 117.64 1jx4 h LYS 65 Ca 0.33 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.97 1jx4 h LYS 65 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1jx4 h LYS 65 CO -0.26 0.22 -0.50 0.87 -0.57 0.00 0.00 179.45 179.21 1jx4 h LYS 66 N 0.00 0.43 0.02 3.15 1.57 -0.97 -1.85 116.57 118.91 1jx4 h LYS 66 Ca -0.00 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1jx4 h LYS 66 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jx4 h LYS 66 CO 0.03 0.83 -0.17 0.82 -0.57 0.00 0.00 179.45 180.39 1jx4 h ILE 67 N 0.34 1.65 -2.34 1.86 2.04 -0.97 -3.40 117.51 116.68 1jx4 h ILE 67 Ca 0.01 -2.13 -0.59 0.00 1.00 0.00 0.00 64.86 63.15 1jx4 h ILE 67 Cb 1.00 3.06 -0.41 0.00 -0.74 0.00 0.00 36.82 39.73 1jx4 h ILE 67 CO 0.09 0.57 -0.75 0.18 0.00 0.00 0.00 178.15 178.24 1jx4 n LEU 68 N -4.54 2.36 0.31 1.44 4.77 0.02 -4.96 117.00 116.39 1jx4 n LEU 68 Ca -0.10 -5.12 0.19 0.00 -0.03 0.00 0.00 56.01 50.95 1jx4 n LEU 68 Cb 0.50 -0.26 1.05 0.00 -2.33 0.00 0.00 43.42 42.38 1jx4 n LEU 68 CO 0.37 1.98 1.16 1.55 -1.33 0.00 0.00 177.39 181.12 1jx4 h PRO 69 N 4.52 0.00 -0.63 3.23 0.13 -1.55 -2.29 132.00 135.41 1jx4 h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1jx4 h PRO 69 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1jx4 h PRO 69 CO 0.68 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.54 1jx4 n ASN 70 N -3.38 3.80 -4.68 1.44 3.02 -1.26 -4.97 115.26 109.23 1jx4 n ASN 70 Ca -0.02 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.24 1jx4 n ASN 70 Cb 0.13 -0.42 0.18 0.00 -0.61 0.00 0.00 39.78 39.06 1jx4 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jx4 s ALA 71 N -1.13 0.95 -0.24 5.41 0.00 -0.86 -4.99 121.76 120.89 1jx4 s ALA 71 Ca 0.46 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 1jx4 s ALA 71 Cb 0.24 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1jx4 s ALA 71 CO 0.32 -2.85 0.57 0.08 0.00 0.00 0.00 175.76 173.89 1jx4 s VAL 72 N -2.97 5.04 -0.23 0.00 1.01 -0.15 -4.97 120.40 118.13 1jx4 s VAL 72 Ca 0.65 1.02 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 1jx4 s VAL 72 Cb -0.19 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1jx4 s VAL 72 CO 0.58 0.08 0.03 -0.31 0.00 0.00 0.00 175.10 175.48 1jx4 s TYR 73 N 2.21 3.04 0.07 5.22 2.02 -1.26 -0.18 117.35 128.48 1jx4 s TYR 73 Ca 0.24 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1jx4 s TYR 73 Cb -0.16 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1jx4 s TYR 73 CO 0.09 -0.40 -0.21 -0.51 -1.57 0.00 0.00 175.55 172.95 1jx4 s LEU 74 N 1.49 2.22 0.00 -1.29 1.43 0.01 -4.98 118.68 117.56 1jx4 s LEU 74 Ca 0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1jx4 s LEU 74 Cb -0.15 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1jx4 s LEU 74 CO 0.01 0.13 0.00 -0.81 0.23 0.00 0.00 176.35 175.91 1jx4 n PRO 75 N 1.54 0.00 -2.67 1.29 -0.04 -1.26 0.01 135.00 133.87 1jx4 n PRO 75 Ca -0.18 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 1jx4 n PRO 75 Cb 0.53 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.06 1jx4 n PRO 75 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jx4 n ARG 77 N 0.00 0.16 -0.24 0.54 1.74 -1.26 -4.74 116.66 112.86 1jx4 n ARG 77 Ca 0.00 -0.76 0.05 0.00 -0.77 0.00 0.00 57.85 56.37 1jx4 n ARG 77 Cb 0.00 -0.28 0.17 0.00 -1.02 0.00 0.00 32.46 31.33 1jx4 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1jx4 h LYS 78 N 3.27 0.27 -0.87 5.56 1.63 -2.01 -1.83 116.57 122.59 1jx4 h LYS 78 Ca -0.21 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1jx4 h LYS 78 Cb 1.19 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 1jx4 h LYS 78 CO -0.16 0.18 0.56 0.93 -3.45 0.00 0.00 179.45 177.51 1jx4 h GLU 79 N 0.27 1.15 -0.38 1.90 3.07 -2.04 0.26 114.58 118.82 1jx4 h GLU 79 Ca 0.40 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 1jx4 h GLU 79 Cb 0.67 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1jx4 h GLU 79 CO -0.49 0.78 0.12 0.28 -1.40 0.00 0.00 179.01 178.29 1jx4 h VAL 80 N 1.18 1.21 -0.07 3.13 2.07 -1.79 -0.59 116.25 121.40 1jx4 h VAL 80 Ca 0.32 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1jx4 h VAL 80 Cb -0.11 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1jx4 h VAL 80 CO -0.07 0.24 -0.50 1.88 0.02 0.00 0.00 177.57 179.15 1jx4 h TYR 81 N 0.47 0.21 -0.46 1.57 0.05 -0.72 -0.76 116.97 117.34 1jx4 h TYR 81 Ca 0.12 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 1jx4 h TYR 81 Cb 0.26 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1jx4 h TYR 81 CO 0.01 0.64 -0.18 0.37 -1.05 0.00 0.00 178.16 177.95 1jx4 h GLN 82 N 0.14 0.94 -0.52 4.88 5.75 -0.35 0.23 115.11 126.18 1jx4 h GLN 82 Ca 0.00 -0.39 -0.07 0.00 -0.15 0.00 0.00 58.65 58.04 1jx4 h GLN 82 Cb 0.93 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 1jx4 h GLN 82 CO 0.07 1.06 0.03 1.96 -2.65 0.00 0.00 178.83 179.30 1jx4 h GLN 83 N 0.78 0.89 -0.59 1.69 4.20 -0.64 -0.81 115.11 120.63 1jx4 h GLN 83 Ca 0.11 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1jx4 h GLN 83 Cb 0.75 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1jx4 h GLN 83 CO 0.06 0.90 0.04 0.28 -0.67 0.00 0.00 178.83 179.44 1jx4 h VAL 84 N 0.76 1.26 -0.46 -0.54 2.07 -0.91 -2.65 116.25 115.78 1jx4 h VAL 84 Ca 0.15 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1jx4 h VAL 84 Cb 0.48 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1jx4 h VAL 84 CO 0.02 0.39 0.29 -1.28 0.02 0.00 0.00 177.57 177.01 1jx4 h SER 85 N 0.92 0.50 -0.81 0.57 0.87 -0.17 -2.05 113.55 113.38 1jx4 h SER 85 Ca 0.18 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1jx4 h SER 85 Cb 0.48 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1jx4 h SER 85 CO 0.02 0.36 0.49 0.28 -0.53 0.00 0.00 176.83 177.44 1jx4 h SER 86 N 0.60 0.76 -0.74 6.23 0.02 -0.97 -1.11 113.55 118.34 1jx4 h SER 86 Ca 0.18 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1jx4 h SER 86 Cb -0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1jx4 h SER 86 CO -0.06 0.48 0.28 0.03 -1.14 0.00 0.00 176.83 176.43 1jx4 h ARG 87 N 0.89 1.11 -1.77 3.45 3.08 -1.12 -2.22 114.38 117.80 1jx4 h ARG 87 Ca 0.35 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1jx4 h ARG 87 Cb 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jx4 h ARG 87 CO -0.18 0.92 0.00 -0.89 -1.07 0.00 0.00 179.97 178.75 1jx4 n ILE 88 N -4.32 0.58 0.00 2.04 5.41 -0.42 -2.48 119.36 120.17 1jx4 n ILE 88 Ca 0.06 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1jx4 n ILE 88 Cb 0.19 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1jx4 n ILE 88 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1jx4 n ASN 90 N 1.23 0.00 -0.17 4.38 3.02 -0.84 -2.05 115.26 120.83 1jx4 n ASN 90 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1jx4 n ASN 90 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1jx4 n ASN 90 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1jx4 h LEU 91 N 0.00 1.02 -1.50 3.41 3.38 -1.78 -3.08 115.31 116.77 1jx4 h LEU 91 Ca 0.00 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1jx4 h LEU 91 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jx4 h LEU 91 CO 0.00 1.18 -0.09 -0.07 0.09 0.00 0.00 178.44 179.55 1jx4 h LEU 92 N 0.86 0.20 -2.15 1.67 3.38 -1.72 -2.69 115.31 114.86 1jx4 h LEU 92 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jx4 h LEU 92 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jx4 h LEU 92 CO 0.06 0.32 0.11 0.03 0.09 0.00 0.00 178.44 179.05 1jx4 h ARG 93 N 0.21 0.00 0.00 1.13 3.08 -1.80 -0.82 114.38 116.18 1jx4 h ARG 93 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jx4 h ARG 93 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jx4 h ARG 93 CO 0.01 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.84 1jx4 h GLU 94 N 0.00 0.00 -0.00 0.04 4.39 -1.62 -3.29 114.58 114.10 1jx4 h GLU 94 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jx4 h GLU 94 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1jx4 h GLU 94 CO 0.00 0.00 -0.72 0.66 -1.16 0.00 0.00 179.01 177.79 1jx4 n TYR 95 N -3.04 0.00 -3.64 4.33 4.01 -0.31 -4.97 117.16 113.53 1jx4 n TYR 95 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1jx4 n TYR 95 Cb 0.49 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.37 1jx4 n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jx4 s SER 96 N -2.88 -0.24 0.38 7.72 0.15 -1.24 -4.95 113.70 112.65 1jx4 s SER 96 Ca 0.12 0.45 0.20 0.00 0.70 0.00 0.00 55.95 57.42 1jx4 s SER 96 Cb 0.17 0.46 0.25 0.00 -1.71 0.00 0.00 66.02 65.18 1jx4 s SER 96 CO 0.75 -0.09 1.55 -0.33 1.20 0.00 0.00 173.24 176.32 1jx4 h GLU 97 N 3.57 0.00 -4.66 5.44 3.07 -1.88 -3.41 114.58 116.71 1jx4 h GLU 97 Ca -0.27 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 57.88 1jx4 h GLU 97 Cb 1.19 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.90 1jx4 h GLU 97 CO 0.15 0.18 0.33 0.15 -1.40 0.00 0.00 179.01 178.43 1jx4 s LYS 98 N -3.12 3.31 -0.02 2.33 1.02 -1.26 -5.01 119.74 116.99 1jx4 s LYS 98 Ca 0.06 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.42 1jx4 s LYS 98 Cb 0.06 -4.47 0.02 0.00 -0.52 0.00 0.00 37.83 32.91 1jx4 s LYS 98 CO 0.70 -1.57 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.04 1jx4 s ILE 99 N 2.27 0.23 -0.37 2.17 2.07 -1.26 -1.78 121.20 124.54 1jx4 s ILE 99 Ca 0.19 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1jx4 s ILE 99 Cb -0.16 -0.28 0.08 0.00 0.13 0.00 0.00 42.46 42.23 1jx4 s ILE 99 CO -0.01 0.13 0.13 -0.70 -1.91 0.00 0.00 174.94 172.58 1jx4 s GLU 100 N 0.68 2.24 -0.58 3.50 2.12 0.09 -4.08 118.70 122.67 1jx4 s GLU 100 Ca -0.07 -1.55 -0.26 0.00 0.36 0.00 0.00 54.97 53.45 1jx4 s GLU 100 Cb -0.10 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.88 1jx4 s GLU 100 CO -0.01 -0.87 1.09 0.42 -0.54 0.00 0.00 175.26 175.35 1jx4 s ILE 101 N 1.22 4.15 0.10 -3.70 1.01 -1.26 -1.03 121.20 121.69 1jx4 s ILE 101 Ca 0.02 0.60 0.09 0.00 0.00 0.00 0.00 60.65 61.37 1jx4 s ILE 101 Cb -0.21 -4.66 -0.15 0.00 0.01 0.00 0.00 42.46 37.45 1jx4 s ILE 101 CO -0.02 -1.28 1.35 0.00 0.00 0.00 0.00 174.94 174.99 1jx4 h ALA 102 N 9.48 0.48 -1.90 9.38 0.00 -1.52 -3.43 119.26 131.74 1jx4 h ALA 102 Ca -0.26 -0.80 0.02 0.00 0.00 0.00 0.00 54.91 53.87 1jx4 h ALA 102 Cb 1.