#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 2.28 -0.07 4.33 -2.07 -1.26 -5.08 119.66 117.79 1j4u s GLN 3 Ca 0.00 -1.83 -0.05 0.00 -1.82 0.00 0.00 55.36 51.66 1j4u s GLN 3 Cb 0.00 -2.04 0.02 0.00 -1.09 0.00 0.00 33.01 29.90 1j4u s GLN 3 CO 0.00 -0.18 0.17 -0.08 -1.32 0.00 0.00 175.29 173.88 1j4u s THR 4 N -2.60 -0.01 -0.30 3.63 -1.32 -1.26 -5.09 115.64 108.69 1j4u s THR 4 Ca 0.40 0.04 -0.40 0.00 -1.21 0.00 0.00 61.69 60.53 1j4u s THR 4 Cb 0.02 -0.25 -0.15 0.00 -1.51 0.00 0.00 72.50 70.60 1j4u s THR 4 CO 0.23 0.02 1.82 -0.38 -2.21 0.00 0.00 174.62 174.09 1j4u n ILE 5 N 3.28 0.28 -4.35 5.08 5.41 -1.20 -4.70 119.36 123.16 1j4u n ILE 5 Ca -0.16 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 63.18 1j4u n ILE 5 Cb 0.57 -1.24 -0.12 0.00 -0.71 0.00 0.00 39.64 38.14 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 4.11 3.88 0.09 1.39 2.01 -1.26 -0.09 115.64 125.77 1j4u s THR 6 Ca 1.01 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.74 1j4u s THR 6 Cb -1.07 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1j4u s THR 6 CO 0.64 0.48 -0.23 -0.69 -0.69 0.00 0.00 174.62 174.14 1j4u s VAL 7 N 0.48 1.86 0.00 3.82 1.01 0.40 -4.97 120.40 123.01 1j4u s VAL 7 Ca -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1j4u s VAL 7 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1j4u s VAL 7 CO 0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1j4u n GLY 8 N 1.23 1.19 0.00 4.51 0.00 -1.26 -2.39 105.19 108.46 1j4u n GLY 8 Ca -0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 6.23 0.00 -4.79 1.61 7.64 -1.22 -4.95 113.62 118.14 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 -0.28 3.70 -1.16 1.43 0.51 -0.77 -4.84 118.94 117.53 1j4u s TRP 10 Ca 0.00 1.09 0.00 0.00 -2.12 0.00 0.00 56.10 55.07 1j4u s TRP 10 Cb 0.00 -2.46 0.00 0.00 -0.81 0.00 0.00 33.47 30.20 1j4u s TRP 10 CO 0.00 0.47 0.00 0.41 -0.51 0.00 0.00 176.95 177.32 1j4u n GLY 11 N 2.22 0.42 4.00 0.98 0.00 -1.26 -1.24 105.19 110.30 1j4u n GLY 11 Ca -0.10 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 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 1.91 0.00 -0.02 0.00 -0.55 -4.87 107.32 103.79 1j4u s GLY 12 Ca 0.00 -1.90 0.16 0.00 0.00 0.00 0.00 44.72 42.98 1j4u s GLY 12 CO 0.00 -1.74 1.49 -1.55 0.00 0.00 0.00 173.10 171.30 1j4u n PRO 13 N -2.08 1.43 -0.44 2.90 -0.04 -1.26 -4.19 135.00 131.32 1j4u n PRO 13 Ca 0.11 -0.65 -0.15 0.00 -0.04 0.00 0.00 63.50 62.77 1j4u n PRO 13 Cb 0.62 -1.29 0.13 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.94 -2.87 6.65 0.55 0.00 -1.26 -4.89 105.19 104.30 1j4u n GLY 14 Ca 0.13 -1.43 0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.56 -0.53 3.75 -0.02 0.00 -1.26 -4.68 105.19 100.89 1j4u n GLY 15 Ca 0.08 -0.54 -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 -4.02 5.81 0.86 1.61 0.02 -0.20 -4.80 114.94 114.21 1j4u s ASN 16 Ca 0.00 0.27 -0.12 0.00 -1.02 0.00 0.00 52.86 51.99 1j4u s ASN 16 Cb 0.00 -1.83 0.11 0.00 0.02 0.00 0.00 41.25 39.55 1j4u s ASN 16 CO 0.00 0.34 1.10 -0.83 0.02 0.00 0.00 177.10 177.73 1j4u s GLY 17 N -0.66 1.61 -0.11 0.66 0.00 -1.26 -1.46 107.32 106.10 1j4u s GLY 17 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 1j4u s GLY 17 CO 0.02 0.30 0.77 0.66 0.00 0.00 0.00 173.10 174.86 1j4u s TRP 18 N -3.06 -0.60 -0.14 1.90 1.48 0.52 -4.86 118.94 114.19 1j4u s TRP 18 Ca 0.62 1.10 -0.04 0.00 -1.06 0.00 0.00 56.10 56.72 1j4u s TRP 18 Cb -0.16 0.40 0.06 0.00 -1.16 0.00 0.00 33.47 32.61 1j4u s TRP 18 CO 0.55 -0.50 0.10 0.34 -4.06 0.00 0.00 176.95 173.38 1j4u s ASP 19 N -0.93 1.99 0.27 -2.66 3.68 -1.26 -1.03 116.67 116.72 1j4u s ASP 19 Ca -0.07 -0.42 0.25 0.00 2.13 0.00 