#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4u s GLN 3 N 0.00 2.62 -0.03 4.33 -2.07 -1.26 -5.09 119.66 118.15 1j4u s GLN 3 Ca 0.00 -0.44 -0.02 0.00 -1.82 0.00 0.00 55.36 53.08 1j4u s GLN 3 Cb 0.00 -2.37 0.02 0.00 -1.09 0.00 0.00 33.01 29.56 1j4u s GLN 3 CO 0.00 -0.77 0.08 -0.08 -1.32 0.00 0.00 175.29 173.20 1j4u s THR 4 N -2.90 -0.02 -0.34 3.63 -1.32 -1.26 -5.09 115.64 108.35 1j4u s THR 4 Ca 0.56 0.07 -0.42 0.00 -1.21 0.00 0.00 61.69 60.69 1j4u s THR 4 Cb -0.10 -0.14 -0.17 0.00 -1.51 0.00 0.00 72.50 70.58 1j4u s THR 4 CO 0.41 0.03 1.74 -0.38 -2.21 0.00 0.00 174.62 174.20 1j4u n ILE 5 N 3.43 0.23 -4.50 5.08 5.41 -1.21 -4.71 119.36 123.10 1j4u n ILE 5 Ca -0.17 -0.05 -0.34 0.00 1.00 0.00 0.00 62.75 63.19 1j4u n ILE 5 Cb 0.57 -1.07 -0.12 0.00 -0.71 0.00 0.00 39.64 38.31 1j4u n ILE 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1j4u s THR 6 N 3.59 3.73 0.07 1.39 2.01 -1.26 -0.72 115.64 124.45 1j4u s THR 6 Ca 1.01 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.66 1j4u s THR 6 Cb -1.17 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1j4u s THR 6 CO 0.69 0.52 -0.20 -0.69 -0.69 0.00 0.00 174.62 174.25 1j4u s VAL 7 N 0.17 1.60 0.00 3.82 1.01 0.46 -4.97 120.40 122.49 1j4u s VAL 7 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1j4u s VAL 7 Cb -0.14 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1j4u s VAL 7 CO 0.03 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1j4u n GLY 8 N 1.46 0.71 0.00 4.51 0.00 -1.26 -2.35 105.19 108.26 1j4u n GLY 8 Ca -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1j4u n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j4u n SER 9 N 6.35 0.00 -4.80 1.61 7.64 -1.20 -4.95 113.62 118.27 1j4u n SER 9 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1j4u n SER 9 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1j4u n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1j4u s TRP 10 N -0.24 3.69 -0.99 1.43 0.51 -0.56 -4.84 118.94 117.94 1j4u s TRP 10 Ca 0.00 1.05 0.00 0.00 -2.12 0.00 0.00 56.10 55.03 1j4u s TRP 10 Cb 0.00 -2.43 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 1j4u s TRP 10 CO 0.00 0.50 0.00 0.41 -0.51 0.00 0.00 176.95 177.35 1j4u n GLY 11 N 2.19 0.47 3.98 0.98 0.00 -1.26 -1.41 105.19 110.13 1j4u n GLY 11 Ca -0.11 -2.22 -0.23 0.00 0.00 0.00 0.00 46.02 43.46 1j4u n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4u s GLY 12 N 0.00 2.02 0.00 -0.02 0.00 -0.69 -4.89 107.32 103.74 1j4u s GLY 12 Ca 0.00 -1.75 0.14 0.00 0.00 0.00 0.00 44.72 43.11 1j4u s GLY 12 CO 0.00 -1.80 1.39 -1.55 0.00 0.00 0.00 173.10 171.14 1j4u n PRO 13 N -2.03 1.53 -0.66 2.90 -0.04 -1.26 -4.22 135.00 131.23 1j4u n PRO 13 Ca 0.08 -0.82 -0.24 0.00 -0.04 0.00 0.00 63.50 62.49 1j4u n PRO 13 Cb 0.63 -1.28 0.21 0.00 -0.04 0.00 0.00 33.50 33.02 1j4u n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j4u n GLY 14 N 0.96 -3.01 7.00 0.55 0.00 -1.26 -4.90 105.19 104.53 1j4u n GLY 14 Ca 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1j4u n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4u n GLY 15 N -3.54 -0.50 3.76 -0.02 0.00 -1.26 -4.68 105.19 98.95 1j4u n GLY 15 Ca 0.12 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1j4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4u s ASN 16 N -4.00 5.81 0.86 1.61 0.02 -0.08 -4.81 114.94 114.35 1j4u s ASN 16 Ca 0.00 0.28 -0.11 0.00 -1.02 0.00 0.00 52.86 52.00 1j4u s ASN 16 Cb 0.00 -1.82 0.11 0.00 0.02 0.00 0.00 41.25 39.56 1j4u s ASN 16 CO 0.00 0.36 1.09 -0.83 0.02 0.00 0.00 177.10 177.74 1j4u s GLY 17 N -0.72 1.64 -0.19 0.66 0.00 -1.26 -1.59 107.32 105.86 1j4u s GLY 17 Ca 0.12 0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.64 1j4u s GLY 17 CO 0.03 0.52 0.84 0.66 0.00 0.00 0.00 173.10 175.14 1j4u s TRP 18 N -2.90 -0.59 -0.16 1.90 1.48 0.50 -4.86 118.94 114.31 1j4u s TRP 18 Ca 0.63 1.25 -0.05 0.00 -1.06 0.00 0.00 56.10 56.88 1j4u s TRP 18 Cb -0.18 0.37 0.06 0.00 -1.16 0.00 0.00 33.47 32.56 1j4u s TRP 18 CO 0.57 -0.40 0.08 0.34 -4.06 0.00 0.00 176.95 173.47 1j4u s ASP 19 N -0.42 2.33 0.30 -2.66 3.68 -1.26 -0.43 116.67 118.21 1j4u s ASP 19 Ca -0.03 -0.59 0.26 0.00 2.13 0.00 0.00 52.55 54.32 1j4u s ASP 19 Cb -0.03 -0.28 0.97 0.00 -1.45 0.00 0.00 42.92 42.13 1j4u s ASP 19 CO 0.02 -0.34 1.76 -0.33 0.13 0.00 0.00 175.17 176.42 1j4u h GLU 20 N 8.40 0.00 0.00 4.34 5.08 -1.87 -3.49 114.58 127.03 1j4u h GLU 20 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1j4u h GLU 20 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1j4u h GLU 20 CO 0.29 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 1j4u n GLY 21 N 0.36 -1.80 3.80 -3.84 0.00 -1.26 -4.95 105.19 97.51 1j4u n GLY 21 Ca 0.03 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 1j4u n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4u s SER 22 N -4.00 5.74 0.00 1.61 0.01 -1.26 -4.20 113.70 111.60 1j4u s SER 22 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1j4u s SER 22 Cb 0.00 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1j4u