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jx4 h ALA 102 CO 1.15 1.10 0.09 -1.13 0.00 0.00 0.00 179.25 180.46 1jx4 n SER 103 N -3.39 -0.36 0.29 0.00 3.41 -1.16 -4.95 113.62 107.45 1jx4 n SER 103 Ca 0.00 -1.22 0.20 0.00 -0.26 0.00 0.00 58.87 57.59 1jx4 n SER 103 Cb 0.87 0.60 0.98 0.00 -0.26 0.00 0.00 64.21 66.39 1jx4 n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1jx4 h ILE 104 N 1.19 0.00 0.00 -1.33 2.10 -2.01 -3.18 117.51 114.28 1jx4 h ILE 104 Ca -0.06 -0.15 -0.09 0.00 1.08 0.00 0.00 64.86 65.65 1jx4 h ILE 104 Cb 0.23 1.08 -0.18 0.00 -1.09 0.00 0.00 36.82 36.85 1jx4 h ILE 104 CO 0.07 0.00 -0.72 -0.90 -1.08 0.00 0.00 178.15 175.52 1jx4 n ASP 105 N -2.95 0.74 -3.91 2.19 5.75 -1.26 -4.80 116.55 112.31 1jx4 n ASP 105 Ca -0.02 -2.21 -0.15 0.00 -0.01 0.00 0.00 54.79 52.41 1jx4 n ASP 105 Cb 0.14 -0.29 -0.15 0.00 -1.03 0.00 0.00 41.12 39.80 1jx4 n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jx4 s GLU 106 N -0.41 0.28 -0.04 0.11 2.02 -1.20 -1.42 118.70 118.03 1jx4 s GLU 106 Ca 0.21 -0.09 -0.07 0.00 0.02 0.00 0.00 54.97 55.04 1jx4 s GLU 106 Cb 0.23 -0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.17 1jx4 s GLU 106 CO -0.08 0.04 0.17 0.00 0.02 0.00 0.00 175.26 175.41 1jx4 s ALA 107 N 0.09 -0.43 -0.11 5.21 0.00 -0.66 -1.17 121.76 124.69 1jx4 s ALA 107 Ca -0.01 0.30 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1jx4 s ALA 107 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1jx4 s ALA 107 CO -0.00 -0.13 -0.10 0.71 0.00 0.00 0.00 175.76 176.24 1jx4 s TYR 108 N -0.44 2.87 -0.07 0.00 2.02 -0.20 -0.88 117.35 120.64 1jx4 s TYR 108 Ca -0.05 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1jx4 s TYR 108 Cb -0.04 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1jx4 s TYR 108 CO 0.01 0.01 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.24 1jx4 s LEU 109 N -0.06 2.07 -0.47 -1.29 1.02 0.11 -0.73 118.68 119.32 1jx4 s LEU 109 Ca -0.01 -0.52 -0.19 0.00 0.02 0.00 0.00 54.13 53.43 1jx4 s LEU 109 Cb -0.14 -1.37 0.04 0.00 0.02 0.00 0.00 46.19 44.75 1jx4 s LEU 109 CO 0.03 0.21 0.57 -0.62 0.02 0.00 0.00 176.35 176.56 1jx4 s ASP 110 N 0.05 6.23 -0.15 2.29 -1.08 -0.73 -0.98 116.67 122.29 1jx4 s ASP 110 Ca -0.10 -0.76 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 1jx4 s ASP 110 Cb -0.15 -2.27 0.57 0.00 -1.46 0.00 0.00 42.92 39.61 1jx4 s ASP 110 CO 0.06 -0.77 1.49 2.30 0.52 0.00 0.00 175.17 178.76 1jx4 n ILE 111 N 5.59 2.11 -0.26 4.11 -5.35 -0.70 -4.65 119.36 120.21 1jx4 n ILE 111 Ca -0.06 -1.56 0.05 0.00 -0.27 0.00 0.00 62.75 60.91 1jx4 n ILE 111 Cb 0.46 -0.09 0.19 0.00 -1.74 0.00 0.00 39.64 38.46 1jx4 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1jx4 h SER 112 N 2.55 0.35 0.34 7.28 0.02 -1.85 0.12 113.55 122.36 1jx4 h SER 112 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jx4 h SER 112 Cb 1.43 0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1jx4 h SER 112 CO 0.24 0.14 -0.02 0.47 -1.14 0.00 0.00 176.83 176.52 1jx4 n ASP 113 N -4.96 0.14 -0.08 3.07 8.00 -1.26 -4.01 116.55 117.44 1jx4 n ASP 113 Ca 0.14 -0.53 -0.07 0.00 0.71 0.00 0.00 54.79 55.05 1jx4 n ASP 113 Cb 0.40 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 41.20 1jx4 n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jx4 n LYS 114 N -1.09 0.84 -4.33 -1.24 4.76 0.35 -5.01 118.16 112.44 1jx4 n LYS 114 Ca 0.17 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 1jx4 n LYS 114 Cb 0.21 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 1jx4 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jx4 s VAL 115 N -2.59 1.57 -0.12 -0.18 -7.23 -0.73 -5.06 120.40 106.07 1jx4 s VAL 115 Ca -0.09 -2.16 0.19 0.00 -1.81 0.00 0.00 61.98 58.11 1jx4 s VAL 115 Cb 0.07 -2.04 -0.23 0.00 0.56 0.00 0.00 36.38 34.73 1jx4 s VAL 115 CO 0.79 -0.60 0.48 0.54 -0.31 0.00 0.00 175.10 176.00 1jx4 n ARG 116 N -0.35 0.66 -2.54 4.82 1.74 -1.26 -4.78 116.66 114.94 1jx4 n ARG 116 Ca -0.08 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 1jx4 n ARG 116 Cb 0.61 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1jx4 n ARG 116 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1jx4 n ASP 117 N -2.62 -0.95 0.21 0.55 5.68 -1.26 -5.04 116.55 113.11 1jx4 n ASP 117 Ca -0.15 -1.86 0.07 0.00 -0.50 0.00 0.00 54.79 52.35 1jx4 n ASP 117 Cb 0.83 1.64 0.45 0.00 -1.14 0.00 0.00 41.12 42.91 1jx4 n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1jx4 h TYR 118 N 1.50 0.00 -0.25 2.11 0.05 -1.98 -0.75 116.97 117.66 1jx4 h TYR 118 Ca -0.15 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 1jx4 h TYR 118 Cb 0.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1jx4 h TYR 118 CO 0.00 0.30 0.00 -0.09 -1.05 0.00 0.00 178.16 177.32 1jx4 h ARG 119 N 0.00 0.43 -0.45 4.88 2.43 -1.99 0.97 114.38 120.66 1jx4 h ARG 119 Ca -0.00 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1jx4 h ARG 119 Cb 0.68 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1jx4 h ARG 119 CO 0.04 0.60 -0.16 0.93 -1.51 0.00 0.00 179.97 179.87 1jx4 h GLU 120 N 0.21 0.90 -0.44 0.20 5.08 -1.92 -2.28 114.58 116.32 1jx4 h GLU 120 Ca 0.07 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1jx4 h GLU 120 Cb 0.41 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1jx4 h GLU 120 CO 0.01 1.02 0.13 0.00 -1.00 0.00 0.00 179.01 179.17 1jx4 h ALA 121 N 0.85 0.51 -0.86 3.43 0.00 -0.88 -0.26 119.26 122.05 1jx4 h ALA 121 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jx4 h ALA 121 Cb 0.72 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1jx4 h ALA 121 CO 0.06 -0.27 0.55 -0.92 0.00 0.00 0.00 179.25 178.67 1jx4 h TYR 122 N 0.28 1.10 -0.68 0.00 3.20 -0.68 -0.78 116.97 119.41 1jx4 h TYR 122 Ca 0.21 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 1jx4 h TYR 122 Cb 0.23 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1jx4 h TYR 122 CO -0.17 0.71 0.17 -0.91 -1.64 0.00 0.00 178.16 176.31 1jx4 h ASN 123 N 1.17 1.04 -0.44 -2.11 2.35 -0.80 -1.72 115.58 115.07 1jx4 h ASN 123 Ca 0.31 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1jx4 h ASN 123 Cb -0.10 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 1jx4 h ASN 123 CO -0.06 1.00 0.05 0.25 -1.65 0.00 0.00 177.43 177.02 1jx4 h LEU 124 N 1.02 0.77 -0.42 1.61 5.85 -0.54 -1.05 115.31 122.56 1jx4 h LEU 124 Ca 0.21 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1jx4 h LEU 124 Cb 0.37 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1jx4 h LEU 124 CO 0.00 0.81 0.23 1.23 -0.34 0.00 0.00 178.44 180.37 1jx4 h GLY 125 N 0.97 0.58 1.02 3.75 0.00 -0.63 0.86 103.07 109.62 1jx4 h GLY 125 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1jx4 h GLY 125 CO 0.01 0.13 0.27 1.41 0.00 0.00 0.00 176.54 178.37 1jx4 h LEU 126 N 0.46 0.94 -0.63 3.11 3.38 -0.85 0.22 115.31 121.94 1jx4 h LEU 126 Ca 0.17 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jx4 h LEU 126 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1jx4 h LEU 126 CO -0.10 0.85 0.40 -0.08 0.09 0.00 0.00 178.44 179.60 1jx4 h GLU 127 N 0.96 0.76 -0.16 1.13 4.81 -0.64 0.16 114.58 121.60 1jx4 h GLU 127 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1jx4 h GLU 127 Cb 0.21 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1jx4 h GLU 127 CO -0.02 0.50 0.03 0.82 -0.73 0.00 0.00 179.01 179.62 1jx4 h ILE 128 N 0.78 1.21 -0.78 2.32 2.04 -0.39 0.23 117.51 122.93 1jx4 h ILE 128 Ca 0.25 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1jx4 h ILE 128 Cb -0.00 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1jx4 h ILE 128 CO -0.09 0.20 0.48 0.11 0.00 0.00 0.00 178.15 178.85 1jx4 h LYS 129 N 0.05 0.86 -0.57 2.37 1.57 -0.70 -1.46 116.57 118.69 1jx4 h LYS 129 Ca 0.05 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1jx4 h LYS 129 Cb 0.28 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1jx4 h LYS 129 CO 0.00 0.57 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.50 1jx4 h ASN 130 N 0.89 1.02 -0.47 0.86 2.35 -0.73 -1.79 115.58 117.71 1jx4 h ASN 130 Ca 0.33 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1jx4 h ASN 130 Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1jx4 h ASN 130 CO -0.16 1.10 0.29 0.50 -1.65 0.00 0.00 177.43 177.51 1jx4 h LYS 131 N 0.91 0.63 -0.48 0.81 1.63 -0.42 0.89 116.57 120.55 1jx4 h LYS 131 Ca 0.16 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1jx4 h LYS 131 Cb 0.60 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1jx4 h LYS 131 CO 0.04 0.45 -0.09 0.82 -3.45 0.00 0.00 179.45 177.22 1jx4 h ILE 132 N 0.62 1.26 -0.12 2.00 2.04 -1.14 -1.20 117.51 120.98 1jx4 h ILE 132 Ca 0.17 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1jx4 h ILE 132 Cb -0.02 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1jx4 h ILE 132 CO -0.03 0.41 0.01 0.25 0.00 0.00 0.00 178.15 178.78 1jx4 h LEU 133 N 0.77 0.20 0.04 1.44 5.85 -1.07 0.01 115.31 122.55 1jx4 h LEU 133 Ca 0.13 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1jx4 h LEU 133 Cb 0.59 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1jx4 h LEU 133 CO 0.04 0.44 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.95 1jx4 h GLU 134 N -0.04 -0.45 0.02 1.25 5.08 -0.66 0.67 114.58 120.45 1jx4 h GLU 134 Ca 0.04 0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 1jx4 h GLU 134 Cb 0.33 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jx4 h GLU 134 CO 0.00 -0.30 -1.00 0.87 -1.00 