0.00 52.55 54.44 1j4u s ASP 19 Cb -0.01 -0.16 0.89 0.00 -1.45 0.00 0.00 42.92 42.19 1j4u s ASP 19 CO 0.06 -0.33 1.75 -0.33 0.13 0.00 0.00 175.17 176.46 1j4u h GLU 20 N 8.41 0.00 0.00 4.34 5.08 -1.87 -3.49 114.58 127.05 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 0.26 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.68 1j4u n GLY 21 N 0.69 -1.80 3.77 -3.84 0.00 -1.25 -4.95 105.19 97.81 1j4u n GLY 21 Ca 0.04 -1.87 -0.33 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 5.66 0.00 1.61 0.01 -1.26 -4.18 113.70 111.54 1j4u s SER 22 Ca 0.00 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1j4u s SER 22 Cb 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1j4u s SER 22 CO 0.00 0.29 0.00 -1.22 0.41 0.00 0.00 173.24 172.72 1j4u n TYR 23 N 1.31 0.00 0.03 2.43 4.02 -0.50 -5.01 117.16 119.45 1j4u n TYR 23 Ca -0.14 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1j4u n TYR 23 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 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 1.08 -2.46 -0.72 -1.04 0.09 -4.90 114.28 106.33 1j4u n THR 24 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1j4u n THR 24 Cb 0.00 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 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 1.39 -1.24 3.24 3.41 0.00 -1.14 -4.92 105.19 105.93 1j4u n GLY 25 Ca -0.10 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.80 2.00 -0.15 -0.61 1.01 -1.26 -1.08 121.20 118.30 1j4u s ILE 26 Ca 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 1j4u s ILE 26 Cb 0.00 -1.71 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 1j4u s ILE 26 CO 0.00 0.55 -0.17 0.54 0.00 0.00 0.00 174.94 175.87 1j4u n ARG 27 N 3.18 0.33 -3.90 2.79 1.74 -0.18 -4.81 116.66 115.81 1j4u n ARG 27 Ca -0.18 0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 56.91 1j4u n ARG 27 Cb 0.52 -1.12 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.27 0.31 -0.06 5.56 0.74 -0.89 -1.70 119.66 121.35 1j4u s GLN 28 Ca -0.20 -0.32 0.04 0.00 0.05 0.00 0.00 55.36 54.93 1j4u s GLN 28 Cb 0.07 0.12 -0.00 0.00 1.10 0.00 0.00 33.01 34.30 1j4u s GLN 28 CO 0.28 -0.06 -0.20 0.42 -0.55 0.00 0.00 175.29 175.18 1j4u s ILE 29 N -0.99 1.65 -0.12 -2.34 1.01 -0.11 -1.02 121.20 119.29 1j4u s ILE 29 Ca -0.11 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1j4u s ILE 29 Cb -0.06 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1j4u s ILE 29 CO 0.00 0.47 -0.21 -1.61 0.00 0.00 0.00 174.94 173.59 1j4u s GLU 30 N 0.13 2.84 0.02 2.79 2.02 -0.27 0.03 118.70 126.27 1j4u s GLU 30 Ca -0.08 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 1j4u s GLU 30 Cb -0.14 -2.26 -0.00 0.00 0.10 0.00 0.00 34.13 31.83 1j4u s GLU 30 CO 0.04 0.04 0.14 -0.48 0.02 0.00 0.00 175.26 175.02 1j4u s LEU 31 N 0.68 1.58 0.13 1.80 0.05 -1.00 -1.37 118.68 120.55 1j4u s LEU 31 Ca -0.11 -0.34 0.07 0.00 0.05 0.00 0.00 54.13 53.79 1j4u s LEU 31 Cb -0.16 0.72 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 1j4u s LEU 31 CO 0.02 -0.46 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.39 1j4u s SER 32 N -1.77 4.71 0.22 1.48 1.04 -0.74 -1.72 113.70 116.93 1j4u s SER 32 Ca -0.10 -0.34 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 1j4u s SER 32 Cb -0.04 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.10 1j4u s SER 32 CO -0.01 0.14 0.57 -0.72 0.98 0.00 0.00 173.24 174.20 1j4u s TYR 33 N -1.47 -0.08 0.00 5.02 -0.85 -0.29 -0.64 117.35 119.04 1j4u s TYR 33 Ca 0.25 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 1j4u s TYR 33 Cb -0.10 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1j4u s TYR 33 CO 0.17 -1.01 0.00 1.17 -1.52 0.00 0.00 175.55 