s SER 22 CO 0.00 0.25 0.00 -1.22 0.41 0.00 0.00 173.24 172.68 1j4u n TYR 23 N 0.99 0.00 -0.03 2.43 4.02 -0.46 -5.01 117.16 119.11 1j4u n TYR 23 Ca -0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1j4u n TYR 23 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.70 1j4u n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j4u n THR 24 N 0.00 1.60 -3.91 -0.72 -1.04 0.26 -4.90 114.28 105.57 1j4u n THR 24 Ca 0.00 -0.79 0.01 0.00 -2.04 0.00 0.00 64.05 61.23 1j4u n THR 24 Cb 0.00 -1.02 0.01 0.00 -1.82 0.00 0.00 70.33 67.50 1j4u n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j4u n GLY 25 N 1.60 0.47 3.32 3.41 0.00 -1.07 -4.91 105.19 108.02 1j4u n GLY 25 Ca -0.19 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 1j4u n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4u s ILE 26 N -2.10 2.55 -0.16 -0.61 1.01 -1.26 -0.36 121.20 120.27 1j4u s ILE 26 Ca 0.13 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1j4u s ILE 26 Cb -0.00 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 1j4u s ILE 26 CO -0.00 0.55 -0.19 0.54 0.00 0.00 0.00 174.94 175.84 1j4u n ARG 27 N 3.19 0.35 -3.92 2.79 1.74 -0.29 -4.82 116.66 115.71 1j4u n ARG 27 Ca -0.18 0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 1j4u n ARG 27 Cb 0.52 -1.14 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 1j4u n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4u s GLN 28 N -2.30 0.27 -0.07 5.56 0.74 -0.96 -1.66 119.66 121.24 1j4u s GLN 28 Ca -0.22 -0.34 0.04 0.00 0.05 0.00 0.00 55.36 54.88 1j4u s GLN 28 Cb 0.08 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1j4u s GLN 28 CO 0.30 -0.05 -0.19 0.42 -0.55 0.00 0.00 175.29 175.22 1j4u s ILE 29 N -0.96 1.65 -0.14 -2.34 1.01 -0.36 -0.78 121.20 119.29 1j4u s ILE 29 Ca -0.11 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1j4u s ILE 29 Cb -0.06 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1j4u s ILE 29 CO -0.00 0.47 -0.22 -1.61 0.00 0.00 0.00 174.94 173.58 1j4u s GLU 30 N 0.30 2.98 0.00 2.79 2.02 -0.45 0.33 118.70 126.65 1j4u s GLU 30 Ca -0.12 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 53.95 1j4u s GLU 30 Cb -0.15 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1j4u s GLU 30 CO 0.05 -0.01 0.16 -0.48 0.02 0.00 0.00 175.26 175.01 1j4u s LEU 31 N 0.79 1.47 0.10 1.80 0.05 -0.83 -1.79 118.68 120.27 1j4u s LEU 31 Ca -0.08 -0.17 0.05 0.00 0.05 0.00 0.00 54.13 53.99 1j4u s LEU 31 Cb -0.16 0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 1j4u s LEU 31 CO -0.01 -0.38 -0.02 -0.94 -0.55 0.00 0.00 176.35 174.45 1j4u s SER 32 N -1.37 4.89 0.20 1.48 1.04 -0.75 -1.37 113.70 117.82 1j4u s SER 32 Ca -0.14 -0.23 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1j4u s SER 32 Cb -0.07 -1.12 0.01 0.00 0.10 0.00 0.00 66.02 64.94 1j4u s SER 32 CO 0.02 0.17 0.48 -0.72 0.98 0.00 0.00 173.24 174.17 1j4u s TYR 33 N -1.32 0.06 0.00 5.02 -0.85 -0.29 -0.89 117.35 119.08 1j4u s TYR 33 Ca 0.25 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 1j4u s TYR 33 Cb -0.11 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1j4u s TYR 33 CO 0.18 -0.92 0.00 1.17 -1.52 0.00 0.00 175.55 174.46 1j4u n LYS 34 N -0.33 0.00 0.02 -3.49 3.00 -1.26 -2.10 118.16 114.00 1j4u n LYS 34 Ca -0.08 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.36 1j4u n LYS 34 Cb 0.62 0.00 0.28 0.00 0.00 0.00 0.00 35.03 35.93 1j4u n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4u n GLU 35 N 0.00 0.10 -3.18 1.64 4.71 -1.26 -3.56 120.64 119.08 1j4u n GLU 35 Ca 0.00 0.03 -0.08 0.00 -0.01 0.00 0.00 57.16 57.10 1j4u n GLU 35 Cb 0.00 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.87 1j4u n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4u n ALA 36 N -1.61 -0.88 -2.72 0.62 0.00 -1.25 -3.07 120.51 111.61 1j4u n ALA 36 Ca 0.05 -1.05 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 1j4u n ALA 36 Cb 0.37 0.84 -0.07 0.00 0.00 0.00 0.00 19.45 20.59 1j4u n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j4u s ILE 37 N -2.49 5.25 0.00 0.00 -1.09 -0.83 -4.40 121.20 117.64 1j4u s ILE 37 Ca 0.16 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1j4u s ILE 37 Cb -0.02 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1j4u s ILE 37 CO 0.12 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1j4u n GLY 38 N 3.45 -0.18 3.78 6.18 0.00 -0.07 -1.04 105.19 117.31 1j4u n GLY 38 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1j4u n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4u s SER 39 N -0.31 7.28 -0.28 1.61 0.01 -1.25 -3.64 113.70 117.12 1j4u s SER 39 Ca 0.00 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.11 1j4u s SER 39 Cb 0.00 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.81 1j4u s SER 39 CO 0.00 -0.11 0.42 0.12 0.41 0.00 0.00 173.24 174.08 1j4u s PHE 40 N -1.66 -1.05 0.06 2.43 2.19 -0.42 -1.82 117.98 117.71 1j4u s PHE 40 Ca 0.51 0.61 0.04 0.00 0.33 0.00 0.00 56.93 58.43 1j4u s PHE 40 Cb -0.18 -0.03 -0.03 0.00 -1.31 0.00 0.00 43.02 41.48 1j4u s PHE 40 