0.00 0.00 179.01 177.58 1jx4 h LYS 135 N -0.47 0.43 0.00 2.33 1.79 -1.24 -3.40 116.57 116.00 1jx4 h LYS 135 Ca 0.05 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1jx4 h LYS 135 Cb 0.54 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1jx4 h LYS 135 CO -0.23 1.15 0.00 0.39 -1.08 0.00 0.00 179.45 179.68 1jx4 n GLU 136 N -3.73 0.90 -3.03 3.15 -0.58 -0.03 -5.01 120.64 112.32 1jx4 n GLU 136 Ca -0.08 -0.24 -0.22 0.00 -0.42 0.00 0.00 57.16 56.20 1jx4 n GLU 136 Cb 0.87 -0.69 0.02 0.00 -0.57 0.00 0.00 31.44 31.07 1jx4 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1jx4 n LYS 137 N -0.20 -4.21 -4.47 3.49 4.76 0.23 -4.98 118.16 112.77 1jx4 n LYS 137 Ca 0.00 0.81 -0.34 0.00 -2.87 0.00 0.00 58.31 55.91 1jx4 n LYS 137 Cb 0.06 -5.61 -0.12 0.00 -1.84 0.00 0.00 35.03 27.51 1jx4 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jx4 s ILE 138 N -3.09 3.77 0.21 -0.18 -1.09 -1.23 -4.94 121.20 114.65 1jx4 s ILE 138 Ca 0.29 -0.41 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 1jx4 s ILE 138 Cb -0.14 -2.64 -0.07 0.00 -1.58 0.00 0.00 42.46 38.04 1jx4 s ILE 138 CO 0.36 0.51 0.53 0.42 -1.23 0.00 0.00 174.94 175.53 1jx4 s THR 139 N 0.25 4.94 0.12 2.92 -4.23 -1.26 -3.63 115.64 114.75 1jx4 s THR 139 Ca -0.04 0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1jx4 s THR 139 Cb -0.14 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1jx4 s THR 139 CO 0.03 -0.01 0.04 0.68 -0.54 0.00 0.00 174.62 174.82 1jx4 s VAL 140 N -1.75 0.18 -0.10 2.29 -7.23 -1.26 -2.32 120.40 110.21 1jx4 s VAL 140 Ca 0.45 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1jx4 s VAL 140 Cb -0.12 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1jx4 s VAL 140 CO 0.21 -0.55 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.46 1jx4 s THR 141 N -3.99 3.38 -0.09 5.32 2.01 -0.02 -3.81 115.64 118.45 1jx4 s THR 141 Ca 0.21 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1jx4 s THR 141 Cb 0.07 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1jx4 s THR 141 CO 0.00 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1jx4 s VAL 142 N -0.17 3.70 -0.06 3.82 1.01 -0.43 -0.96 120.40 127.31 1jx4 s VAL 142 Ca 0.01 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1jx4 s VAL 142 Cb -0.13 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1jx4 s VAL 142 CO 0.03 0.58 -0.21 -0.83 0.00 0.00 0.00 175.10 174.66 1jx4 s GLY 143 N -0.52 1.13 -0.05 4.51 0.00 -0.29 -1.94 107.32 110.15 1jx4 s GLY 143 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1jx4 s GLY 143 CO 0.02 -0.45 -0.08 -0.42 0.00 0.00 0.00 173.10 172.18 1jx4 s ILE 144 N 0.03 0.79 0.00 0.90 1.01 0.66 -0.64 121.20 123.95 1jx4 s ILE 144 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1jx4 s ILE 144 Cb -0.14 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1jx4 s ILE 144 CO 0.04 0.28 0.00 -0.24 0.00 0.00 0.00 174.94 175.02 1jx4 n SER 145 N 3.97 0.00 -0.05 3.58 2.88 -0.73 -0.59 113.62 122.68 1jx4 n SER 145 Ca -0.24 -0.58 0.13 0.00 -1.33 0.00 0.00 58.87 56.86 1jx4 n SER 145 Cb 0.51 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.47 1jx4 n SER 145 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1jx4 n LYS 146 N 0.00 0.29 -3.92 -1.46 2.85 -1.26 -0.86 118.16 113.79 1jx4 n LYS 146 Ca 0.00 -0.11 -0.09 0.00 -1.05 0.00 0.00 58.31 57.07 1jx4 n LYS 146 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 1jx4 n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jx4 s ASN 147 N -2.79 -0.05 0.23 -5.58 2.20 -1.26 -4.63 114.94 103.05 1jx4 s ASN 147 Ca 0.19 -0.89 -0.08 0.00 -0.94 0.00 0.00 52.86 51.14 1jx4 s ASN 147 Cb 0.19 0.69 0.20 0.00 -2.00 0.00 0.00 41.25 40.33 1jx4 s ASN 147 CO 0.56 -1.32 1.88 0.11 -2.94 0.00 0.00 177.10 175.39 1jx4 h LYS 148 N 2.10 1.17 0.11 3.55 1.57 -1.92 -1.79 116.57 121.36 1jx4 h LYS 148 Ca -0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1jx4 h LYS 148 Cb 1.25 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1jx4 h LYS 148 CO 0.32 0.81 -0.05 0.28 -0.57 0.00 0.00 179.45 180.24 1jx4 h VAL 149 N 1.18 0.93 0.00 0.50 2.07 -1.97 -1.06 116.25 117.90 1jx4 h VAL 149 Ca 0.31 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 1jx4 h VAL 149 Cb -0.07 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1jx4 h VAL 149 CO -0.06 0.03 -0.41 -0.26 0.02 0.00 0.00 177.57 176.88 1jx4 h PHE 150 N -0.19 0.00 -0.62 1.57 0.04 -1.97 -1.03 116.94 114.74 1jx4 h PHE 150 Ca -0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1jx4 h PHE 150 Cb 0.15 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1jx4 h PHE 150 CO -0.06 0.41 0.03 0.00 -0.60 0.00 0.00 178.31 178.10 1jx4 h ALA 151 N 1.59 0.88 -0.30 2.45 0.00 -1.09 -0.10 119.26 122.69 1jx4 h ALA 151 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1jx4 h ALA 151 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jx4 h ALA 151 CO 0.05 0.67 -0.02 -0.22 0.00 0.00 0.00 179.25 179.73 1jx4 h LYS 152 N 0.98 0.54 -1.01 0.00 3.64 -0.85 -2.30 116.57 117.58 1jx4 h LYS 152 Ca 0.18 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1jx4 h LYS 152 Cb 0.52 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1jx4 h LYS 152 CO 0.02 0.70 0.66 0.82 -2.27 0.00 0.00 179.45 179.38 1jx4 h ILE 153 N 0.32 1.13 -0.60 2.00 2.04 -1.00 0.18 117.51 121.58 1jx4 h ILE 153 Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1jx4 h ILE 153 Cb 0.47 -0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1jx4 h ILE 153 CO 0.02 0.22 0.36 0.00 0.00 0.00 0.00 178.15 178.75 1jx4 h ALA 154 N 1.44 0.78 -0.52 1.87 0.00 -0.74 -2.26 119.26 119.83 1jx4 h ALA 154 Ca 0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1jx4 h ALA 154 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jx4 h ALA 154 CO -0.15 0.08 0.11 0.00 0.00 0.00 0.00 179.25 179.29 1jx4 h ALA 155 N 1.27 0.69 0.00 0.00 0.00 -0.79 -1.96 119.26 118.47 1jx4 h ALA 155 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jx4 h ALA 155 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jx4 h ALA 155 CO -0.11 0.40 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 1jx4 n ASP 156 N -4.42 0.00 0.00 0.00 8.00 -0.02 -0.92 116.55 119.19 1jx4 n ASP 156 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1jx4 n ASP 156 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1jx4 n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jx4 n ALA 158 N 0.92 0.00 -1.69 2.24 0.00 -0.74 -5.00 120.51 116.24 1jx4 n ALA 158 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1jx4 n ALA 158 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1jx4 n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jx4 s LYS 159 N 0.00 2.98 0.55 0.00 -2.85 -0.10 -3.68 119.74 116.64 1jx4 s LYS 159 Ca 0.00 1.70 0.00 0.00 -1.00 0.00 0.00 55.97 56.68 1jx4 s LYS 159 Cb 0.00 -1.94 0.03 0.00 -2.06 0.00 0.00 37.83 33.86 1jx4 s LYS 159 CO 0.00 -1.17 0.79 -1.25 0.10 0.00 0.00 175.35 173.82 1jx4 s PRO 160 N -3.47 2.57 -1.49 1.78 0.04 -1.26 -4.93 135.00 128.23 1jx4 s PRO 160 Ca 0.74 -0.70 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1jx4 s PRO 160 Cb -0.27 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.81 1jx4 s PRO 160 CO 0.33 -0.71 0.25 -1.71 0.04 0.00 0.00 177.00 175.20 1jx4 n ASN 161 N -2.37 0.10 -4.51 6.66 2.85 -1.26 -4.95 115.26 111.79 1jx4 n ASN 161 Ca 0.07 -1.13 -0.31 0.00 -0.11 0.00 0.00 54.58 53.10 1jx4 n ASN 161 Cb 0.60 -2.38 -0.07 0.00 1.24 0.00 0.00 39.78 39.16 1jx4 n ASN 161 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1jx4 s GLY 162 N -4.32 2.96 -0.21 8.20 0.00 -1.24 -4.97 107.32 107.75 1jx4 s GLY 162 Ca 0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 1jx4 s GLY 162 CO 0.94 -2.08 0.52 -1.50 0.00 0.00 0.00 173.10 170.98 1jx4 s ILE 163 N -3.00 -0.01 -0.19 0.90 2.07 -1.25 -1.31 121.20 118.40 1jx4 s ILE 163 Ca 0.09 0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.21 1jx4 s ILE 163 Cb 0.01 -0.75 0.05 0.00 0.13 0.00 0.00 42.46 41.90 1jx4 s ILE 163 CO 0.06 0.02 0.51 -0.75 -1.91 0.00 0.00 174.94 172.87 1jx4 s LYS 164 N 1.13 0.58 -0.14 3.50 2.20 -0.82 -4.98 119.74 121.22 1jx4 s LYS 164 Ca -0.07 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.27 1jx4 s LYS 164 Cb -0.06 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1jx4 s LYS 164 CO -0.11 -0.09 -0.05 0.08 -0.36 0.00 0.00 175.35 174.82 1jx4 s VAL 165 N 0.52 3.77 -0.50 4.02 1.01 -1.26 -0.24 120.40 127.72 1jx4 s VAL 165 Ca -0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1jx4 s VAL 165 Cb -0.04 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 33.84 1jx4 s VAL 165 CO -0.03 0.51 0.30 -0.63 0.00 0.00 0.00 175.10 175.26 1jx4 s ILE 166 N 0.17 3.39 1.15 2.22 1.01 0.24 -4.96 121.20 124.42 1jx4 s ILE 166 Ca -0.02 -2.51 -0.19 0.00 0.00 0.00 0.00 60.65 57.93 1jx4 s ILE 166 Cb -0.14 -3.28 0.27 0.00 0.01 0.00 0.00 42.46 39.32 1jx4 s ILE 166 CO 0.03 -0.77 1.17 1.51 0.00 0.00 0.00 174.94 176.88 1jx4 s ASP 167 N 1.21 1.43 0.42 3.58 1.47 -1.26 -4.42 116.67 119.09 1jx4 s ASP 167 Ca 0.12 0.49 0.10 0.00 1.18 0.00 0.00 52.55 54.44 1jx4 s ASP 167 Cb -0.22 -0.64 0.91 0.00 -0.34 0.00 0.00 42.92 42.64 1jx4 s ASP 167 CO -0.04 -3.79 2.02 0.44 0.68 0.00 0.00 175.17 174.48 1jx4 h ASP 168 N -2.36 0.45 -0.20 2.11 3.32 -1.99 -0.55 116.42 117.20 1jx4 h ASP 168 Ca -0.44 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.44 1jx4 h ASP 168 Cb 1.27 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1jx4 h ASP 168 CO 0.33 0.30 -0.50 -0.08 -1.72 0.00 0.00 179.24 177.57 1jx4 h GLU 169 N 0.52 0.78 -0.02 3.56 4.81 -2.00 -2.75 114.58 119.47 1jx4 h GLU 169 Ca 0.21 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.83 1jx4 h GLU 169 Cb 0.20 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1jx4 h GLU 169 CO -0.06 1.09 -0.67 1.49 -0.73 0.00 0.00 179.01 180.14 1jx4 h GLU 170 N 0.61 0.08 -0.70 1.92 4.81 -1.63 -2.21 114.58 117.46 1jx4 h GLU 170 Ca 0.02 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1jx4 h GLU 170 Cb 1.08 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1jx4 h GLU 170 CO 0.11 0.72 0.45 0.28 -0.73 0.00 0.00 179.01 179.83 1jx4 h VAL 171 N 0.06 1.13 -0.64 0.32 2.07 -1.05 0.33 116.25 118.46 1jx4 h VAL 171 Ca -0.01 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1jx4 h VAL 171 Cb 1.18 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1jx4 h VAL 171 CO 0.09 0.16 0.20 0.11 0.02 0.00 0.00 177.57 178.15 1jx4 h LYS 172 N 0.89 0.98 -0.32 1.57 1.57 -1.18 -1.11 116.57 118.97 1jx4 h LYS 172 Ca 0.27 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1jx4 h LYS 172 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1jx4 h LYS 172 CO -0.09 0.84 0.03 -0.09 -0.57 0.00 0.00 179.45 179.57 1jx4 h ARG 173 N 0.95 0.56 -0.49 3.15 2.43 -0.71 -2.94 114.38 117.32 1jx4 h ARG 173 Ca 0.21 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1jx4 h ARG 173 Cb 0.