174.36 1j4u n LYS 34 N -0.38 0.00 0.02 -3.49 3.00 -1.26 -1.81 118.16 114.24 1j4u n LYS 34 Ca -0.07 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 0.29 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 0.11 -3.49 1.64 4.71 -1.26 -3.56 120.64 118.79 1j4u n GLU 35 Ca 0.00 0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.09 1j4u n GLU 35 Cb 0.00 -1.57 -0.00 0.00 -1.01 0.00 0.00 31.44 28.86 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 -1.62 -0.90 -2.72 0.62 0.00 -1.25 -3.07 120.51 111.57 1j4u n ALA 36 Ca 0.05 -1.23 -0.38 0.00 0.00 0.00 0.00 53.44 51.88 1j4u n ALA 36 Cb 0.37 0.99 -0.06 0.00 0.00 0.00 0.00 19.45 20.75 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 -2.50 5.20 0.00 0.00 -1.09 -0.82 -4.37 121.20 117.62 1j4u s ILE 37 Ca 0.19 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 1j4u s ILE 37 Cb -0.03 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1j4u s ILE 37 CO 0.14 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1j4u n GLY 38 N 3.26 -0.20 3.80 6.18 0.00 0.18 -1.33 105.19 117.10 1j4u n GLY 38 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.37 6.92 -0.28 1.61 0.01 -1.25 -3.73 113.70 116.60 1j4u s SER 39 Ca 0.00 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.07 1j4u s SER 39 Cb 0.00 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1j4u s SER 39 CO 0.00 -0.37 0.50 0.12 0.41 0.00 0.00 173.24 173.90 1j4u s PHE 40 N -1.97 -1.37 0.05 2.43 2.19 -0.69 -1.79 117.98 116.84 1j4u s PHE 40 Ca 0.60 1.02 0.03 0.00 0.33 0.00 0.00 56.93 58.91 1j4u s PHE 40 Cb -0.14 0.21 -0.02 0.00 -1.31 0.00 0.00 43.02 41.76 1j4u s PHE 40 CO 0.18 -0.93 -0.09 -1.54 1.83 0.00 0.00 175.22 174.67 1j4u s SER 41 N 2.71 1.03 0.07 6.13 1.04 -0.47 -3.31 113.70 120.90 1j4u s SER 41 Ca 0.14 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1j4u s SER 41 Cb -0.13 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 1j4u s SER 41 CO -0.24 -0.17 -0.09 0.54 0.98 0.00 0.00 173.24 174.27 1j4u s VAL 42 N -1.31 0.75 -0.33 5.02 0.11 -1.26 -1.11 120.40 122.26 1j4u s VAL 42 Ca -0.08 -1.45 -0.09 0.00 -2.93 0.00 0.00 61.98 57.43 1j4u s VAL 42 Cb -0.10 -1.10 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 1j4u s VAL 42 CO 0.01 -0.52 0.15 -0.63 -3.33 0.00 0.00 175.10 170.78 1j4u s ILE 43 N -2.15 4.38 0.81 7.04 1.01 -0.19 -1.53 121.20 130.57 1j4u s ILE 43 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1j4u s ILE 43 Cb -0.05 -3.34 0.16 0.00 0.01 0.00 0.00 42.46 39.25 1j4u s ILE 43 CO -0.01 -0.06 1.11 -0.31 0.00 0.00 0.00 174.94 175.67 1j4u s TYR 44 N 1.55 1.36 -0.21 3.97 2.02 0.90 -1.01 117.35 125.93 1j4u s TYR 44 Ca 0.03 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1j4u s TYR 44 Cb -0.18 -3.32 -0.00 0.00 -0.40 0.00 0.00 41.96 38.06 1j4u s TYR 44 CO 0.05 -2.08 -0.07 0.34 -1.57 0.00 0.00 175.55 172.23 1j4u s ASP 45 N -4.83 4.11 -0.71 2.29 2.15 -0.24 -0.28 116.67 119.17 1j4u s ASP 45 Ca 0.70 -0.43 -0.07 0.00 0.43 0.00 0.00 52.55 53.17 1j4u s ASP 45 Cb -0.04 -1.70 0.18 0.00 -0.30 0.00 0.00 42.92 41.07 1j4u s ASP 45 CO 0.47 -0.02 0.57 -0.22 -0.17 0.00 0.00 175.17 175.81 1j4u s LEU 46 N 1.44 5.85 -1.24 -1.34 2.96 0.87 -0.73 118.68 126.48 1j4u s LEU 46 Ca 0.06 -2.79 -0.05 0.00 -0.22 0.00 0.00 54.13 51.12 1j4u s LEU 46 Cb -0.14 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1j4u s LEU 46 CO -0.05 -0.45 1.07 0.59 -1.32 0.00 0.00 176.35 176.19 1j4u n ASN 47 N 3.67 -4.61 0.00 3.68 5.03 -1.26 -3.05 115.26 118.73 1j4u n ASN 47 Ca 0.10 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 55.01 1j4u n ASN 47 Cb 0.41 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.31 