CO 0.23 -0.91 -0.11 -1.54 1.83 0.00 0.00 175.22 174.72 1j4u s SER 41 N 2.58 1.30 0.07 6.13 1.04 -0.74 -3.36 113.70 120.72 1j4u s SER 41 Ca 0.11 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.00 1j4u s SER 41 Cb -0.13 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1j4u s SER 41 CO -0.25 -0.13 -0.09 0.54 0.98 0.00 0.00 173.24 174.30 1j4u s VAL 42 N -1.28 0.73 -0.35 5.02 0.11 -1.26 -1.35 120.40 122.02 1j4u s VAL 42 Ca -0.05 -1.44 -0.10 0.00 -2.93 0.00 0.00 61.98 57.46 1j4u s VAL 42 Cb -0.10 -1.09 0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1j4u s VAL 42 CO 0.01 -0.52 0.17 -0.63 -3.33 0.00 0.00 175.10 170.80 1j4u s ILE 43 N -2.14 4.38 0.85 7.04 1.01 0.04 -1.80 121.20 130.58 1j4u s ILE 43 Ca -0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1j4u s ILE 43 Cb -0.05 -3.40 0.18 0.00 0.01 0.00 0.00 42.46 39.20 1j4u s ILE 43 CO -0.01 -0.15 1.17 -0.31 0.00 0.00 0.00 174.94 175.64 1j4u s TYR 44 N 1.53 1.24 -0.20 3.97 2.02 0.10 -1.14 117.35 124.88 1j4u s TYR 44 Ca 0.02 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1j4u s TYR 44 Cb -0.19 -3.51 -0.01 0.00 -0.40 0.00 0.00 41.96 37.86 1j4u s TYR 44 CO 0.06 -2.28 -0.08 0.34 -1.57 0.00 0.00 175.55 172.01 1j4u s ASP 45 N -4.88 4.09 -0.66 2.29 2.15 0.51 -0.29 116.67 119.89 1j4u s ASP 45 Ca 0.72 -0.41 -0.06 0.00 0.43 0.00 0.00 52.55 53.22 1j4u s ASP 45 Cb -0.03 -1.68 0.17 0.00 -0.30 0.00 0.00 42.92 41.08 1j4u s ASP 45 CO 0.49 0.02 0.51 -0.22 -0.17 0.00 0.00 175.17 175.80 1j4u s LEU 46 N 1.24 5.67 -1.33 -1.34 2.96 0.88 -0.57 118.68 126.19 1j4u s LEU 46 Ca 0.03 -2.73 -0.09 0.00 -0.22 0.00 0.00 54.13 51.12 1j4u s LEU 46 Cb -0.14 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1j4u s LEU 46 CO -0.03 -0.45 1.13 0.59 -1.32 0.00 0.00 176.35 176.27 1j4u n ASN 47 N 3.73 -6.27 0.00 3.68 5.03 -1.26 -2.91 115.26 117.27 1j4u n ASN 47 Ca 0.08 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.02 1j4u n ASN 47 Cb 0.40 -4.90 0.00 0.00 -1.02 0.00 0.00 39.78 34.26 1j4u n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4u n GLY 48 N -1.96 3.08 3.83 7.41 0.00 -1.26 -5.05 105.19 111.24 1j4u n GLY 48 Ca 0.00 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1j4u n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4u s ASP 49 N 0.01 6.82 0.22 1.61 1.11 -1.14 -5.03 116.67 120.26 1j4u s ASP 49 Ca 0.00 0.97 -0.30 0.00 0.18 0.00 0.00 52.55 53.40 1j4u s ASP 49 Cb 0.00 -2.26 -0.10 0.00 1.07 0.00 0.00 42.92 41.63 1j4u s ASP 49 CO 0.00 0.30 1.42 -2.16 1.18 0.00 0.00 175.17 175.91 1j4u s PRO 50 N -0.96 4.29 -0.17 8.23 0.04 -1.26 -0.08 135.00 145.09 1j4u s PRO 50 Ca 0.24 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1j4u s PRO 50 Cb -0.17 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1j4u s PRO 50 CO 0.13 -0.41 -0.11 0.12 0.04 0.00 0.00 177.00 176.77 1j4u s PHE 51 N 0.22 2.20 -0.13 0.56 5.36 0.61 -4.81 117.98 121.99 1j4u s PHE 51 Ca 0.60 -1.34 -0.29 0.00 -0.96 0.00 0.00 56.93 54.94 1j4u s PHE 51 Cb -0.41 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 40.69 1j4u s PHE 51 CO 0.40 -0.69 1.00 -1.54 -1.46 0.00 0.00 175.22 172.93 1j4u s SER 52 N 1.47 7.20 0.86 6.13 1.04 -1.26 0.01 113.70 129.15 1j4u s SER 52 Ca 0.02 1.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.85 1j4u s SER 52 Cb -0.14 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.60 1j4u s SER 52 CO -0.09 -0.48 1.08 0.61 0.98 0.00 0.00 173.24 175.34 1j4u n GLY 53 N 3.15 -0.40 3.53 7.32 0.00 -0.75 -4.92 105.19 113.13 1j4u n GLY 53 Ca 0.09 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 1j4u n GLY 53 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4u n PRO 54 N -3.17 0.96 -3.15 1.61 -0.02 -1.26 -4.69 135.00 125.29 1j4u n PRO 54 Ca 0.15 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 1j4u n PRO 54 Cb 0.54 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 1j4u n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4u s LYS 55 N -1.52 4.15 -0.80 -0.52 -0.14 -1.26 -4.45 119.74 115.19 1j4u s LYS 55 Ca 0.61 0.52 0.02 0.00 -1.36 0.00 0.00 55.97 55.76 1j4u s LYS 55 Cb -0.70 -3.61 0.29 0.00 -1.68 0.00 0.00 37.83 32.13 1j4u s LYS 55 CO 0.59 -0.31 1.13 0.72 -0.76 0.00 0.00 175.35 176.71 1j4u n HIS 56 N 5.34 3.21 -2.69 3.18 8.25 -1.21 -5.00 115.22 126.30 1j4u n HIS 56 Ca -0.02 -3.48 -0.29 0.00 -0.26 0.00 0.00 57.72 53.66 1j4u n HIS 56 Cb 0.49 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 1j4u n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1j4u s THR 57 N -3.15 4.81 0.21 1.59 -4.23 -1.26 -1.31 115.64 112.30 1j4u s THR 57 Ca 0.39 0.54 0.11 0.00 -1.18 0.00 0.00 61.69 61.55 1j4u s THR 57 Cb 0.15 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 1j4u s THR 57 CO -0.01 -0.68 -0.22 -0.94 -0.54 0.00 0.00 174.62 172.22 1j4u s SER 58 N -3.53 3.38 0.18 3.99 1.04 -1.26 -4.86 113.70 112.64 1j4u s SER 58 Ca 0.51 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1j4u s SER 58 Cb -0.10 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.85 1j4u s SER 58 CO 0.37 0.08 