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1jx4 h ARG 173 CO -0.01 0.67 0.09 -0.07 -1.51 0.00 0.00 179.97 179.14 1jx4 h LEU 174 N 0.37 0.71 -1.62 3.80 3.38 -0.06 0.44 115.31 122.33 1jx4 h LEU 174 Ca 0.10 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1jx4 h LEU 174 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1jx4 h LEU 174 CO 0.01 0.73 0.39 0.40 0.09 0.00 0.00 178.44 180.06 1jx4 h ILE 175 N 0.73 0.93 0.09 1.22 2.04 -1.08 0.21 117.51 121.65 1jx4 h ILE 175 Ca 0.16 -0.15 -0.32 0.00 1.00 0.00 0.00 64.86 65.55 1jx4 h ILE 175 Cb 0.32 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1jx4 h ILE 175 CO 0.00 0.08 -1.68 0.03 0.00 0.00 0.00 178.15 176.59 1jx4 h ARG 176 N 0.44 0.20 0.00 2.37 3.08 -0.86 -1.14 114.38 118.48 1jx4 h ARG 176 Ca 0.26 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1jx4 h ARG 176 Cb 0.45 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1jx4 h ARG 176 CO -0.07 1.01 -1.67 0.39 -1.07 0.00 0.00 179.97 178.56 1jx4 n GLU 177 N -3.38 0.69 -2.05 0.04 1.02 0.13 -4.83 120.64 112.28 1jx4 n GLU 177 Ca -0.20 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.41 1jx4 n GLU 177 Cb 1.05 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 1jx4 n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jx4 s LEU 178 N -4.13 4.36 0.16 -4.62 2.96 0.71 -4.94 118.68 113.18 1jx4 s LEU 178 Ca -0.05 2.39 -0.33 0.00 -0.22 0.00 0.00 54.13 55.92 1jx4 s LEU 178 Cb 0.08 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 43.07 1jx4 s LEU 178 CO 0.56 -0.79 1.67 -0.67 -1.32 0.00 0.00 176.35 175.80 1jx4 n ASP 179 N 4.88 3.52 0.28 3.68 -0.08 -1.26 -4.32 116.55 123.25 1jx4 n ASP 179 Ca 0.14 1.06 0.15 0.00 -1.51 0.00 0.00 54.79 54.63 1jx4 n ASP 179 Cb 0.41 -1.49 0.78 0.00 2.34 0.00 0.00 41.12 43.17 1jx4 n ASP 179 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1jx4 h ILE 180 N 3.88 0.33 0.00 5.18 2.10 -1.48 -0.94 117.51 126.58 1jx4 h ILE 180 Ca -0.45 -0.49 -0.00 0.00 1.08 0.00 0.00 64.86 65.00 1jx4 h ILE 180 Cb 1.23 1.36 -0.00 0.00 -1.09 0.00 0.00 36.82 38.33 1jx4 h ILE 180 CO 0.92 0.08 -0.01 0.00 -1.08 0.00 0.00 178.15 178.06 1jx4 h ALA 181 N 1.92 1.03 -0.15 0.18 0.00 -1.88 -1.71 119.26 118.65 1jx4 h ALA 181 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jx4 h ALA 181 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jx4 h ALA 181 CO 0.01 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 1jx4 n ASP 182 N -3.15 1.48 -4.71 0.00 8.00 -0.36 -4.77 116.55 113.05 1jx4 n ASP 182 Ca -0.01 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 1jx4 n ASP 182 Cb 0.19 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1jx4 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jx4 s VAL 183 N -1.81 4.89 0.21 2.53 1.01 -0.65 -4.99 120.40 121.60 1jx4 s VAL 183 Ca 0.32 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 63.94 1jx4 s VAL 183 Cb 0.17 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1jx4 s VAL 183 CO 0.25 0.16 1.16 -2.65 0.00 0.00 0.00 175.10 174.03 1jx4 n PRO 184 N 3.96 1.33 -0.07 2.72 -0.02 -1.26 -1.91 135.00 139.75 1jx4 n PRO 184 Ca 0.05 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1jx4 n PRO 184 Cb 0.51 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1jx4 n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jx4 n GLY 185 N 1.85 0.73 3.20 -1.23 0.00 -1.26 -5.03 105.19 103.46 1jx4 n GLY 185 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1jx4 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jx4 s ILE 186 N -2.33 3.84 0.00 -0.61 -1.09 -0.80 -5.01 121.20 115.19 1jx4 s ILE 186 Ca 0.00 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 56.72 1jx4 s ILE 186 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1jx4 s ILE 186 CO 0.00 -0.60 0.00 0.61 -1.23 0.00 0.00 174.94 173.72 1jx4 n GLY 187 N 4.79 1.00 0.34 6.18 0.00 -1.26 -4.78 105.19 111.45 1jx4 n GLY 187 Ca -0.07 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 1jx4 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jx4 h ASN 188 N 0.00 0.86 -0.39 1.61 -0.26 -1.98 -0.41 115.58 115.02 1jx4 h ASN 188 Ca 0.00 -0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.62 1jx4 h ASN 188 Cb 0.00 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1jx4 h ASN 188 CO 0.00 0.69 0.02 0.40 -1.06 0.00 0.00 177.43 177.48 1jx4 h ILE 189 N 0.98 1.25 -0.27 2.81 2.04 -2.00 -1.62 117.51 120.71 1jx4 h ILE 189 Ca 0.25 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 64.99 1jx4 h ILE 189 Cb 0.01 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1jx4 h ILE 189 CO -0.04 0.32 -0.47 0.74 0.00 0.00 0.00 178.15 178.70 1jx4 h THR 190 N 0.50 1.29 -0.84 -0.27 2.02 -1.89 -2.60 112.91 111.12 1jx4 h THR 190 Ca 0.11 -1.66 0.07 0.00 0.77 0.00 0.00 66.41 65.69 1jx4 h THR 190 Cb 0.44 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 1jx4 h THR 190 CO 0.02 0.54 0.55 0.00 0.37 0.00 0.00 175.52 176.99 1jx4 h ALA 191 N 0.66 1.59 -0.17 6.16 0.00 -0.97 -0.52 119.26 126.00 1jx4 h ALA 191 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jx4 h ALA 191 Cb 1.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1jx4 h ALA 191 CO 0.11 0.28 -0.20 1.49 0.00 0.00 0.00 179.25 180.93 1jx4 h GLU 192 N 0.92 0.44 -0.17 0.00 4.57 -1.24 0.34 114.58 119.45 1jx4 h GLU 192 Ca 0.36 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1jx4 h GLU 192 Cb 0.23 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1jx4 h GLU 192 CO -0.13 0.82 0.02 0.87 -1.18 0.00 0.00 179.01 179.41 1jx4 h LYS 193 N 0.08 0.23 0.07 1.92 1.57 -1.02 -1.47 116.57 117.96 1jx4 h LYS 193 Ca 0.02 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1jx4 h LYS 193 Cb 0.76 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 33.04 1jx4 h LYS 193 CO 0.05 0.24 -1.15 -0.07 -0.57 0.00 0.00 179.45 177.95 1jx4 h LEU 194 N 0.23 0.76 -1.09 2.94 3.38 -0.88 -3.16 115.31 117.50 1jx4 h LEU 194 Ca 0.06 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.39 1jx4 h LEU 194 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1jx4 h LEU 194 CO -0.00 1.49 0.62 0.50 0.09 0.00 0.00 178.44 181.13 1jx4 h LYS 195 N 0.27 1.16 0.00 1.13 3.64 -0.54 0.20 116.57 122.42 1jx4 h LYS 195 Ca -0.15 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1jx4 h LYS 195 Cb 1.81 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1jx4 h LYS 195 CO 0.21 0.77 0.00 1.17 -2.27 0.00 0.00 179.45 179.33 1jx4 n LYS 196 N -4.44 0.14 -0.06 1.90 4.81 -0.59 -1.26 118.16 118.66 1jx4 n LYS 196 Ca 0.12 0.19 0.04 0.00 -0.87 0.00 0.00 58.31 57.80 1jx4 n LYS 196 Cb 0.09 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.71 1jx4 n LYS 196 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jx4 n LEU 197 N -1.35 2.16 0.00 3.14 4.77 0.53 -4.94 117.00 121.31 1jx4 n LEU 197 Ca 0.06 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 1jx4 n LEU 197 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1jx4 n LEU 197 CO 0.11 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1jx4 n GLY 198 N 0.41 0.57 3.50 -0.72 0.00 -0.39 -5.01 105.19 103.55 1jx4 n GLY 198 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1jx4 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jx4 s ILE 199 N -2.09 4.59 -0.14 -0.61 1.01 -0.25 -4.83 121.20 118.88 1jx4 s ILE 199 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1jx4 s ILE 199 Cb 0.00 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1jx4 s ILE 199 CO 0.00 -0.96 0.13 0.59 0.00 0.00 0.00 174.94 174.70 1jx4 n ASN 200 N 6.93 0.40 -4.05 3.58 3.02 -1.26 -3.87 115.26 120.01 1jx4 n ASN 200 Ca -0.01 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.91 1jx4 n ASN 200 Cb 0.47 1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.54 1jx4 n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jx4 s LYS 201 N -1.36 0.49 0.22 3.52 -0.14 -1.26 -1.14 119.74 120.06 1jx4 s LYS 201 Ca 0.01 -0.91 -0.09 0.00 -1.36 0.00 0.00 55.97 53.62 1jx4 s LYS 201 Cb 0.02 0.08 0.31 0.00 -1.68 0.00 0.00 37.83 36.56 1jx4 s LYS 201 CO 0.13 -0.06 1.73 -0.07 -0.76 0.00 0.00 175.35 176.33 1jx4 h LEU 202 N 3.94 0.19 -1.52 3.17 3.38 -1.73 -0.89 115.31 121.84 1jx4 h LEU 202 Ca -0.33 0.09 0.25 0.00 0.09 0.00 0.00 57.88 57.98 1jx4 h LEU 202 Cb 1.18 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 1jx4 h LEU 202 CO 0.52 0.10 0.66 1.62 0.09 0.00 0.00 178.44 181.43 1jx4 h VAL 203 N 0.38 0.57 0.00 1.22 3.04 -1.53 -0.23 116.25 119.71 1jx4 h VAL 203 Ca 0.33 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1jx4 h VAL 203 Cb 0.44 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1jx4 h VAL 203 CO -0.34 0.06 -0.02 0.44 -1.01 0.00 0.00 177.57 176.70 1jx4 h ASP 204 N 0.34 0.00 0.65 3.17 3.32 -1.45 -1.95 116.42 120.50 1jx4 h