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 -1.63 3.11 3.81 7.41 0.00 -1.26 -5.04 105.19 111.58 1j4u n GLY 48 Ca -0.10 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 6.87 0.25 1.61 1.11 -1.17 -5.03 116.67 120.30 1j4u s ASP 49 Ca 0.00 1.04 -0.30 0.00 0.18 0.00 0.00 52.55 53.47 1j4u s ASP 49 Cb 0.00 -2.29 -0.10 0.00 1.07 0.00 0.00 42.92 41.60 1j4u s ASP 49 CO 0.00 0.25 1.39 -2.16 1.18 0.00 0.00 175.17 175.83 1j4u s PRO 50 N -0.77 4.31 -0.16 8.23 0.04 -1.26 -0.09 135.00 145.29 1j4u s PRO 50 Ca 0.26 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1j4u s PRO 50 Cb -0.17 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1j4u s PRO 50 CO 0.15 -0.36 -0.11 0.12 0.04 0.00 0.00 177.00 176.84 1j4u s PHE 51 N -0.10 2.15 -0.14 0.56 5.36 0.62 -4.80 117.98 121.63 1j4u s PHE 51 Ca 0.58 -1.29 -0.29 0.00 -0.96 0.00 0.00 56.93 54.96 1j4u s PHE 51 Cb -0.40 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 40.72 1j4u s PHE 51 CO 0.43 -0.68 0.99 -1.54 -1.46 0.00 0.00 175.22 172.97 1j4u s SER 52 N 1.49 7.18 0.89 6.13 1.04 -1.26 -0.07 113.70 129.11 1j4u s SER 52 Ca 0.02 1.46 -0.10 0.00 0.48 0.00 0.00 55.95 57.81 1j4u s SER 52 Cb -0.14 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.62 1j4u s SER 52 CO -0.09 -0.48 1.16 0.61 0.98 0.00 0.00 173.24 175.42 1j4u n GLY 53 N 3.18 -0.66 3.58 7.32 0.00 -0.58 -4.93 105.19 113.10 1j4u n GLY 53 Ca 0.09 -1.83 -0.45 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.36 1.30 -3.02 1.61 -0.02 -1.26 -4.70 135.00 125.55 1j4u n PRO 54 Ca 0.16 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1j4u n PRO 54 Cb 0.56 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.54 4.22 -0.81 -0.52 -0.14 -1.26 -4.46 119.74 115.23 1j4u s LYS 55 Ca 0.59 0.77 0.02 0.00 -1.36 0.00 0.00 55.97 55.99 1j4u s LYS 55 Cb -0.71 -3.59 0.30 0.00 -1.68 0.00 0.00 37.83 32.15 1j4u s LYS 55 CO 0.60 -0.32 1.19 0.72 -0.76 0.00 0.00 175.35 176.78 1j4u n HIS 56 N 5.30 3.21 -2.82 3.18 8.25 -1.21 -5.00 115.22 126.13 1j4u n HIS 56 Ca 0.01 -3.41 -0.31 0.00 -0.26 0.00 0.00 57.72 53.76 1j4u n HIS 56 Cb 0.49 -0.84 -0.04 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.38 4.70 0.24 1.59 -4.23 -1.26 -1.70 115.64 111.60 1j4u s THR 57 Ca 0.40 0.83 0.11 0.00 -1.18 0.00 0.00 61.69 61.84 1j4u s THR 57 Cb 0.16 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 1j4u s THR 57 CO -0.03 -0.48 -0.14 -0.94 -0.54 0.00 0.00 174.62 172.49 1j4u s SER 58 N -2.94 3.92 0.25 3.99 1.04 -1.26 -4.86 113.70 113.83 1j4u s SER 58 Ca 0.54 -0.81 0.13 0.00 0.48 0.00 0.00 55.95 56.28 1j4u s SER 58 Cb -0.10 -0.51 0.13 0.00 0.10 0.00 0.00 66.02 65.65 1j4u s SER 58 CO 0.28 0.06 1.47 0.11 0.98 0.00 0.00 173.24 176.14 1j4u h LYS 59 N 2.52 0.00 -6.06 4.02 1.57 -1.90 -3.45 116.57 113.27 1j4u h LYS 59 Ca -0.44 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 57.56 1j4u h LYS 59 Cb 1.23 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.59 1j4u h LYS 59 CO 0.56 0.65 0.29 1.28 -0.57 0.00 0.00 179.45 181.66 1j4u n LEU 60 N -3.40 0.66 -3.62 2.94 7.99 -1.26 -4.71 117.00 115.60 1j4u n LEU 60 Ca 0.01 1.15 -0.43 0.00 -0.01 0.00 0.00 56.01 56.72 1j4u n LEU 60 Cb 0.74 -0.98 -0.07 0.00 -0.11 0.00 0.00 43.42 43.00 1j4u n LEU 60 CO 0.42 -1.48 1.97 -0.81 -1.51 0.00 0.00 177.39 175.98 1j4u n PRO 61 N 2.33 1.18 -3.00 3.23 -0.04 -1.26 -4.92 135.00 132.52 1j4u n PRO 61 Ca 0.22 -1.68 -0.21 0.00 -0.04 0.00 0.00 63.50 61.79 1j4u n PRO 61 Cb 0.08 -2.85 0.01 0.00 -0.04 0.00 0.00 33.50 30.71 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 5.57 3.08 -0.02 0.54 1.51 -1.26 -5.06 117.35 121.71 1j4u s TYR 62 Ca 0.60 0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.39 1j4u s TYR 62 