1.46 0.11 0.98 0.00 0.00 173.24 176.25 1j4u h LYS 59 N 2.96 0.48 -5.20 4.02 1.57 -1.89 -3.45 116.57 115.05 1j4u h LYS 59 Ca -0.44 -0.35 -0.72 0.00 -1.87 0.00 0.00 60.65 57.27 1j4u h LYS 59 Cb 1.22 0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.62 1j4u h LYS 59 CO 0.51 0.97 0.31 1.28 -0.57 0.00 0.00 179.45 181.95 1j4u n LEU 60 N -3.90 0.49 -3.60 2.94 7.99 -1.26 -4.70 117.00 114.97 1j4u n LEU 60 Ca -0.04 1.02 -0.44 0.00 -0.01 0.00 0.00 56.01 56.54 1j4u n LEU 60 Cb 0.66 -0.78 -0.08 0.00 -0.11 0.00 0.00 43.42 43.11 1j4u n LEU 60 CO 0.48 -1.22 1.87 -0.81 -1.51 0.00 0.00 177.39 176.20 1j4u n PRO 61 N 2.33 0.94 -3.18 3.23 -0.04 -1.26 -4.91 135.00 132.10 1j4u n PRO 61 Ca 0.22 -1.54 -0.20 0.00 -0.04 0.00 0.00 63.50 61.94 1j4u n PRO 61 Cb 0.01 -2.78 0.01 0.00 -0.04 0.00 0.00 33.50 30.70 1j4u n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4u s TYR 62 N 5.91 3.08 -0.01 0.54 1.51 -1.26 -5.06 117.35 122.06 1j4u s TYR 62 Ca 0.62 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 56.28 1j4u s TYR 62 Cb 0.14 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1j4u s TYR 62 CO 0.20 -0.26 1.11 -1.59 -1.11 0.00 0.00 175.55 173.91 1j4u s LYS 63 N -4.37 4.45 0.47 -0.62 0.00 -0.89 -4.73 119.74 114.04 1j4u s LYS 63 Ca 0.49 1.60 -0.02 0.00 0.00 0.00 0.00 55.97 58.04 1j4u s LYS 63 Cb -0.10 -3.46 -0.01 0.00 0.00 0.00 0.00 37.83 34.26 1j4u s LYS 63 CO 0.34 -0.26 0.72 -0.80 0.00 0.00 0.00 175.35 175.35 1j4u s ASN 64 N 1.16 5.93 -0.22 0.03 -0.87 -1.26 -1.14 114.94 118.57 1j4u s ASN 64 Ca 0.55 0.51 -0.22 0.00 -1.57 0.00 0.00 52.86 52.13 1j4u s ASN 64 Cb -0.24 -1.77 0.06 0.00 -0.02 0.00 0.00 41.25 39.28 1j4u s ASN 64 CO 0.26 -0.69 0.61 0.54 -2.57 0.00 0.00 177.10 175.25 1j4u s VAL 65 N -2.64 0.00 -0.10 1.60 0.11 -0.47 -4.95 120.40 113.95 1j4u s VAL 65 Ca 0.48 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1j4u s VAL 65 Cb -0.10 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1j4u s VAL 65 CO 0.40 -0.00 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.58 1j4u s LYS 66 N 0.25 3.12 -0.35 1.54 1.02 -1.26 -1.97 119.74 122.09 1j4u s LYS 66 Ca -0.01 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1j4u s LYS 66 Cb -0.04 -2.74 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 1j4u s LYS 66 CO 0.01 0.52 0.08 0.42 -0.92 0.00 0.00 175.35 175.46 1j4u s ILE 67 N -0.41 2.89 -0.40 2.17 1.01 0.15 -4.94 121.20 121.68 1j4u s ILE 67 Ca 0.06 -1.86 -0.18 0.00 0.00 0.00 0.00 60.65 58.68 1j4u s ILE 67 Cb -0.12 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1j4u s ILE 67 CO 0.02 -0.42 0.48 -1.61 0.00 0.00 0.00 174.94 173.40 1j4u s GLU 68 N 1.13 3.31 0.17 2.79 2.02 -1.26 -1.22 118.70 125.64 1j4u s GLU 68 Ca 0.03 -0.51 -0.26 0.00 0.02 0.00 0.00 54.97 54.25 1j4u s GLU 68 Cb -0.21 -3.90 -0.08 0.00 0.10 0.00 0.00 34.13 30.04 1j4u s GLU 68 CO -0.04 -0.78 0.80 -0.51 0.02 0.00 0.00 175.26 174.75 1j4u s LEU 69 N 2.29 4.60 -1.33 1.80 2.01 -0.66 -4.92 118.68 122.45 1j4u s LEU 69 Ca 0.15 1.68 -0.14 0.00 0.01 0.00 0.00 54.13 55.82 1j4u s LEU 69 Cb -0.16 -3.33 -0.02 0.00 0.01 0.00 0.00 46.19 42.68 1j4u s LEU 69 CO 0.14 0.19 2.29 2.29 1.01 0.00 0.00 176.35 182.27 1j4u n LYS 70 N 1.64 2.71 -2.00 1.70 2.85 -1.26 -4.89 118.16 118.90 1j4u n LYS 70 Ca -0.05 -2.34 -0.38 0.00 -1.05 0.00 0.00 58.31 54.49 1j4u n LYS 70 Cb 0.49 -3.10 0.01 0.00 -0.65 0.00 0.00 35.03 31.78 1j4u n LYS 70 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1j4u s PHE 71 N 3.37 2.60 -1.52 5.58 2.19 -1.26 -1.23 117.98 127.71 1j4u s PHE 71 Ca 0.52 1.43 0.20 0.00 0.33 0.00 0.00 56.93 59.42 1j4u s PHE 71 Cb 0.15 -3.63 0.70 0.00 -1.31 0.00 0.00 43.02 38.92 1j4u s PHE 71 CO -0.04 -2.25 1.60 -0.35 1.83 0.00 0.00 175.22 176.00 1j4u n PRO 72 N -0.60 3.30 0.13 10.12 -0.04 -1.26 -4.83 135.00 141.83 1j4u n PRO 72 Ca 0.08 -2.78 0.01 0.00 -0.04 0.00 0.00 63.50 60.77 1j4u n PRO 72 Cb 0.46 -1.76 0.08 0.00 -0.04 0.00 0.00 33.50 32.23 1j4u n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4u h ASP 73 N 4.21 0.00 -3.78 3.54 3.32 -1.82 -3.44 116.42 118.46 1j4u h ASP 73 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1j4u h ASP 73 Cb 1.26 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.56 1j4u h ASP 73 CO 0.14 0.59 -0.77 -0.70 -1.72 0.00 0.00 179.24 176.78 1j4u s GLU 74 N -3.09 2.82 0.05 3.56 2.12 -0.37 -4.87 118.70 118.92 1j4u s GLU 74 Ca 0.02 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.54 1j4u s GLU 74 Cb 0.09 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 32.02 1j4u s GLU 74 CO 0.75 0.48 0.28 -0.59 -0.54 0.00 0.00 175.26 175.64 1j4u s PHE 75 N -0.36 -0.05 0.21 5.30 -0.71 -1.26 -4.19 117.98 116.91 1j4u s PHE 75 Ca 0.04 -0.14 -0.32 0.00 -1.04 0.00 0.00 56.93 55.46 1j4u s PHE 75 Cb -0.12 0.07 -0.13 0.00 -1.21 0.00 0.00 43.02 41.62 1j4u s PHE 75 CO 0.02 -0.51 1.61 1.28 -1.34 0.00 0.00 175.22 176.29 1j4u n LEU 76 N 0.47 3.67 -0.02 -1.99 4.32 -1.26 -1.70 117.00 120.49 1j4u n LEU 76 Ca -0.18 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.91 1j4u n