ASP 204 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1jx4 h ASP 204 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 1jx4 h ASP 204 CO -0.20 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.69 1jx4 n THR 205 N -3.51 0.47 0.52 0.35 -2.24 -0.10 -2.79 114.28 106.99 1jx4 n THR 205 Ca -0.03 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1jx4 n THR 205 Cb 0.11 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 1jx4 n THR 205 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jx4 h LEU 206 N 0.00 0.00 -2.25 3.22 3.38 -1.51 -3.34 115.31 114.81 1jx4 h LEU 206 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jx4 h LEU 206 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jx4 h LEU 206 CO 0.00 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 1jx4 n SER 207 N -2.36 2.55 -4.88 -0.43 3.41 -1.12 -4.97 113.62 105.82 1jx4 n SER 207 Ca 0.04 -1.78 -0.31 0.00 -0.26 0.00 0.00 58.87 56.56 1jx4 n SER 207 Cb 0.45 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1jx4 n SER 207 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1jx4 s ILE 208 N -1.00 5.17 0.12 -1.33 2.07 -1.25 -5.04 121.20 119.95 1jx4 s ILE 208 Ca 0.20 -0.47 -0.31 0.00 -1.41 0.00 0.00 60.65 58.66 1jx4 s ILE 208 Cb 0.12 -3.51 -0.10 0.00 0.13 0.00 0.00 42.46 39.11 1jx4 s ILE 208 CO 0.16 0.15 1.65 -0.70 -1.91 0.00 0.00 174.94 174.29 1jx4 s GLU 209 N -2.42 4.19 0.25 3.50 2.12 -1.26 -4.87 118.70 120.21 1jx4 s GLU 209 Ca 0.33 2.40 -0.03 0.00 0.36 0.00 0.00 54.97 58.03 1jx4 s GLU 209 Cb -0.13 -3.39 0.51 0.00 0.26 0.00 0.00 34.13 31.38 1jx4 s GLU 209 CO 0.26 -0.70 1.71 0.35 -0.54 0.00 0.00 175.26 176.33 1jx4 h PHE 210 N 7.67 0.45 0.00 5.30 3.57 -1.96 0.11 116.94 132.08 1jx4 h PHE 210 Ca -0.43 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1jx4 h PHE 210 Cb 1.20 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 1jx4 h PHE 210 CO 0.72 -0.01 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.25 1jx4 h ASP 211 N 0.37 0.00 -0.03 0.41 3.32 -1.98 0.13 116.42 118.65 1jx4 h ASP 211 Ca 0.44 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.29 1jx4 h ASP 211 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1jx4 h ASP 211 CO -0.46 0.10 -0.69 0.50 -1.72 0.00 0.00 179.24 176.96 1jx4 h LYS 212 N 0.00 0.66 0.06 3.56 3.64 -1.36 -0.70 116.57 122.44 1jx4 h LYS 212 Ca -0.00 -0.50 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1jx4 h LYS 212 Cb 0.18 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jx4 h LYS 212 CO 0.01 1.12 -0.03 1.25 -2.27 0.00 0.00 179.45 179.53 1jx4 h LEU 213 N 0.47 -0.07 -1.20 5.20 5.85 -0.78 -3.16 115.31 121.62 1jx4 h LEU 213 Ca -0.03 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.36 1jx4 h LEU 213 Cb 1.29 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1jx4 h LEU 213 CO 0.14 0.35 0.55 0.50 -0.34 0.00 0.00 178.44 179.64 1jx4 h LYS 214 N -0.51 1.00 -0.42 1.25 3.64 -0.80 -1.25 116.57 119.48 1jx4 h LYS 214 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1jx4 h LYS 214 Cb 0.45 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1jx4 h LYS 214 CO 0.01 0.66 0.00 0.41 -2.27 0.00 0.00 179.45 178.27 1jx4 n GLY 215 N -1.41 0.54 0.00 5.01 0.00 -0.27 -0.45 105.19 108.61 1jx4 n GLY 215 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1jx4 n GLY 215 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jx4 n ILE 217 N 0.35 0.00 0.00 -0.61 -5.35 -0.47 -5.09 119.36 108.18 1jx4 n ILE 217 Ca 0.00 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1jx4 n ILE 217 Cb 0.09 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 1jx4 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jx4 n GLY 218 N -0.40 1.28 0.04 3.28 0.00 0.41 -4.46 105.19 105.35 1jx4 n GLY 218 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1jx4 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jx4 h GLU 219 N 0.00 0.01 -0.58 1.61 4.81 -1.93 -2.38 114.58 116.12 1jx4 h GLU 219 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1jx4 h GLU 219 Cb 0.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1jx4 h GLU 219 CO 0.00 0.08 0.38 0.00 -0.73 0.00 0.00 179.01 178.74 1jx4 h ALA 220 N 0.92 0.74 -0.12 2.92 0.00 -1.96 -0.28 119.26 121.48 1jx4 h ALA 220 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1jx4 h ALA 220 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jx4 h ALA 220 CO -0.00 0.14 -0.47 0.87 0.00 0.00 0.00 179.25 179.80 1jx4 h LYS 221 N 0.76 0.30 -0.17 0.00 1.57 -1.77 -1.42 116.57 115.85 1jx4 h LYS 221 Ca 0.22 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1jx4 h LYS 221 Cb -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1jx4 h LYS 221 CO -0.06 0.71 -0.03 0.00 -0.57 0.00 0.00 179.45 179.50 1jx4 h ALA 222 N 1.27 0.23 -0.64 3.86 0.00 -1.10 -1.13 119.26 121.74 1jx4 h ALA 222 Ca 0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1jx4 h ALA 222 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1jx4 h ALA 222 CO 0.08 -0.03 0.17 0.87 0.00 0.00 0.00 179.25 180.34 1jx4 h LYS 223 N 0.03 0.99 0.52 0.00 1.57 -0.93 -0.74 116.57 118.01 1jx4 h LYS 223 Ca 0.04 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1jx4 h LYS 223 Cb 0.44 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jx4 h LYS 223 CO 0.01 0.87 -0.29 -0.92 -0.57 0.00 0.00 179.45 178.55 1jx4 h TYR 224 N 0.95 -0.77 -0.78 -1.35 3.20 -1.15 -0.06 116.97 117.01 1jx4 h TYR 224 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1jx4 h TYR 224 Cb 0.32 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1jx4 h TYR 224 CO 0.02 -0.46 0.29 -0.07 -1.64 0.00 0.00 178.16 176.30 1jx4 h LEU 225 N -0.76 1.10 -0.70 2.82 3.38 -0.99 -1.38 115.31 118.78 1jx4 h LEU 225 Ca -0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1jx4 h LEU 225 Cb 0.61 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1jx4 h LEU 225 CO 0.08 0.99 0.25 0.40 0.09 0.00 0.00 178.44 180.25 1jx4 h ILE 226 N 1.14 1.25 -0.18 1.22 2.04 -1.09 -0.92 117.51 120.98 1jx4 h ILE 226 Ca 0.26 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1jx4 h ILE 226 Cb 0.25 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1jx4 h ILE 226 CO -0.02 0.33 -0.19 0.77 0.00 0.00 0.00 178.15 179.03 1jx4 h SER 227 N 1.01 0.29 -0.28 1.72 4.64 -0.49 0.20 113.55 120.64 1jx4 h SER 227 Ca 0.23 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 1jx4 h SER 227 Cb 0.25 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1jx4 h SER 227 CO -0.01 0.51 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.00 1jx4 h LEU 228 N 0.28 0.82 -1.34 5.97 3.38 -0.81 0.16 115.31 123.77 1jx4 h LEU 228 Ca 0.05 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1jx4 h LEU 228 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jx4 h LEU 228 CO 0.03 1.16 -0.29 0.00 0.09 0.00 0.00 178.44 179.43 1jx4 h ALA 229 N 0.68 1.45 -0.02 1.53 0.00 -0.48 -0.79 119.26 121.64 1jx4 h ALA 229 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jx4 h ALA 229 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jx4 h ALA 229 CO 0.09 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.28 1jx4 n ARG 230 N -4.17 1.43 -3.62 0.00 1.74 -0.01 -4.85 116.66 107.18 1jx4 n ARG 230 Ca -0.02 -0.63 -0.24 0.00 -0.77 0.00 0.00 57.85 56.19 1jx4 n ARG 230 Cb 0.35 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.39 1jx4 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1jx4 n ASP 231 N -0.23 -5.66 -0.01 0.55 -0.08 -0.30 -4.89 116.55 105.92 1jx4 n ASP 231 Ca 0.20 -0.58 0.01 0.00 -1.51 0.00 0.00 54.79 52.91 1jx4 n ASP 231 Cb 0.27 -4.90 0.01 0.00 2.34 0.00 0.00 41.12 38.84 1jx4 n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jx4 n GLU 232 N -4.87 2.38 -1.98 -0.67 1.02 0.51 -5.04 120.64 111.99 1jx4 n GLU 232 Ca -0.02 -1.46 -0.42 0.00 -0.02 0.00 0.00 57.16 55.24 1jx4 n GLU 232 Cb 0.57 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.99 1jx4 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1jx4 s TYR 233 N -1.02 2.57 -0.06 -0.32 5.04 -0.82 -4.92 117.35 117.81 1jx4 s TYR 233 Ca 0.03 0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1jx4 s TYR 233 Cb 0.03 -3.91 0.03 0.00 0.35 0.00 0.00 41.96 38.46 1jx4 s TYR 233 CO 0.00 -3.57 0.05 0.54 -1.34 0.00 0.00 175.55 171.24 1jx4 s ASN 234 N 2.18 1.37 -0.11 4.32 4.22 -1.26 -4.94 114.94 120.71 1jx4 s ASN 234 Ca 0.72 -0.04 -0.04 0.00 -2.14 0.00 0.00 52.86 51.36 1jx4 s ASN 234 Cb -0.39 -0.21 0.06 0.00 1.28 0.00 0.00 41.25 41.99 1jx4 s ASN 234 CO 0.31 -0.25 0.16 -1.61 -2.04 0.00 0.00 177.10 173.67 1jx4 s GLU 235 N 2.13 0.06 0.72 3.55 0.41 -1.26 -5.15 118.70 119.16 1jx4 s GLU 235 Ca 0.05 0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 54.90 1jx4 s GLU 235 Cb -0.13 -0.62 0.03 0.00 -1.78 0.00 0.00 34.13 31.63 1jx4 s GLU 235 CO -0.04 -0.41 1.11 -1.25 -0.49 0.00 0.00 175.26 174.17 1jx4 s PRO 236 N 2.28 2.51 -0.11 0.39 0.04 -1.26 -4.71 135.00 134.14 1jx4 s PRO 236 Ca 0.04 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1jx4 s PRO 236 Cb -0.13 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1jx4 s PRO 236 CO -0.07 -1.47 0.99 0.42 0.04 0.00 0.00 177.00 176.92 1jx4 s ILE 237 N -2.58 4.79 0.02 0.56 1.09 -1.26 -5.02 121.20 118.80 1jx4 s ILE 237 Ca 0.65 2.01 0.03 0.00 -1.10 0.00 0.00 60.65 62.24 1jx4 s ILE 237 Cb -0.19 -4.30 -0.02 0.00 -1.06 0.00 0.00 42.46 36.89 1jx4 s ILE 237 CO 0.48 0.00 -0.09 0.00 -0.10 0.00 0.00 174.94 175.23 1jx4 s ARG 238 N 2.06 0.66 0.18 2.79 1.70 -1.26 -4.86 118.95 120.22 1jx4 s ARG 238 Ca 0.47 -0.57 -0.33 0.00 -0.47 0.00 0.00 55.73 54.83 1jx4 s ARG 238 Cb -0.18 -0.59 -0.13 0.00 -0.57 0.00 0.00 34.95 33.49 1jx4 s ARG 238 CO 0.17 0.14 1.67 2.41 -1.08 0.00 0.00 175.30 178.62 1jx4 n THR 239 N 2.12 0.03 -3.48 4.99 -1.04 -1.26 -4.34 114.28 111.30 1jx4 n THR 239 Ca -0.18 