Cb 0.14 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1j4u s TYR 62 CO 0.17 -0.42 1.09 -1.59 -1.11 0.00 0.00 175.55 173.69 1j4u s LYS 63 N -4.51 4.45 0.42 -0.62 0.00 -0.75 -4.73 119.74 114.01 1j4u s LYS 63 Ca 0.50 1.56 -0.01 0.00 0.00 0.00 0.00 55.97 58.02 1j4u s LYS 63 Cb -0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 37.83 34.24 1j4u s LYS 63 CO 0.36 -0.24 0.66 -0.80 0.00 0.00 0.00 175.35 175.33 1j4u s ASN 64 N 1.14 6.11 -0.24 0.03 -0.87 -1.26 -1.13 114.94 118.72 1j4u s ASN 64 Ca 0.54 0.53 -0.22 0.00 -1.57 0.00 0.00 52.86 52.14 1j4u s ASN 64 Cb -0.23 -1.91 0.06 0.00 -0.02 0.00 0.00 41.25 39.14 1j4u s ASN 64 CO 0.25 -0.53 0.63 0.54 -2.57 0.00 0.00 177.10 175.42 1j4u s VAL 65 N -2.53 0.00 -0.12 1.60 0.11 -0.70 -4.97 120.40 113.80 1j4u s VAL 65 Ca 0.45 -0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1j4u s VAL 65 Cb -0.10 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1j4u s VAL 65 CO 0.39 -0.00 0.00 -0.54 -3.33 0.00 0.00 175.10 171.62 1j4u s LYS 66 N 0.32 3.34 -0.34 1.54 1.02 -1.26 -2.38 119.74 121.98 1j4u s LYS 66 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1j4u s LYS 66 Cb -0.04 -2.90 0.07 0.00 -0.52 0.00 0.00 37.83 34.44 1j4u s LYS 66 CO 0.01 0.51 0.07 0.42 -0.92 0.00 0.00 175.35 175.44 1j4u s ILE 67 N -0.34 3.03 -0.38 2.17 1.01 0.11 -4.94 121.20 121.84 1j4u s ILE 67 Ca 0.07 -1.68 -0.16 0.00 0.00 0.00 0.00 60.65 58.88 1j4u s ILE 67 Cb -0.12 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.46 1j4u s ILE 67 CO 0.02 -0.34 0.39 -1.61 0.00 0.00 0.00 174.94 173.40 1j4u s GLU 68 N 1.19 3.29 0.13 2.79 2.02 -1.26 -0.93 118.70 125.93 1j4u s GLU 68 Ca 0.01 -0.63 -0.26 0.00 0.02 0.00 0.00 54.97 54.11 1j4u s GLU 68 Cb -0.21 -3.90 -0.07 0.00 0.10 0.00 0.00 34.13 30.06 1j4u s GLU 68 CO -0.03 -0.70 0.79 -0.51 0.02 0.00 0.00 175.26 174.83 1j4u s LEU 69 N 2.04 4.55 -1.14 1.80 2.01 -0.69 -4.93 118.68 122.32 1j4u s LEU 69 Ca 0.11 1.60 -0.15 0.00 0.01 0.00 0.00 54.13 55.71 1j4u s LEU 69 Cb -0.17 -3.30 -0.07 0.00 0.01 0.00 0.00 46.19 42.67 1j4u s LEU 69 CO 0.12 0.14 2.21 2.29 1.01 0.00 0.00 176.35 182.12 1j4u n LYS 70 N 2.00 2.36 -1.93 1.70 2.85 -1.26 -4.89 118.16 118.98 1j4u n LYS 70 Ca -0.04 -2.06 -0.37 0.00 -1.05 0.00 0.00 58.31 54.78 1j4u n LYS 70 Cb 0.49 -2.93 0.03 0.00 -0.65 0.00 0.00 35.03 31.97 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 3.72 2.42 -1.06 5.58 2.19 -1.26 -1.47 117.98 128.10 1j4u s PHE 71 Ca 0.53 1.45 0.18 0.00 0.33 0.00 0.00 56.93 59.41 1j4u s PHE 71 Cb 0.14 -3.64 0.74 0.00 -1.31 0.00 0.00 43.02 38.95 1j4u s PHE 71 CO -0.00 -2.46 1.65 -0.35 1.83 0.00 0.00 175.22 175.88 1j4u n PRO 72 N -1.08 3.85 0.14 10.12 -0.04 -1.26 -4.82 135.00 141.90 1j4u n PRO 72 Ca 0.11 -2.93 0.02 0.00 -0.04 0.00 0.00 63.50 60.66 1j4u n PRO 72 Cb 0.47 -1.93 0.04 0.00 -0.04 0.00 0.00 33.50 32.04 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 4.11 0.00 -4.08 3.54 3.32 -1.77 -3.44 116.42 118.11 1j4u h ASP 73 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1j4u h ASP 73 Cb 1.51 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.81 1j4u h ASP 73 CO 0.26 0.53 -0.79 -0.70 -1.72 0.00 0.00 179.24 176.81 1j4u s GLU 74 N -2.99 2.50 0.04 3.56 2.12 -0.54 -4.85 118.70 118.54 1j4u s GLU 74 Ca 0.03 -0.74 -0.17 0.00 0.36 0.00 0.00 54.97 54.46 1j4u s GLU 74 Cb 0.08 -2.33 0.03 0.00 0.26 0.00 0.00 34.13 32.17 1j4u s GLU 74 CO 0.75 0.58 0.38 -0.59 -0.54 0.00 0.00 175.26 175.83 1j4u s PHE 75 N -0.62 -0.22 0.21 5.30 -0.71 -1.26 -4.20 117.98 116.48 1j4u s PHE 75 Ca 0.09 0.16 -0.32 0.00 -1.04 0.00 0.00 56.93 55.81 1j4u s PHE 75 Cb -0.11 0.18 -0.13 0.00 -1.21 0.00 0.00 43.02 41.74 1j4u s PHE 75 CO 0.01 -0.54 1.51 1.28 -1.34 0.00 0.00 175.22 176.13 1j4u n LEU 76 N 0.56 3.21 0.00 -1.99 4.32 -1.26 -1.77 117.00 120.07 1j4u n LEU 76 Ca -0.19 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 1j4u n LEU 76 Cb 0.59 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1j4u n LEU 76 CO 0.21 -0.33 0.18 -1.84 -1.22 0.00 0.00 177.39 174.38 1j4u n GLU 77 N 2.73 1.01 -3.64 3.23 0.28 0.24 -4.76 120.64 119.72 1j4u n GLU 77 Ca 0.14 -0.36 -0.13 0.00 -0.16 0.00 0.00 57.16 56.65 1j4u n GLU 77 Cb 0.31 -0.85 -0.07 0.00 1.43 0.00 0.00 31.44 32.25 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 -0.25 -0.72 -0.08 -1.84 0.15 -1.08 -0.57 113.70 109.32 1j4u s SER 78 Ca 0.00 1.37 -0.00 0.00 0.70 0.00 0.00 55.95 58.02 1j4u s SER 78 Cb 0.00 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.71 1j4u s SER 78 CO 0.00 -0.23 -0.05 -0.69 1.20 0.00 0.00 173.24 173.47 1j4u s VAL 79 N 0.44 0.70 0.19 4.45 1.01 -0.75 -2.37 120.40 124.07 1j4u s VAL 79 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1j4u s VAL 79 Cb -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1j4u s VAL 79 CO -0.00 0.29 0.18 -0.94 0.00 0.00 0.00 175.10 174.63 1j4u s SER 80 N 1.47 0.13 0.00 3.32 1.04 -0.84 -0.07 113.70 118.75 1j4u s SER 80 Ca -0.01 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1j4u s SER 80 Cb -0.13 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1j4u s SER 80 CO -0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1j4u n GLY 81 N -0.26 -1.48 3.34 7.32 0.00 -0.57 -0.47 105.19 113.08 1j4u n GLY 81 Ca -0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.66 2.12 -0.03 1.61 2.02 -0.42 -2.03 117.35 117.98 1j4u s TYR 82 Ca 0.00 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1j4u s TYR 82 Cb 0.00 -1.19 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1j4u s TYR 82 CO 0.00 0.23 -0.10 -0.08 -1.57 0.00 0.00 175.55 174.03 1j4u s THR 83 N -1.00 0.84 -0.20 -0.71 -1.32 -0.74 -1.06 115.64 111.46 1j4u s THR 83 Ca 0.11 -0.40 -0.33 0.00 -1.21 0.00 0.00 61.69 59.86 1j4u s THR 83 Cb -0.10 -0.75 0.15 0.00 -1.51 0.00 0.00 72.50 70.29 1j4u s THR 83 CO 0.04 0.26 1.19 -0.83 -2.21 0.00 0.00 174.62 173.08 1j4u s GLY 84 N 0.16 -0.23 0.91 6.08 0.00 -0.58 -0.14 107.32 113.52 1j4u s GLY 84 Ca -0.03 1.85 -0.11 0.00 0.00 0.00 0.00 44.72 46.43 1j4u s GLY 84 CO 0.01 0.69 1.11 2.56 0.00 0.00 0.00 173.10 177.46 1j4u s PRO 85 N -2.04 1.12 -0.13 2.90 0.04 -1.26 -1.31 135.00 134.32 1j4u s PRO 85 Ca 0.08 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1j4u s PRO 85 Cb -0.01 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 1j4u s PRO 85 CO -0.05 -2.46 -0.19 0.12 0.04 0.00 0.00 177.00 174.47 1j4u s PHE 86 N -2.74 2.71 0.00 0.56 5.99 -1.26 -4.83 117.98 118.41 1j4u s PHE 86 Ca 0.65 -1.05 0.00 0.00 0.00 0.00 0.00 56.93 56.53 1j4u s PHE 86 Cb -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 43.02 40.99 1j4u s PHE 86 CO 0.58 -0.45 0.40 0.43 -0.00 0.00 0.00 175.22 176.18 1j4u n SER 87 N 3.85 0.00 -0.19 6.13 7.64 -1.26 -3.91 113.62 125.88 1j4u n SER 87 Ca -0.19 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.39 1j4u n SER 87 Cb 0.52 -0.39 0.16 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.68 0.27 -2.69 -0.43 0.00 -1.26 -1.24 120.51 113.49 1j4u n ALA 88 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 1j4u n ALA 88 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 -4.68 6.79 0.00 0.00 4.77 -1.25 -4.96 117.00 117.68 1j4u n LEU 89 Ca 0.13 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.03 1j4u n LEU 89 Cb 0.42 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1j4u n LEU 89 CO -0.04 1.71 0.00 0.00 -1.33 0.00 0.00 177.39 177.73 1j4u n