LEU 76 Cb 0.60 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.89 1j4u n LEU 76 CO 0.21 -0.06 0.21 -1.84 -1.22 0.00 0.00 177.39 174.69 1j4u n GLU 77 N 3.19 0.60 -3.63 3.23 0.28 0.27 -4.74 120.64 119.83 1j4u n GLU 77 Ca 0.14 -0.43 -0.13 0.00 -0.16 0.00 0.00 57.16 56.59 1j4u n GLU 77 Cb 0.33 -0.91 -0.07 0.00 1.43 0.00 0.00 31.44 32.21 1j4u n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4u s SER 78 N -0.24 -0.77 -0.08 -1.84 0.15 -1.09 -0.56 113.70 109.27 1j4u s SER 78 Ca 0.00 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1j4u s SER 78 Cb 0.00 1.45 0.02 0.00 -1.71 0.00 0.00 66.02 65.78 1j4u s SER 78 CO 0.01 -0.25 -0.07 -0.69 1.20 0.00 0.00 173.24 173.45 1j4u s VAL 79 N 0.55 0.83 0.16 4.45 1.01 -0.76 -2.43 120.40 124.21 1j4u s VAL 79 Ca -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1j4u s VAL 79 Cb -0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1j4u s VAL 79 CO -0.02 0.31 0.18 -0.94 0.00 0.00 0.00 175.10 174.63 1j4u s SER 80 N 1.31 0.16 0.00 3.32 1.04 -0.92 -0.16 113.70 118.45 1j4u s SER 80 Ca -0.04 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1j4u s SER 80 Cb -0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1j4u s SER 80 CO -0.03 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1j4u n GLY 81 N -0.19 -1.34 3.33 7.32 0.00 -0.41 -0.68 105.19 113.22 1j4u n GLY 81 Ca -0.05 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1j4u n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4u s TYR 82 N -2.77 2.13 -0.03 1.61 2.02 -0.78 -1.88 117.35 117.66 1j4u s TYR 82 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1j4u s TYR 82 Cb 0.00 -1.22 -0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1j4u s TYR 82 CO 0.00 0.19 -0.12 -0.08 -1.57 0.00 0.00 175.55 173.98 1j4u s THR 83 N -0.93 0.97 -0.19 -0.71 -1.32 -0.73 -1.00 115.64 111.74 1j4u s THR 83 Ca 0.11 -0.48 -0.34 0.00 -1.21 0.00 0.00 61.69 59.77 1j4u s THR 83 Cb -0.10 -0.85 0.14 0.00 -1.51 0.00 0.00 72.50 70.19 1j4u s THR 83 CO 0.03 0.29 1.19 -0.83 -2.21 0.00 0.00 174.62 173.09 1j4u s GLY 84 N 0.06 -0.26 0.87 6.08 0.00 -0.71 -0.11 107.32 113.25 1j4u s GLY 84 Ca -0.02 1.73 -0.11 0.00 0.00 0.00 0.00 44.72 46.32 1j4u s GLY 84 CO 0.01 0.62 1.10 2.56 0.00 0.00 0.00 173.10 177.39 1j4u s PRO 85 N -2.21 1.46 -0.12 2.90 0.04 -1.26 -1.23 135.00 134.57 1j4u s PRO 85 Ca 0.08 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.27 1j4u s PRO 85 Cb -0.01 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 1j4u s PRO 85 CO -0.05 -2.19 -0.18 0.12 0.04 0.00 0.00 177.00 174.74 1j4u s PHE 86 N -2.82 2.71 0.00 0.56 5.99 -1.26 -4.83 117.98 118.32 1j4u s PHE 86 Ca 0.64 -0.87 0.00 0.00 0.00 0.00 0.00 56.93 56.70 1j4u s PHE 86 Cb -0.19 -1.80 0.00 0.00 0.00 0.00 0.00 43.02 41.03 1j4u s PHE 86 CO 0.57 -0.34 0.29 0.43 -0.00 0.00 0.00 175.22 176.18 1j4u n SER 87 N 3.60 0.00 -0.21 6.13 7.64 -1.26 -3.96 113.62 125.56 1j4u n SER 87 Ca -0.19 0.54 0.11 0.00 1.01 0.00 0.00 58.87 60.35 1j4u n SER 87 Cb 0.53 -0.38 0.21 0.00 -1.01 0.00 0.00 64.21 63.56 1j4u n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j4u n ALA 88 N -1.63 0.37 -2.72 -0.43 0.00 -1.26 -1.52 120.51 113.33 1j4u n ALA 88 Ca 0.00 0.66 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 1j4u n ALA 88 Cb 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1j4u n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j4u n LEU 89 N -4.74 6.83 0.00 0.00 4.77 -1.25 -4.97 117.00 117.63 1j4u n LEU 89 Ca 0.16 -5.13 0.00 0.00 -0.03 0.00 0.00 56.01 51.02 1j4u n LEU 89 Cb 0.54 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1j4u n LEU 89 CO -0.04 1.75 0.00 0.00 -1.33 0.00 0.00 177.39 177.77 1j4u n ALA 90 N 1.50 0.00 -3.56 -1.18 0.00 -0.57 -4.85 120.51 111.85 1j4u n ALA 90 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 1j4u n ALA 90 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 1j4u n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4u s THR 91 N 0.00 -0.02 -0.06 0.00 -1.32 -1.26 -5.04 115.64 107.94 1j4u s THR 91 Ca 0.00 0.08 0.31 0.00 -1.21 0.00 0.00 61.69 60.87 1j4u s THR 91 Cb 0.00 -0.53 0.36 0.00 -1.51 0.00 0.00 72.50 70.82 1j4u s THR 91 CO 0.00 0.03 1.91 1.55 -2.21 0.00 0.00 174.62 175.90 1j4u h PRO 92 N 6.66 0.00 -6.23 7.08 0.13 -1.90 -3.40 132.00 134.35 1j4u h PRO 92 Ca -0.34 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 1j4u h PRO 92 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1j4u h PRO 92 CO 0.31 0.00 -0.38 -0.08 -0.23 0.00 0.00 178.00 177.62 1j4u s THR 93 N -3.57 5.24 0.80 1.56 -1.32 -1.26 -4.93 115.64 112.16 1j4u s THR 93 Ca 0.02 -0.73 -0.14 0.00 -1.21 0.00 0.00 61.69 59.63 1j4u s THR 93 Cb 0.09 -3.82 0.08 0.00 -1.51 0.00 0.00 72.50 67.34 1j4u s THR 93 CO 0.51 -0.30 1.19 -2.65 -2.21 0.00 0.00 174.62 171.17 1j4u n PRO 94 N -1.19 0.24 -3.92 7.08 -0.02 -1.26 -4.30 135.00 131.63 1j4u n PRO 94 Ca -0.07 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 1j4u n PRO 94 Cb 0.56 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1j4u