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 1jx4 n THR 239 Cb 0.56 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.20 1jx4 n THR 239 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1jx4 s ARG 240 N 1.20 3.86 -0.11 -2.82 0.52 -1.26 -5.02 118.95 115.31 1jx4 s ARG 240 Ca 0.77 0.32 0.01 0.00 -0.52 0.00 0.00 55.73 56.31 1jx4 s ARG 240 Cb -0.58 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 31.92 1jx4 s ARG 240 CO 0.35 0.54 -0.12 0.08 0.02 0.00 0.00 175.30 176.17 1jx4 s VAL 241 N -1.40 1.27 0.30 3.52 1.01 -1.26 -4.96 120.40 118.87 1jx4 s VAL 241 Ca 0.34 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1jx4 s VAL 241 Cb -0.15 -1.20 -0.12 0.00 0.00 0.00 0.00 36.38 34.91 1jx4 s VAL 241 CO 0.18 0.40 1.51 -1.14 0.00 0.00 0.00 175.10 176.06 1jx4 n ARG 242 N 4.43 2.50 -0.00 2.72 0.63 -1.26 -4.91 116.66 120.77 1jx4 n ARG 242 Ca -0.18 0.89 0.06 0.00 -0.92 0.00 0.00 57.85 57.70 1jx4 n ARG 242 Cb 0.51 -2.62 -0.08 0.00 0.45 0.00 0.00 32.46 30.73 1jx4 n ARG 242 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1jx4 n LYS 243 N 1.77 2.50 -3.65 -0.14 5.02 -1.26 -5.00 118.16 117.39 1jx4 n LYS 243 Ca 0.08 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 1jx4 n LYS 243 Cb 0.36 -1.12 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 1jx4 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jx4 s SER 244 N -2.38 -0.38 -0.03 4.39 1.04 -1.26 -3.92 113.70 111.16 1jx4 s SER 244 Ca 0.03 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.73 1jx4 s SER 244 Cb 0.09 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1jx4 s SER 244 CO 0.52 -0.56 0.08 -0.63 0.98 0.00 0.00 173.24 173.63 1jx4 s ILE 245 N -1.55 -0.02 0.23 -1.02 1.01 -0.11 -4.96 121.20 114.76 1jx4 s ILE 245 Ca -0.11 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1jx4 s ILE 245 Cb -0.02 -0.13 0.04 0.00 0.01 0.00 0.00 42.46 42.35 1jx4 s ILE 245 CO 0.05 0.04 0.54 0.61 0.00 0.00 0.00 174.94 176.17 1jx4 n GLY 246 N 3.55 1.24 3.37 6.18 0.00 -1.26 0.28 105.19 118.54 1jx4 n GLY 246 Ca -0.19 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1jx4 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jx4 s ARG 247 N -2.05 0.49 -0.04 1.61 6.06 -0.64 -4.84 118.95 119.54 1jx4 s ARG 247 Ca 0.11 0.85 0.02 0.00 -2.50 0.00 0.00 55.73 54.21 1jx4 s ARG 247 Cb -0.03 0.07 0.01 0.00 0.06 0.00 0.00 34.95 35.06 1jx4 s ARG 247 CO 0.07 -0.14 -0.08 0.42 -2.50 0.00 0.00 175.30 173.06 1jx4 s ILE 248 N 1.23 0.80 0.28 4.11 1.01 -1.26 -1.57 121.20 125.79 1jx4 s ILE 248 Ca -0.08 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.35 1jx4 s ILE 248 Cb -0.07 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.60 1jx4 s ILE 248 CO -0.12 0.27 -0.13 0.68 0.00 0.00 0.00 174.94 175.64 1jx4 s VAL 249 N 0.55 2.06 0.00 2.92 -7.23 -0.34 -4.93 120.40 113.43 1jx4 s VAL 249 Ca -0.09 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 57.83 1jx4 s VAL 249 Cb -0.12 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1jx4 s VAL 249 CO 0.01 -0.36 0.00 0.41 -0.31 0.00 0.00 175.10 174.85 1jx4 n THR 250 N -0.61 0.00 -0.10 5.32 -1.04 -1.26 -1.61 114.28 114.98 1jx4 n THR 250 Ca -0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 1jx4 n THR 250 Cb 0.62 -0.15 -0.12 0.00 -1.82 0.00 0.00 70.33 68.86 1jx4 n THR 250 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jx4 n LYS 252 N 0.00 0.64 -3.96 -2.82 3.00 -1.26 -4.95 118.16 108.81 1jx4 n LYS 252 Ca 0.00 0.26 -0.09 0.00 -0.00 0.00 0.00 58.31 58.48 1jx4 n LYS 252 Cb 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 35.03 33.35 1jx4 n LYS 252 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1jx4 s ARG 253 N -2.50 0.41 0.62 1.64 1.70 -1.26 -4.70 118.95 114.85 1jx4 s ARG 253 Ca -0.33 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.11 1jx4 s ARG 253 Cb 0.10 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 1jx4 s ARG 253 CO 0.60 -0.08 1.25 -0.80 -1.08 0.00 0.00 175.30 175.19 1jx4 s ASN 254 N -1.67 4.93 0.07 -2.89 0.01 -1.26 -4.93 114.94 109.20 1jx4 s ASN 254 Ca -0.12 2.50 -0.26 0.00 -0.71 0.00 0.00 52.86 54.26 1jx4 s ASN 254 Cb -0.07 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.07 1jx4 s ASN 254 CO -0.02 -1.78 0.79 -0.55 -1.51 0.00 0.00 177.10 174.04 1jx4 s SER 255 N -1.50 -0.41 -0.03 -1.22 0.15 -0.39 -4.89 113.70 105.41 1jx4 s SER 255 Ca 0.80 -0.05 0.17 0.00 0.70 0.00 0.00 55.95 57.57 1jx4 s SER 255 Cb -0.34 0.47 0.30 0.00 -1.71 0.00 0.00 66.02 64.75 1jx4 s SER 255 CO 0.36 -0.78 1.13 -2.11 1.20 0.00 0.00 173.24 173.04 1jx4 n ARG 256 N -0.31 0.25 -3.37 5.44 1.85 -1.26 0.06 116.66 119.32 1jx4 n ARG 256 Ca -0.11 -1.91 -0.41 0.00 -1.00 0.00 0.00 57.85 54.42 1jx4 n ARG 256 Cb 0.63 -0.40 -0.09 0.00 -1.05 0.00 0.00 32.46 31.54 1jx4 n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1jx4 s ASN 257 N -1.92 6.20 0.23 2.89 3.84 -1.26 -4.98 114.94 119.93 1jx4 s ASN 257 Ca 0.25 -0.32 -0.07 0.00 0.21 0.00 0.00 52.86 52.92 1jx4 s ASN 257 Cb 0.28 -2.21 0.38 0.00 -0.55 0.00 0.00 41.25 39.15 1jx4 s ASN 257 CO -0.10 -0.41 1.69 0.25 -2.79 0.00 0.00 177.10 175.74 1jx4 h LEU 258 N 8.85 -0.03 -1.03 3.21 5.85 -1.99 -0.93 115.31 129.25 1jx4 h LEU 258 Ca -0.29 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1jx4 h LEU 258 Cb 1.13 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1jx4 h LEU 258 CO 0.73 -0.03 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.08 1jx4 h GLU 259 N 0.25 0.19 -0.06 1.25 4.39 -2.01 -1.09 114.58 117.50 1jx4 h GLU 259 Ca 0.37 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.83 1jx4 h GLU 259 Cb 0.60 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1jx4 h GLU 259 CO -0.48 0.56 -0.65 1.49 -1.16 0.00 0.00 179.01 178.77 1jx4 h GLU 260 N 0.17 0.25 0.06 2.33 4.81 -1.72 -3.29 114.58 117.19 1jx4 h GLU 260 Ca 0.02 -0.19 -0.25 0.00 -0.13 0.00 0.00 59.36 58.81 1jx4 h GLU 260 Cb 0.76 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.18 1jx4 h GLU 260 CO 0.06 0.81 -1.08 0.82 -0.73 0.00 0.00 179.01 178.89 1jx4 h ILE 261 N 0.18 1.40 -0.83 2.32 2.04 -0.82 -3.39 117.51 118.42 1jx4 h ILE 261 Ca -0.01 -2.60 0.18 0.00 1.00 0.00 0.00 64.86 63.43 1jx4 h ILE 261 Cb 1.18 2.61 -0.15 0.00 -0.74 0.00 0.00 36.82 39.71 1jx4 h ILE 261 CO 0.10 0.78 -0.11 0.11 0.00 0.00 0.00 178.15 179.03 1jx4 h LYS 262 N 0.20 0.03 -0.93 2.37 1.57 -1.27 -1.87 116.57 116.67 1jx4 h LYS 262 Ca -0.12 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1jx4 h LYS 262 Cb 1.75 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.99 1jx4 h LYS 262 CO 0.19 0.02 0.60 -1.35 -0.57 0.00 0.00 179.45 178.34 1jx4 h PRO 263 N 0.03 1.01 -0.21 3.15 0.11 -1.76 0.30 132.00 134.62 1jx4 h PRO 263 Ca 0.43 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.42 1jx4 h PRO 263 Cb 0.73 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1jx4 h PRO 263 CO -0.80 0.67 -0.11 1.88 -0.21 0.00 0.00 178.00 179.43 1jx4 h TYR 264 N 1.04 0.52 -0.32 0.65 0.05 -1.61 -0.32 116.97 116.98 1jx4 h TYR 264 Ca 0.41 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 59.07 1jx4 h TYR 264 Cb 0.24 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1jx4 h TYR 264 CO -0.00 0.74 0.19 1.25 -1.05 0.00 0.00 178.16 179.29 1jx4 h LEU 265 N 0.15 0.32 -0.92 3.88 5.85 -0.88 -0.67 115.31 123.04 1jx4 h LEU 265 Ca 0.05 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1jx4 h LEU 265 Cb 0.60 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1jx4 h LEU 265 CO 0.03 0.23 0.15 -0.26 -0.34 0.00 0.00 178.44 178.26 1jx4 h PHE 266 N 0.39 0.98 -0.46 1.25 0.04 -0.38 -1.06 116.94 117.70 1jx4 h PHE 266 Ca 0.12 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1jx4 h PHE 266 Cb -0.01 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 1jx4 h PHE 266 CO -0.07 0.81 0.08 -0.09 -0.60 0.00 0.00 178.31 178.43 1jx4 h ARG 267 N 0.91 0.71 -0.36 1.51 2.43 -0.61 -0.57 114.38 118.40 1jx4 h ARG 267 Ca 0.20 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1jx4 h ARG 267 Cb 0.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1jx4 h ARG 267 CO -0.00 0.68 -0.10 0.00 -1.51 0.00 0.00 179.97 179.04 1jx4 h ALA 268 N 1.40 1.15 -0.13 2.80 0.00 -0.50 -1.62 119.26 122.35 1jx4 h ALA 268 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jx4 h ALA 268 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jx4 h ALA 268 CO 0.00 0.54 -0.09 0.82 0.00 0.00 0.00 179.25 180.52 1jx4 h ILE 269 N 0.58 1.33 -0.49 0.00 2.04 -0.55 -0.61 117.51 119.82 1jx4 h ILE 269 Ca 0.11 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.87 1jx4 h ILE 269 Cb 0.51 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 1jx4 h ILE 269 CO 0.03 0.34 0.11 -0.33 0.00 0.00 0.00 178.15 178.30 1jx4 h GLU 270 N -0.07 0.24 -0.51 2.37 4.39 -0.87 0.00 114.58 120.13 1jx4 h GLU 270 Ca 0.03 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1jx4 h GLU 270 Cb 0.58 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1jx4 h GLU 270 CO 0.02 0.16 -0.17 0.93 -1.16 0.00 0.00 179.01 178.79 1jx4 h GLU 271 N 0.25 1.02 -0.60 2.33 5.08 -1.25 -2.23 114.58 119.18 1jx4 h GLU 271 Ca 0.24 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1jx4 h GLU 271 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1jx4 h GLU 271 CO -0.31 1.10 0.39 0.77 -1.00 0.00 0.00 179.01 179.96 1jx4 h SER 272 N 0.89 0.66 -0.56 1.42 0.02 -0.62 -1.22 113.55 114.14 1jx4 h SER 272 Ca 0.12 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1jx4 h SER 272 Cb 0.75 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1jx4 h SER 272 CO 0.06 0.48 0.21 1.88 -1.14 0.00 0.00 176.83 178.31 1jx4 h TYR 273 N 0.79 0.91 -0.43 3.45 0.05 -0.76 0.31 116.97 121.29 1jx4 h TYR 273 Ca 0.22 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1jx4 h TYR 273 Cb -0.07 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 1jx4 h TYR 273 