n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4u s VAL 95 N -2.08 0.11 -0.43 -1.45 1.01 -0.37 -2.91 120.40 114.29 1j4u s VAL 95 Ca 0.74 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 1j4u s VAL 95 Cb -0.30 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1j4u s VAL 95 CO 0.50 -0.51 1.37 0.68 0.00 0.00 0.00 175.10 177.14 1j4u s VAL 96 N -1.96 3.95 -0.06 2.92 -7.23 -0.54 -1.74 120.40 115.75 1j4u s VAL 96 Ca -0.10 0.96 -0.22 0.00 -1.81 0.00 0.00 61.98 60.81 1j4u s VAL 96 Cb -0.05 -4.28 -0.31 0.00 0.56 0.00 0.00 36.38 32.30 1j4u s VAL 96 CO -0.02 -0.81 0.87 0.03 -0.31 0.00 0.00 175.10 174.86 1j4u h ARG 97 N 10.47 0.28 -5.56 4.82 2.47 -1.33 -2.20 114.38 123.33 1j4u h ARG 97 Ca -0.27 -0.47 -0.44 0.00 -1.26 0.00 0.00 59.98 57.54 1j4u h ARG 97 Cb 1.10 0.18 -0.17 0.00 -1.65 0.00 0.00 29.97 29.42 1j4u h ARG 97 CO 1.10 1.23 -0.76 0.45 0.56 0.00 0.00 179.97 182.54 1j4u s SER 98 N -6.93 2.25 -0.06 7.04 0.15 -1.10 -3.26 113.70 111.78 1j4u s SER 98 Ca -0.14 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 55.59 1j4u s SER 98 Cb 0.01 -0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1j4u s SER 98 CO 0.82 -0.13 0.17 -0.22 1.20 0.00 0.00 173.24 175.08 1j4u s LEU 99 N -2.66 1.25 -0.12 3.45 2.96 -0.84 -1.86 118.68 120.86 1j4u s LEU 99 Ca 0.13 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1j4u s LEU 99 Cb -0.04 0.56 0.05 0.00 0.50 0.00 0.00 46.19 47.26 1j4u s LEU 99 CO 0.04 -0.07 0.27 0.28 -1.32 0.00 0.00 176.35 175.55 1j4u s THR 100 N 0.26 -0.17 0.12 3.68 -1.32 0.15 -0.97 115.64 117.39 1j4u s THR 100 Ca -0.01 0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.69 1j4u s THR 100 Cb -0.03 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1j4u s THR 100 CO -0.01 0.08 0.10 -0.36 -2.21 0.00 0.00 174.62 172.22 1j4u s PHE 101 N 1.68 3.16 -0.07 9.09 0.40 -1.23 -2.15 117.98 128.85 1j4u s PHE 101 Ca -0.06 0.03 -0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1j4u s PHE 101 Cb -0.11 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1j4u s PHE 101 CO -0.09 0.52 -0.03 0.21 0.70 0.00 0.00 175.22 176.53 1j4u s LYS 102 N -2.74 0.89 0.31 0.44 2.47 -1.02 -0.37 119.74 119.71 1j4u s LYS 102 Ca 0.30 -0.04 0.02 0.00 -1.56 0.00 0.00 55.97 54.69 1j4u s LYS 102 Cb -0.11 -1.07 -0.03 0.00 -1.46 0.00 0.00 37.83 35.16 1j4u s LYS 102 CO 0.22 -0.22 0.48 0.95 0.16 0.00 0.00 175.35 176.94 1j4u s THR 103 N 1.59 5.09 0.48 3.43 -4.23 0.37 -0.57 115.64 121.80 1j4u s THR 103 Ca -0.00 -0.68 0.40 0.00 -1.18 0.00 0.00 61.69 60.23 1j4u s THR 103 Cb -0.13 -3.83 0.41 0.00 1.34 0.00 0.00 72.50 70.28 1j4u s THR 103 CO -0.04 -0.45 2.23 -0.55 -0.54 0.00 0.00 174.62 175.27 1j4u h ASN 104 N 0.90 0.00 -0.10 3.99 -0.00 -1.63 -1.46 115.58 117.28 1j4u h ASN 104 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 1j4u h ASN 104 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 1j4u h ASN 104 CO 0.61 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 178.33 1j4u n LYS 105 N -2.94 1.28 0.00 4.14 4.76 -1.26 -4.87 118.16 119.26 1j4u n LYS 105 Ca -0.02 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 54.99 1j4u n LYS 105 Cb 0.09 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1j4u n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j4u n GLY 106 N 0.79 2.94 3.69 0.72 0.00 -0.55 -5.01 105.19 107.76 1j4u n GLY 106 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1j4u n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4u s ARG 107 N -0.66 4.24 -0.14 1.61 0.52 -1.26 -4.80 118.95 118.46 1j4u s ARG 107 Ca 0.00 2.11 0.01 0.00 -0.52 0.00 0.00 55.73 57.33 1j4u s ARG 107 Cb 0.00 -3.62 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 1j4u s ARG 107 CO 0.00 -0.66 -0.16 -0.08 0.02 0.00 0.00 175.30 174.42 1j4u s THR 108 N 2.64 2.65 -0.86 0.02 -1.32 -1.26 -0.47 115.64 117.03 1j4u s THR 108 Ca 0.68 -0.79 -0.18 0.00 -1.21 0.00 0.00 61.69 60.19 1j4u s THR 108 Cb -0.34 -2.10 0.14 0.00 -1.51 0.00 0.00 72.50 68.68 1j4u s THR 108 CO 0.29 0.52 1.01 -0.36 -2.21 0.00 0.00 174.62 173.87 1j4u s PHE 109 N 0.66 3.17 0.00 9.09 0.40 0.50 -4.98 117.98 126.82 1j4u s PHE 109 Ca -0.08 -1.37 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 1j4u s PHE 109 Cb -0.16 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.19 1j4u s PHE 109 CO 0.02 -1.40 0.00 0.41 0.70 0.00 0.00 175.22 174.95 1j4u n GLY 110 N 5.21 0.00 3.70 4.36 0.00 -1.26 -3.49 105.19 113.71 1j4u n GLY 110 Ca 0.17 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.62 1j4u n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4u n PRO 111 N 0.00 1.20 -3.70 1.61 -0.04 -1.26 -4.78 135.00 128.02 1j4u n PRO 111 Ca 0.00 0.44 -0.36 0.00 -0.04 0.00 0.00 63.50 63.54 1j4u n PRO 111 Cb 0.00 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 1j4u n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4u s TYR 112 N 3.70 3.44 0.00 0.54 1.51 -0.14 -4.91 117.35 121.49 1j4u s TYR 112 Ca 0.99 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1j4u s TYR 112 Cb -1.05 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1j4u s TYR 112 CO 0.65 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.83 1j4u n GLY 113 N 3.32 -0.06 3.77 0.71 0.00 -1.26 -1.99 105.19 109.68 1j4u n GLY 113 Ca -0.16 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1j4u n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4u s ASP 114 N -1.75 6.33 -1.23 1.61 -0.00 -1.17 -4.57 116.67 115.88 1j4u s ASP 114 Ca 0.00 3.04 -0.07 0.00 -0.00 0.00 0.00 52.55 55.53 1j4u s ASP 114 Cb 0.00 -2.66 0.19 0.00 -0.00 0.00 0.00 42.92 40.46 1j4u s ASP 114 CO 0.00 -0.91 1.94 -0.62 -0.00 0.00 0.00 175.17 175.58 1j4u n GLU 115 N 0.97 4.20 -4.11 8.23 1.02 -1.26 -3.23 120.64 126.47 1j4u n GLU 115 Ca 0.03 -3.80 -0.13 0.00 -0.02 0.00 0.00 57.16 53.24 1j4u n GLU 115 Cb 0.38 -2.73 -0.11 0.00 -0.02 0.00 0.00 31.44 28.96 1j4u n GLU 115 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j4u s GLU 116 N -1.03 0.65 0.00 3.49 -1.05 -1.26 -5.05 118.70 114.46 1j4u s GLU 116 Ca 0.42 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1j4u s GLU 116 Cb 0.12 -0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.45 1j4u s GLU 116 CO -0.01 0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.66 1j4u n GLY 117 N 1.05 0.18 3.75 -3.83 0.00 -1.26 -4.34 105.19 100.75 1j4u n GLY 117 Ca -0.20 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.17 1j4u n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4u s THR 118 N 0.00 4.79 0.45 2.61 -1.32 0.85 -4.77 115.64 118.25 1j4u s THR 118 Ca 0.00 1.51 -0.20 0.00 -1.21 0.00 0.00 61.69 61.78 1j4u s THR 118 Cb 0.00 -4.06 -0.10 0.00 -1.51 0.00 0.00 72.50 66.83 1j4u s THR 118 CO 0.00 0.38 0.97 -0.47 -2.21 0.00 0.00 174.62 173.29 1j4u s TYR 119 N -0.08 3.25 -0.06 9.09 5.04 -1.26 -1.77 117.35 131.56 1j4u s TYR 119 Ca 0.36 1.59 -0.06 0.00 -2.44 0.00 0.00 57.07 56.53 1j4u s TYR 119 Cb -0.20 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.23 1j4u s TYR 119 CO 0.21 -0.30 0.16 -0.59 -1.34 0.00 0.00 175.55 173.70 1j4u s PHE 120 N -2.17 -0.17 -0.14 4.97 -0.12 -0.79 -4.95 117.98 114.62 1j4u s PHE 120 Ca 0.63 0.42 -0.06 0.00 -0.05 0.00 0.00 56.93 57.86 1j4u s PHE 120 Cb -0.11 0.06 0.06 0.00 -0.63 0.00 0.00 43.02 42.40 1j4u s PHE 120 CO 0.16 -0.10 0.31 1.21 -0.05 0.00 0.00 175.22 176.76 1j4u s ASN 121 N 0.02 -0.13 -0.42 1.98 2.47 -1.26 -1.29 114.94 116.30 1j4u s ASN 121 Ca -0.01 0.70 -0.01 0.00 0.42 0.00 0.00 52.86 53.96 1j4u s ASN 121 Cb -0.01 0.71 0.11 0.00 -1.45 0.00 0.00 41.25 40.61 1j4u s ASN 121 CO 0.00 -0.20 0.20 -0.22 -3.72 0.00 0.00 177.10 173.16 1j4u s LEU 122 N 1.84 5.12 -0.13 3.21 2.96 0.77 -4.98 118.68 127.46 1j4u s LEU 122 Ca -0.05 -2.17 -0.26 0.00 -0.22 0.00 0.00 54.13 51.43 1j4u s LEU 122 Cb -0.11 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1j4u s LEU 122 CO -0.10 -0.48 0.84 -2.84 -1.32 0.00 0.00 176.35 172.45 1j4u s PRO 123 N 0.93 4.35 -0.38 0.98 0.02 -1.26 -1.83 135.00 137.81 1j4u s PRO 123 Ca 0.10 1.06 -0.14 0.00 0.02 0.00 0.00 61.00 62.05 1j4u s PRO 123 Cb -0.22 -3.54 0.01 0.00 0.02 0.00 0.00 34.50 30.77 1j4u s PRO 123 CO -0.05 -0.25 0.27 0.42 -0.33 0.00 0.00 177.00 177.06 1j4u s ILE 124 N 1.84 5.18 -0.02 2.83 1.01 0.27 -4.92 121.20 127.41 1j4u s ILE 124 Ca 0.40 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.59 1j4u s ILE 124 Cb -0.17 -3.81 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 1j4u s ILE 124 CO 0.15 -0.20 0.77 -0.08 0.00 0.00 0.00 174.94 175.58 1j4u h GLU 125 N 8.56 0.06 -1.98 2.79 4.81 -1.96 -3.46 114.58 123.41 1j4u h GLU 125 Ca -0.28 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1j4u h GLU 125 Cb 1.13 0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.29 1j4u h GLU 125 CO 0.69 0.75 -0.34 1.21 -0.73 0.00 0.00 179.01 180.58 1j4u s ASN 126 N -6.43 -0.47 0.00 1.04 2.47 -1.26 -5.14 114.94 105.16 1j4u s ASN 126 Ca -0.06 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.07 1j4u s ASN 126 Cb 0.08 1.59 0.00 0.00 -1.45 0.00 0.00 41.25 41.47 1j4u s ASN 126 CO 0.82 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.56 1j4u n GLY 127 N 5.40 1.91 3.02 1.21 0.00 -1.26 -5.00 105.19 110.47 1j4u n GLY 127 Ca -0.06 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 1j4u n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4u s LEU 128 N 0.00 1.97 -0.32 0.99 1.02 0.13 -4.92 118.68 117.54 1j4u s LEU 128 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 54.13 53.69 1j4u s LEU 128 Cb 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 46.19 45.73 1j4u s LEU 128 CO 0.00 0.10 1.30 -0.63 0.02 0.00 0.00 176.35 177.14 1j4u s ILE 129 N -0.13 4.12 -1.37 -0.59 1.01 -1.26 -2.38 121.20 120.60 1j4u s ILE 129 Ca 0.02 1.25 0.14 0.00 0.00 0.00 0.00 60.65 62.06 1j4u s ILE 129 Cb -0.04 -4.19 0.29 0.00 0.01 0.00 0.00 42.46 38.52 1j4u s ILE 129 CO -0.00 -0.54 1.19 0.55 0.00 0.00 0.00 174.94 176.14 1j4u n VAL 130 N 6.35 0.65 0.00 2.92 3.14 0.12 -4.49 118.33 127.01 1j4u n VAL 130 Ca 0.15 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 1j4u n VAL 130 Cb 0.47 0.78 0.00 0.00 -1.06 0.00 0.00 