CO -0.04 0.72 0.24 -0.92 -1.05 0.00 0.00 178.16 177.12 1jx4 h TYR 274 N 0.87 0.57 -0.07 4.88 3.20 -1.04 -2.70 116.97 122.69 1jx4 h TYR 274 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1jx4 h TYR 274 Cb 0.22 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1jx4 h TYR 274 CO 0.01 0.42 -0.24 0.87 -1.64 0.00 0.00 178.16 177.59 1jx4 h LYS 275 N 0.56 0.12 -0.38 1.82 1.57 -0.38 -2.80 116.57 117.07 1jx4 h LYS 275 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1jx4 h LYS 275 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1jx4 h LYS 275 CO -0.03 0.36 0.23 -0.07 -0.57 0.00 0.00 179.45 179.38 1jx4 h LEU 276 N 0.11 0.45 -2.27 2.94 3.38 -0.63 -3.47 115.31 115.81 1jx4 h LEU 276 Ca 0.02 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1jx4 h LEU 276 Cb 0.50 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1jx4 h LEU 276 CO 0.03 0.34 -0.74 -0.67 0.09 0.00 0.00 178.44 177.49 1jx4 n ASP 277 N -4.46 -3.30 0.00 -0.43 2.03 -1.06 -1.24 116.55 108.09 1jx4 n ASP 277 Ca 0.03 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1jx4 n ASP 277 Cb 0.08 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1jx4 n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1jx4 n LYS 278 N -0.27 0.00 -2.54 -0.67 4.76 -1.26 -5.00 118.16 113.18 1jx4 n LYS 278 Ca -0.07 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.97 1jx4 n LYS 278 Cb 0.42 -0.84 -0.05 0.00 -1.84 0.00 0.00 35.03 32.73 1jx4 n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jx4 s ARG 279 N -0.18 4.68 -0.25 1.97 0.52 -0.38 -5.01 118.95 120.30 1jx4 s ARG 279 Ca 0.00 1.72 -0.01 0.00 -0.52 0.00 0.00 55.73 56.92 1jx4 s ARG 279 Cb 0.00 -3.23 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1jx4 s ARG 279 CO 0.00 0.25 -0.06 0.42 0.02 0.00 0.00 175.30 175.92 1jx4 s ILE 280 N -0.98 2.79 0.31 1.52 -1.09 -1.26 -4.90 121.20 117.58 1jx4 s ILE 280 Ca 0.45 -1.12 -0.22 0.00 -2.23 0.00 0.00 60.65 57.53 1jx4 s ILE 280 Cb -0.30 -2.45 -0.09 0.00 -1.58 0.00 0.00 42.46 38.04 1jx4 s ILE 280 CO 0.38 0.15 0.85 -2.16 -1.23 0.00 0.00 174.94 172.94 1jx4 s PRO 281 N 1.29 4.34 0.00 2.79 0.04 -1.26 -0.37 135.00 141.83 1jx4 s PRO 281 Ca -0.01 1.06 0.17 0.00 0.04 0.00 0.00 61.00 62.26 1jx4 s PRO 281 Cb -0.17 -2.65 -0.13 0.00 0.04 0.00 0.00 34.50 31.59 1jx4 s PRO 281 CO -0.04 0.24 0.77 1.63 0.04 0.00 0.00 177.00 179.63 1jx4 n LYS 282 N 0.25 1.53 -4.27 4.56 5.02 -0.14 -0.67 118.16 124.45 1jx4 n LYS 282 Ca 0.02 -0.27 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 1jx4 n LYS 282 Cb 0.52 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 34.10 1jx4 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jx4 s ALA 283 N -2.40 1.37 -0.01 7.82 0.00 -0.79 -0.11 121.76 127.64 1jx4 s ALA 283 Ca 0.09 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1jx4 s ALA 283 Cb 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1jx4 s ALA 283 CO 0.61 0.24 -0.01 -1.50 0.00 0.00 0.00 175.76 175.10 1jx4 s ILE 284 N -1.13 0.16 -0.02 0.00 2.07 -0.66 -1.75 121.20 119.87 1jx4 s ILE 284 Ca 0.01 -0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 1jx4 s ILE 284 Cb -0.09 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 1jx4 s ILE 284 CO 0.03 0.07 -0.12 -1.00 -1.91 0.00 0.00 174.94 172.00 1jx4 s HIS 285 N 0.23 1.18 -0.19 3.50 3.76 0.00 -0.95 115.29 122.83 1jx4 s HIS 285 Ca -0.02 -0.26 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 1jx4 s HIS 285 Cb -0.04 -0.78 -0.05 0.00 1.11 0.00 0.00 32.58 32.82 1jx4 s HIS 285 CO -0.01 -0.06 0.12 0.08 -0.85 0.00 0.00 174.74 174.02 1jx4 s VAL 286 N -0.11 5.33 -0.14 -0.90 1.01 0.26 -0.82 120.40 125.03 1jx4 s VAL 286 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1jx4 s VAL 286 Cb -0.07 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1jx4 s VAL 286 CO 0.00 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.68 1jx4 s VAL 287 N 0.16 2.28 -0.02 2.92 1.01 -0.34 -1.52 120.40 124.89 1jx4 s VAL 287 Ca 0.08 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1jx4 s VAL 287 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1jx4 s VAL 287 CO -0.01 0.54 -0.25 0.00 0.00 0.00 0.00 175.10 175.38 1jx4 s ALA 288 N 0.71 2.12 -0.25 5.51 0.00 0.29 -0.92 121.76 129.22 1jx4 s ALA 288 Ca -0.09 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 1jx4 s ALA 288 Cb -0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 1jx4 s ALA 288 CO 0.01 0.51 0.08 0.08 0.00 0.00 0.00 175.76 176.44 1jx4 s VAL 289 N -0.56 4.46 0.80 0.00 1.01 0.02 -0.32 120.40 125.81 1jx4 s VAL 289 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1jx4 s VAL 289 Cb -0.10 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1jx4 s VAL 289 CO -0.01 0.34 1.13 0.42 0.00 0.00 0.00 175.10 176.98 1jx4 s THR 290 N 1.52 2.68 0.37 3.92 -4.23 0.04 -0.23 115.64 119.71 1jx4 s THR 290 Ca 0.06 0.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.89 1jx4 s THR 290 Cb -0.15 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.92 1jx4 s THR 290 CO 0.04 -0.29 1.88 1.05 -0.54 0.00 0.00 174.62 176.77 1jx4 h GLU 291 N -1.06 0.63 -0.49 3.99 4.11 -1.36 0.39 114.58 120.80 1jx4 h GLU 291 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1jx4 h GLU 291 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jx4 h GLU 291 CO 0.63 0.42 0.00 -0.40 0.07 0.00 0.00 179.01 179.72 1jx4 n ASP 292 N -4.54 2.03 -0.16 3.06 5.75 -1.26 -4.91 116.55 116.52 1jx4 n ASP 292 Ca 0.16 -2.13 -0.02 0.00 -0.01 0.00 0.00 54.79 52.79 1jx4 n ASP 292 Cb 0.46 -0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1jx4 n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1jx4 n LEU 293 N 0.31 0.09 -4.84 -2.12 4.77 0.14 -5.05 117.00 110.30 1jx4 n LEU 293 Ca 0.10 0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 1jx4 n LEU 293 Cb 0.38 -1.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.30 1jx4 n LEU 293 CO 0.09 -0.35 0.72 -1.81 -1.33 0.00 0.00 177.39 174.71 1jx4 s ASP 294 N -2.27 5.49 -0.16 -1.43 1.11 -1.26 -4.74 116.67 113.41 1jx4 s ASP 294 Ca 0.00 1.46 -0.01 0.00 0.18 0.00 0.00 52.55 54.18 1jx4 s ASP 294 Cb 0.00 -2.35 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 1jx4 s ASP 294 CO 0.00 -1.35 -0.11 -0.63 1.18 0.00 0.00 175.17 174.26 1jx4 s ILE 295 N -3.14 3.08 0.00 0.77 1.01 -1.26 -0.78 121.20 120.88 1jx4 s ILE 295 Ca 0.58 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1jx4 s ILE 295 Cb -0.13 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1jx4 s ILE 295 CO 0.54 0.50 -0.23 -0.69 0.00 0.00 0.00 174.94 175.06 1jx4 s VAL 296 N 0.76 1.80 0.01 2.92 1.01 0.56 -4.99 120.40 122.47 1jx4 s VAL 296 Ca -0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1jx4 s VAL 296 Cb -0.15 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1jx4 s VAL 296 CO 0.01 0.42 0.26 -0.94 0.00 0.00 0.00 175.10 174.86 1jx4 s SER 297 N -0.76 -0.11 -0.03 3.32 1.04 -1.26 -0.55 113.70 115.35 1jx4 s SER 297 Ca 0.09 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1jx4 s SER 297 Cb -0.09 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1jx4 s SER 297 CO 0.00 -0.48 -0.02 -0.13 0.98 0.00 0.00 173.24 173.60 1jx4 s ARG 298 N -1.69 0.40 0.30 4.02 1.81 -0.57 -4.98 118.95 118.23 1jx4 s ARG 298 Ca -0.11 -0.01 0.03 0.00 -1.72 0.00 0.00 55.73 53.92 1jx4 s ARG 298 Cb -0.04 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.92 1jx4 s ARG 298 CO 0.02 -0.07 0.14 0.20 -0.68 0.00 0.00 175.30 174.90 1jx4 s GLY 299 N 0.73 2.03 -0.08 -3.53 0.00 -1.26 -0.58 107.32 104.63 1jx4 s GLY 299 Ca -0.08 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.81 1jx4 s GLY 299 CO -0.01 -1.61 0.22 -1.60 0.00 0.00 0.00 173.10 170.10 1jx4 s ARG 300 N -3.86 0.25 -0.13 2.90 3.52 -0.13 -4.98 118.95 116.53 1jx4 s ARG 300 Ca 0.35 0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 56.26 1jx4 s ARG 300 Cb 0.06 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 1jx4 s ARG 300 CO 0.16 -0.04 -0.07 0.99 -0.81 0.00 0.00 175.30 175.53 1jx4 s THR 301 N 0.22 3.63 0.27 4.11 2.01 -1.26 -1.65 115.64 122.97 1jx4 s THR 301 Ca -0.01 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.59 1jx4 s THR 301 Cb -0.02 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1jx4 s THR 301 CO -0.00 0.53 0.25 -0.36 -0.69 0.00 0.00 174.62 174.35 1jx4 s PHE 302 N 0.05 3.10 -2.04 4.92 0.40 0.84 -4.99 117.98 120.26 1jx4 s PHE 302 Ca -0.02 -0.15 0.17 0.00 -0.60 0.00 0.00 56.93 56.34 1jx4 s PHE 302 Cb -0.14 -1.54 0.96 0.00 0.51 0.00 0.00 43.02 42.81 1jx4 s PHE 302 CO 0.03 0.41 1.63 -0.35 0.70 0.00 0.00 175.22 177.64 1jx4 n PRO 303 N -1.28 1.12 -4.10 0.24 -0.04 -1.26 -4.82 135.00 124.87 1jx4 n PRO 303 Ca -0.06 -0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.10 1jx4 n PRO 303 Cb 0.58 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1jx4 n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jx4 s HIS 304 N -1.96 0.85 0.76 0.54 -3.43 -1.26 -5.14 115.29 105.65 1jx4 s HIS 304 Ca 0.26 -1.11 -0.14 0.00 -0.80 0.00 0.00 55.06 53.27 1jx4 s HIS 304 Cb 0.13 -0.17 0.06 0.00 -1.43 0.00 0.00 32.58 31.16 1jx4 s HIS 304 CO 0.21 -0.90 1.20 0.20 -2.00 0.00 0.00 174.74 173.45 1jx4 s GLY 305 N -3.13 2.26 -0.31 -1.38 0.00 -1.26 -4.53 107.32 98.97 1jx4 s GLY 305 Ca 0.31 0.85 -0.10 0.00 0.00 0.00 0.00 44.72 45.78 1jx4 s GLY 305 CO 0.13 1.26 0.17 -0.42 0.00 0.00 0.00 173.10 174.25 1jx4 s ILE 306 N -2.07 4.83 0.80 0.90 1.01 0.16 -4.96 121.20 121.87 1jx4 s ILE 306 Ca 0.74 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 1jx4 s ILE 306 Cb -0.29 -3.42 0.07 0.00 0.01 0.00 0.00 42.46 38.83 1jx4 s ILE 306 CO 0.48 0.10 1.10 -0.94 0.00 0.00 0.00 174.94 175.68 1jx4 s SER 307 N 1.66 4.48 0.31 3.58 1.04 -1.26 -4.73 113.70 118.78 1jx4 s SER 307 Ca 0.05 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 57.70 1jx4 s SER 307 Cb -0.17 -1.94 0.48 0.00 0.10 0.00 0.00 66.02 64.49 1jx4 s SER 307 CO 0.08 -1.96 1.95 0.50 0.98 0.00 0.00 173.24 174.78 1jx4 h LYS 308 N -1.09 0.97 -0.53 4.02 3.64 -1.99 0.29 116.57 121.88 1jx4 h LYS 308 Ca -0.47 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 1jx4 h LYS 308 Cb 1.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1jx4 h LYS 308 CO 0.60 0.69 -0.04 1.49 -2.27 0.00 0.00 179.45 179.92 1jx4 h GLU 309 N 0.99 0.94 -0.16 1.90 4.57 -2.00 -0.75 114.58 120.07 1jx4 h GLU 309 Ca 0.26 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 1jx4 h GLU 309 Cb -0.03 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1jx4 h GLU 309 CO -0.05 0.96 -0.42 1.15 -1.18 0.00 0.00 179.01 179.47 1jx4 h THR 310 N 0.86 1.31 -0.37 0.32 2.02 -1.73 -1.77 112.91 113.55 1jx4 h THR 310 Ca 0.15 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 1jx4 h THR 310 Cb 0.56 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1jx4 h THR 310 CO 0.03 0.48 0.17 0.00 0.37 0.00 0.00 175.52 176.57 1jx4 h ALA 311 N 1.25 0.48 -0.24 6.16 0.00 0.08 0.82 119.26 127.82 1jx4 h ALA 311 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jx4 h ALA 311 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1jx4 h ALA 311 CO 0.07 0.06 0.14 1.88 0.00 0.00 0.00 179.25 181.39 1jx4 h TYR 312 N 0.46 0.26 -0.19 0.00 0.05 -0.95 -0.26 116.97 116.33 1jx4 h TYR 312 Ca 0.13 0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.70 1jx4 h TYR 312 Cb 0.14 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 37.81 1jx4 h TYR 312 CO -0.01 0.15 -0.71 0.66 -1.05 0.00 0.00 178.16 177.20 1jx4 h SER 313 N 0.28 0.94 -0.02 3.88 4.64 -1.13 -3.10 113.55 119.04 1jx4 h SER 313 Ca 0.09 -0.58 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 1jx4 h SER 313 Cb -0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1jx4 h SER 313 CO -0.04 1.38 -0.30 -0.08 -0.87 0.00 0.00 176.83 176.92 1jx4 h GLU 314 N 0.57 0.47 -0.66 4.77 4.57 -0.77 -2.79 114.58 120.73 1jx4 h GLU 314 Ca -0.03 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1jx4 h GLU 314 Cb 1.33 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.87 1jx4 h GLU 314 CO 0.15 0.72 0.44 0.66 -1.18 0.00 0.00 179.01 179.79 1jx4 h SER 315 N 0.41 0.73 -0.42 1.04 4.64 -1.04 -0.40 113.55 118.51 1jx4 h SER 315 Ca 0.05 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1jx4 h SER 315 Cb 0.73 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1jx4 h SER 315 CO 0.06 0.53 -0.14 0.58 -0.87 0.00 0.00 176.83 176.98 1jx4 h VAL 316 N 0.86 1.28 -0.46 0.95 2.07 -1.43 0.15 116.25 119.67 1jx4 h VAL 316 Ca 0.25 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1jx4 h VAL 316 Cb -0.06 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1jx4 h VAL 316 CO -0.06 0.42 0.06 0.11 0.02 0.00 0.00 177.57 178.12 1jx4 h LYS 317 N 0.65 0.72 -0.29 1.57 1.57 -1.16 -0.16 116.57 119.48 1jx4 h LYS 317 Ca 0.10 -0.16 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1jx4 h LYS 317 Cb 0.68 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1jx4 h LYS 317 CO 0.05 0.70 -0.53 -0.07 -0.57 0.00 0.00 179.45 179.03 1jx4 h LEU 318 N 0.69 0.97 -0.80 2.94 3.38 -0.76 -1.72 115.31 120.01 1jx4 h LEU 318 Ca 0.15 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1jx4 h LEU 318 Cb 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1jx4 h LEU 318 CO 0.01 1.32 0.46 0.25 0.09 0.00 0.00 178.44 180.56 1jx4 h LEU 319 N 0.66 0.99 -1.20 1.67 5.85 -0.46 -1.78 115.31 121.04 1jx4 h LEU 319 Ca 0.02 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1jx4 h LEU 319 Cb 1.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1jx4 h LEU 319 CO 0.12 0.79 0.54 1.56 -0.34 0.00 0.00 178.44 181.11 1jx4 h GLN 320 N 1.11 1.04 -0.89 1.25 4.20 -0.73 -1.00 115.11 120.09 1jx4 h GLN 320 Ca 0.28 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1jx4 h GLN 320 Cb 0.00 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.50 1jx4 h GLN 320 CO -0.05 0.69 0.58 -0.22 -0.67 0.00 0.00 178.83 179.16 1jx4 h LYS 321 N 1.08 1.18 -0.41 1.46 3.64 -0.54 0.46 116.57 123.45 1jx4 h LYS 321 Ca 0.31 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1jx4 h LYS 321 Cb -0.06 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.48 1jx4 h LYS 321 CO -0.08 0.80 0.11 0.82 -2.27 0.00 0.00 179.45 178.83 1jx4 h ILE 322 N 1.21 1.23 -0.57 2.00 2.04 -0.46 0.42 117.51 123.38 1jx4 h ILE 322 Ca 0.32 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 1jx4 h ILE 322 Cb -0.11 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1jx4 h ILE 322 CO -0.07 0.27 -0.03 -0.07 0.00 0.00 0.00 178.15 178.25 1jx4 h LEU 323 N 0.51 1.00 -1.02 1.44 4.07 -0.68 0.33 115.31 120.97 1jx4 h LEU 323 Ca 0.13 -0.29 -0.09 0.00 0.08 0.00 0.00 57.88 57.71 1jx4 h LEU 323 Cb 0.29 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1jx4 h LEU 323 CO -0.00 1.07 -0.42 -0.33 -1.08 0.00 0.00 178.44 177.69 1jx4 h GLU 324 N 0.93 0.00 -0.01 1.13 5.08 0.21 -3.29 114.58 118.62 1jx4 h GLU 324 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jx4 h GLU 324 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1jx4 h GLU 324 CO 0.03 0.42 -0.23 0.39 -1.00 0.00 0.00 179.01 178.62 1jx4 n GLU 325 N -3.70 1.61 -4.06 2.33 1.02 0.11 -4.92 120.64 113.03 1jx4 n GLU 325 Ca -0.01 -0.93 -0.17 0.00 -0.02 0.00 0.00 57.16 56.03 1jx4 n GLU 325 Cb 0.50 -1.25 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 1jx4 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jx4 s ASP 326 N -1.65 0.57 0.00 1.62 -1.08 0.08 -5.05 116.67 111.16 1jx4 s ASP 326 Ca 0.14 -0.07 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 1jx4 s ASP 326 Cb 0.12 -0.20 0.43 0.00 -1.46 0.00 0.00 42.92 41.81 1jx4 s ASP 326 CO 0.32 -0.03 1.36 -1.84 0.52 0.00 0.00 175.17 175.51 1jx4 n GLU 327 N 3.63 0.99 -1.45 4.34 0.28 -1.26 -4.53 120.64 122.64 1jx4 n GLU 327 Ca -0.21 -0.71 -0.31 0.00 -0.16 0.00 0.00 57.16 55.78 1jx4 n GLU 327 Cb 0.54 -1.49 0.08 0.00 1.43 0.00 0.00 31.44 32.00 1jx4 n GLU 327 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1jx4 s ARG 328 N -2.49 2.36 0.47 3.44 0.52 -1.26 -5.04 118.95 116.95 1jx4 s ARG 328 Ca 0.22 0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 56.16 1jx4 s ARG 328 Cb 0.19 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.64 1jx4 s ARG 328 CO 0.54 -1.50 0.95 0.15 0.02 0.00 0.00 175.30 175.47 1jx4 s LYS 329 N -5.02 4.04 -0.14 3.54 1.02 -1.26 -4.84 119.74 117.08 1jx4 s LYS 329 Ca 0.60 0.98 -0.07 0.00 0.02 0.00 0.00 55.97 57.50 1jx4 s LYS 329 Cb -0.15 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1jx4 s LYS 329 CO 0.55 -0.16 0.13 0.42 -0.92 0.00 0.00 175.35 175.37 1jx4 s ILE 330 N -2.43 5.38 -0.23 2.17 1.01 0.11 -0.96 121.20 126.24 1jx4 s ILE 330 Ca 0.59 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 61.38 1jx4 s ILE 330 Cb -0.10 -3.37 -0.13 0.00 0.01 0.00 0.00 42.46 38.88 1jx4 s ILE 330 CO 0.24 0.57 -0.24 -1.14 0.00 0.00 0.00 174.94 174.37 1jx4 n ARG 331 N 2.40 0.54 -4.27 2.79 0.63 0.68 -1.26 116.66 118.17 1jx4 n ARG 331 Ca -0.19 0.17 -0.20 0.00 -0.92 0.00 0.00 57.85 56.71 1jx4 n ARG 331 Cb 0.54 -1.41 -0.13 0.00 0.45 0.00 0.00 32.46 31.91 1jx4 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1jx4 s ARG 332 N -2.45 0.90 0.01 -0.14 0.52 -0.77 -4.64 118.95 112.39 1jx4 s ARG 332 Ca -0.32 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.02 1jx4 s ARG 332 Cb 0.10 -0.93 -0.01 0.00 0.52 0.00 0.00 34.95 34.63 1jx4 s ARG 332 CO 0.48 0.22 -0.02 -1.50 0.02 0.00 0.00 175.30 174.50 1jx4 s ILE 333 N -1.05 0.10 0.00 1.52 1.10 -0.63 -0.80 121.20 121.43 1jx4 s ILE 333 Ca 0.00 -0.47 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 1jx4 s ILE 333 Cb -0.09 -0.17 0.00 0.00 0.15 0.00 0.00 42.46 42.35 1jx4 s ILE 333 CO 0.02 -0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.22 1jx4 n GLY 334 N 2.33 1.21 3.11 1.50 0.00 -0.09 -1.19 105.19 112.06 1jx4 n GLY 334 Ca -0.18 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 1jx4 n GLY 334 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jx4 s VAL 335 N -2.48 0.17 -0.01 1.61 -7.23 -0.61 -1.20 120.40 110.65 1jx4 s VAL 335 Ca 0.00 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1jx4 s VAL 335 Cb 0.00 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1jx4 s VAL 335 CO 0.00 -0.76 0.01 -0.60 -0.31 0.00 0.00 175.10 173.44 1jx4 s ARG 336 N -3.27 0.01 -0.00 4.82 3.52 -0.00 -1.62 118.95 122.40 1jx4 s ARG 336 Ca 0.01 0.10 0.04 0.00 -0.13 0.00 0.00 55.73 55.75 1jx4 s ARG 336 Cb 0.03 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.22 1jx4 s ARG 336 CO -0.08 -0.09 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.14 1jx4 s PHE 337 N 0.62 2.74 0.10 5.12 0.08 0.14 -0.82 117.98 125.96 1jx4 s PHE 337 Ca -0.05 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1jx4 s PHE 337 Cb -0.08 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1jx4 s PHE 337 CO -0.02 0.28 0.15 -1.13 -0.10 0.00 0.00 175.22 174.40 1jx4 n SER 338 N 1.81 -0.42 -3.39 1.36 3.41 -0.72 -0.94 113.62 114.73 1jx4 n SER 338 Ca -0.16 -1.52 -0.18 0.00 -0.26 0.00 0.00 58.87 56.75 1jx4 n SER 338 Cb 0.52 0.76 0.04 0.00 -0.26 0.00 0.00 64.21 65.28 1jx4 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jx4 n LYS 339 N -0.16 -1.61 -2.39 4.33 5.02 -1.25 -1.88 118.16 120.21 1jx4 n LYS 339 Ca -0.00 0.88 -0.37 0.00 -2.02 0.00 0.00 58.31 56.80 1jx4 n LYS 339 Cb 0.16 -4.94 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 1jx4 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1jx4 s PHE 340 N -3.28 3.04 -2.00 2.13 0.08 -1.26 -0.96 117.98 115.72 1jx4 s PHE 340 Ca 0.31 1.58 0.26 0.00 0.12 0.00 0.00 56.93 59.21 1jx4 s PHE 340 Cb -0.08 -3.25 1.58 0.00 -0.57 0.00 0.00 43.02 40.70 1jx4 s PHE 340 CO 0.80 -1.11 1.93 -0.89 -0.10 0.00 0.00 175.22 175.85