33.84 34.03 1j4u n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4u n GLY 131 N 0.78 1.39 3.70 7.55 0.00 -1.22 -1.36 105.19 116.03 1j4u n GLY 131 Ca 0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1j4u n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4u s PHE 132 N -2.00 2.83 0.01 1.61 0.40 -1.26 -0.76 117.98 118.81 1j4u s PHE 132 Ca 0.00 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.07 1j4u s PHE 132 Cb 0.00 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1j4u s PHE 132 CO 0.00 0.59 0.15 0.21 0.70 0.00 0.00 175.22 176.86 1j4u s LYS 133 N -3.71 0.51 0.00 0.44 2.20 -1.07 -2.41 119.74 115.70 1j4u s LYS 133 Ca 0.32 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1j4u s LYS 133 Cb -0.07 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1j4u s LYS 133 CO 0.21 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1j4u n GLY 134 N 1.35 -1.44 3.15 5.54 0.00 0.42 0.18 105.19 114.39 1j4u n GLY 134 Ca -0.22 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1j4u n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4u s ARG 135 N -1.83 2.49 0.00 1.61 0.52 -0.66 -0.37 118.95 120.71 1j4u s ARG 135 Ca 0.00 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.57 1j4u s ARG 135 Cb 0.00 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.51 1j4u s ARG 135 CO 0.00 0.14 -0.18 0.99 0.02 0.00 0.00 175.30 176.26 1j4u s THR 136 N 0.42 1.46 0.00 0.02 2.01 -0.62 -0.73 115.64 118.20 1j4u s THR 136 Ca -0.16 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1j4u s THR 136 Cb -0.17 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.11 1j4u s THR 136 CO 0.07 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1j4u n GLY 137 N 2.43 1.04 0.02 4.40 0.00 -1.26 -0.90 105.19 110.92 1j4u n GLY 137 Ca -0.15 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1j4u n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4u n ASP 138 N 0.00 0.14 -0.76 1.61 10.43 -1.26 -4.87 116.55 121.85 1j4u n ASP 138 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1j4u n ASP 138 Cb 0.00 1.82 0.00 0.00 1.84 0.00 0.00 41.12 44.78 1j4u n ASP 138 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1j4u n LEU 139 N -2.31 0.00 -4.33 0.64 7.99 -1.26 -4.56 117.00 113.17 1j4u n LEU 139 Ca -0.08 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.46 1j4u n LEU 139 Cb 0.64 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.91 1j4u n LEU 139 CO 0.44 0.00 0.32 -0.22 -1.51 0.00 0.00 177.39 176.43 1j4u s LEU 140 N 0.00 6.18 0.14 2.23 2.96 -0.21 -4.40 118.68 125.58 1j4u s LEU 140 Ca 0.00 -2.03 -0.15 0.00 -0.22 0.00 0.00 54.13 51.73 1j4u s LEU 140 Cb 0.00 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.47 1j4u s LEU 140 CO 0.00 -0.82 1.70 0.44 -1.32 0.00 0.00 176.35 176.34 1j4u h ASP 141 N 8.58 0.62 -5.14 3.68 5.19 -1.24 -1.42 116.42 126.70 1j4u h ASP 141 Ca -0.15 -0.17 -0.06 0.00 -0.62 0.00 0.00 57.03 56.04 1j4u h ASP 141 Cb 1.07 -0.16 -0.12 0.00 0.18 0.00 0.00 39.33 40.30 1j4u h ASP 141 CO 0.96 0.62 -0.16 0.00 -3.12 0.00 0.00 179.24 177.54 1j4u s ALA 142 N -5.56 -0.58 0.00 3.45 0.00 -1.13 -1.70 121.76 116.24 1j4u s ALA 142 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1j4u s ALA 142 Cb 0.11 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1j4u s ALA 142 CO 0.76 -0.66 -0.01 -1.50 0.00 0.00 0.00 175.76 174.35 1j4u s ILE 143 N -3.87 0.05 0.41 0.00 2.07 -0.50 -1.65 121.20 117.71 1j4u s ILE 143 Ca 0.08 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1j4u s ILE 143 Cb 0.02 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.52 1j4u s ILE 143 CO -0.06 -0.04 0.09 -0.83 -1.91 0.00 0.00 174.94 172.19 1j4u s GLY 144 N -0.16 2.61 -0.02 1.50 0.00 0.49 -1.50 107.32 110.23 1j4u s GLY 144 Ca -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 1j4u s GLY 144 CO -0.00 -1.90 0.08 -0.42 0.00 0.00 0.00 173.10 170.86 1j4u s ILE 145 N -3.15 0.03 -0.12 0.90 1.01 -0.99 -2.59 121.20 116.27 1j4u s ILE 145 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 1j4u s ILE 145 Cb 0.03 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 1j4u s ILE 145 CO 0.13 -0.12 0.01 -1.00 0.00 0.00 0.00 174.94 173.96 1j4u s HIS 146 N -0.36 3.18 0.16 3.97 3.76 0.06 -0.40 115.29 125.66 1j4u s HIS 146 Ca -0.04 0.08 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 1j4u s HIS 146 Cb -0.03 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1j4u s HIS 146 CO 0.00 0.31 -0.13 -1.64 -0.85 0.00 0.00 174.74 172.43 1j4u s MET 147 N -0.35 1.16 0.06 1.40 1.00 0.11 0.15 119.30 122.82 1j4u s MET 147 Ca 0.07 -1.44 -0.27 0.00 0.00 0.00 0.00 55.69 54.05 1j4u s MET 147 Cb -0.12 -0.90 0.09 0.00 0.00 0.00 0.00 34.83 33.89 1j4u s MET 147 CO 0.02 0.15 0.94 -1.54 0.00 0.00 0.00 175.02 174.59 1j4u s SER 148 N -3.01 -0.27 0.00 3.03 1.04 -1.00 -3.34 113.70 110.15 1j4u s SER 148 Ca 0.17 -0.18 0.31 0.00 0.48 0.00 0.00 55.95 56.72 1j4u s SER 148 Cb -0.01 0.42 1.59 0.00 0.10 0.00 0.00 66.02 68.12 1j4u s SER 148 CO 0.04 -0.73 2.05 0.18 0.98 0.00 0.00 173.24 175.76