ALA 90 N 1.72 0.00 -3.31 -1.18 0.00 -0.37 -4.85 120.51 112.52 1j4u n ALA 90 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 1j4u n ALA 90 Cb 0.32 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.13 0.00 -1.32 -1.26 -5.04 115.64 107.87 1j4u s THR 91 Ca 0.00 0.07 0.29 0.00 -1.21 0.00 0.00 61.69 60.84 1j4u s THR 91 Cb 0.00 -0.23 0.37 0.00 -1.51 0.00 0.00 72.50 71.13 1j4u s THR 91 CO 0.00 0.03 1.83 1.55 -2.21 0.00 0.00 174.62 175.82 1j4u h PRO 92 N 6.45 0.00 -6.40 7.08 0.13 -1.90 -3.40 132.00 133.95 1j4u h PRO 92 Ca -0.32 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.31 1j4u h PRO 92 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1j4u h PRO 92 CO 0.42 0.00 -0.24 -0.08 -0.23 0.00 0.00 178.00 177.86 1j4u s THR 93 N -3.48 5.13 0.77 1.56 -1.32 -1.26 -4.90 115.64 112.15 1j4u s THR 93 Ca 0.04 -0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 59.97 1j4u s THR 93 Cb 0.07 -3.81 0.06 0.00 -1.51 0.00 0.00 72.50 67.31 1j4u s THR 93 CO 0.59 -0.39 1.21 -2.65 -2.21 0.00 0.00 174.62 171.17 1j4u n PRO 94 N -1.30 0.43 -3.93 7.08 -0.02 -1.26 -4.29 135.00 131.71 1j4u n PRO 94 Ca -0.05 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1j4u n PRO 94 Cb 0.55 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.92 0.10 -0.50 -1.45 1.01 -0.43 -2.77 120.40 114.44 1j4u s VAL 95 Ca 0.76 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 1j4u s VAL 95 Cb -0.32 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1j4u s VAL 95 CO 0.48 -0.47 1.50 0.68 0.00 0.00 0.00 175.10 177.29 1j4u s VAL 96 N -1.59 3.75 -0.01 2.92 -7.23 -0.60 -1.53 120.40 116.11 1j4u s VAL 96 Ca -0.14 0.68 -0.20 0.00 -1.81 0.00 0.00 61.98 60.51 1j4u s VAL 96 Cb -0.08 -4.24 -0.29 0.00 0.56 0.00 0.00 36.38 32.34 1j4u s VAL 96 CO -0.00 -0.94 0.99 0.03 -0.31 0.00 0.00 175.10 174.87 1j4u h ARG 97 N 11.51 0.39 -5.38 4.82 2.47 -1.36 -2.17 114.38 124.66 1j4u h ARG 97 Ca -0.28 -0.56 -0.41 0.00 -1.26 0.00 0.00 59.98 57.47 1j4u h ARG 97 Cb 1.11 0.19 -0.20 0.00 -1.65 0.00 0.00 29.97 29.43 1j4u h ARG 97 CO 1.14 1.23 -0.77 0.45 0.56 0.00 0.00 179.97 182.58 1j4u s SER 98 N -7.01 1.84 -0.05 7.04 0.15 -1.13 -3.35 113.70 111.20 1j4u s SER 98 Ca -0.13 -0.73 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 1j4u s SER 98 Cb 0.02 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1j4u s SER 98 CO 0.85 -0.12 0.11 -0.22 1.20 0.00 0.00 173.24 175.07 1j4u s LEU 99 N -2.14 1.40 -0.10 3.45 2.96 -0.85 -1.30 118.68 122.11 1j4u s LEU 99 Ca 0.04 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1j4u s LEU 99 Cb -0.07 0.36 0.05 0.00 0.50 0.00 0.00 46.19 47.03 1j4u s LEU 99 CO 0.02 -0.06 0.23 0.28 -1.32 0.00 0.00 176.35 175.50 1j4u s THR 100 N 0.30 -0.11 0.15 3.68 -1.32 0.38 -1.03 115.64 117.69 1j4u s THR 100 Ca -0.02 0.19 0.05 0.00 -1.21 0.00 0.00 61.69 60.70 1j4u s THR 100 Cb -0.03 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 1j4u s THR 100 CO -0.01 0.08 0.08 -0.36 -2.21 0.00 0.00 174.62 172.19 1j4u s PHE 101 N 1.48 3.06 -0.04 9.09 0.40 -1.24 -1.98 117.98 128.75 1j4u s PHE 101 Ca -0.07 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1j4u s PHE 101 Cb -0.11 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 41.95 1j4u s PHE 101 CO -0.08 0.51 -0.00 0.21 0.70 0.00 0.00 175.22 176.56 1j4u s LYS 102 N -2.87 0.38 0.31 0.44 2.20 -1.00 -0.69 119.74 118.52 1j4u s LYS 102 Ca 0.29 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1j4u s LYS 102 Cb -0.10 -0.60 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 1j4u s LYS 102 CO 0.21 -0.17 0.46 0.95 -0.36 0.00 0.00 175.35 176.45 1j4u s THR 103 N 1.23 4.73 0.55 3.43 -4.23 0.33 -0.60 115.64 121.08 1j4u s THR 103 Ca -0.07 -0.83 0.41 0.00 -1.18 0.00 0.00 61.69 60.02 1j4u s THR 103 Cb -0.13 -3.68 0.43 0.00 1.34 0.00 0.00 72.50 70.45 1j4u s THR 103 CO -0.02 -0.32 2.29 -0.55 -0.54 0.00 0.00 174.62 175.48 1j4u h ASN 104 N 0.92 0.00 -0.08 3.99 -0.00 -1.65 -1.84 115.58 116.92 1j4u h ASN 104 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 1j4u h ASN 104 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1j4u h ASN 104 CO 0.58 0.01 0.00 0.29 -0.00 0.00 0.00 177.43 178.31 1j4u n LYS 105 N -3.16 1.22 0.00 4.14 4.76 -1.26 -4.86 118.16 119.00 1j4u n LYS 105 Ca -0.02 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 1j4u n LYS 105 Cb 0.12 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 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 0.74 2.44 3.69 0.72 0.00 -0.69 -5.02 105.19 107.06 1j4u n GLY 106 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.63 4.26 -0.13 1.61 0.52 -1.26 -4.81 118.95 118.51 1j4u s ARG 107 Ca 0.00 2.05 0.01 0.00 -0.52 0.00 0.00 55.73 57.27 1j4u s ARG 107 Cb 0.00 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 1j4u s ARG 107 CO 0.00 -0.62 -0.17 -0.08 0.02 0.00 0.00 175.30 174.45 1j4u s THR 108 N 2.52 2.58 -0.89 0.02 -1.32 -1.26 -0.52 115.64 116.77 1j4u s THR 108 Ca 0.66 -0.82 -0.19 0.00 -1.21 0.00 0.00 61.69 60.14 1j4u s THR 108 Cb -0.33 -2.06 0.13 0.00 -1.51 0.00 0.00 72.50 68.74 1j4u s THR 108 CO 0.28 0.53 1.06 -0.36 -2.21 0.00 0.00 174.62 173.92 1j4u s PHE 109 N 0.55 3.14 0.00 9.09 0.40 0.14 -4.99 117.98 126.31 1j4u s PHE 109 Ca -0.11 -1.37 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1j4u s PHE 109 Cb -0.16 -4.23 0.00 0.00 0.51 0.00 0.00 43.02 39.14 1j4u s PHE 109 CO 0.04 -1.44 0.00 0.41 0.70 0.00 0.00 175.22 174.93 1j4u n GLY 110 N 5.33 0.00 3.69 4.36 0.00 -1.26 -3.68 105.19 113.64 1j4u n GLY 110 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.64 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 1.15 -3.72 1.61 -0.04 -1.26 -4.79 135.00 127.94 1j4u n PRO 111 Ca 0.00 0.42 -0.36 0.00 -0.04 0.00 0.00 63.50 63.52 1j4u n PRO 111 Cb 0.00 -2.12 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.80 3.50 0.00 0.54 1.51 -0.20 -4.90 117.35 121.59 1j4u s TYR 112 Ca 0.99 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1j4u s TYR 112 Cb -1.06 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1j4u s TYR 112 CO 0.65 0.44 0.00 0.41 -1.11 0.00 0.00 175.55 175.94 1j4u n GLY 113 N 2.91 -0.24 3.77 0.71 0.00 -1.26 -2.00 105.19 109.08 1j4u n GLY 113 Ca -0.16 -1.64 -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 -1.90 6.36 -1.24 1.61 -0.00 -1.17 -4.58 116.67 115.75 1j4u s ASP 114 Ca 0.00 3.01 -0.07 0.00 -0.00 0.00 0.00 52.55 55.49 1j4u s ASP 114 Cb 0.00 -2.66 0.19 0.00 -0.00 0.00 0.00 42.92 40.45 1j4u s ASP 114 CO 0.00 -0.88 1.96 -0.62 -0.00 0.00 0.00 175.17 175.63 1j4u n GLU 115 N 1.07 4.22 -4.13 8.23 1.02 -1.26 -3.33 120.64 126.47 1j4u n GLU 115 Ca 0.03 -3.77 -0.15 0.00 -0.02 0.00 0.00 57.16 53.25 1j4u n GLU 115 Cb 0.39 -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 -1.01 0.71 0.00 3.49 -1.05 -1.26 -5.05 118.70 114.52 1j4u s GLU 116 Ca 0.42 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1j4u s GLU 116 Cb 0.12 -0.49 0.00 0.00 -0.44 0.00 0.00 34.13 33.32 1j4u s GLU 116 CO -0.02 0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1j4u n GLY 117 N 1.09 0.30 3.73 -3.83 0.00 -1.26 -4.34 105.19 100.87 1j4u n GLY 117 Ca -0.20 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.14 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 4.92 0.48 2.61 -1.32 0.81 -4.76 115.64 118.37 1j4u s THR 118 Ca 0.00 1.56 -0.20 0.00 -1.21 0.00 0.00 61.69 61.84 1j4u s THR 118 Cb 0.00 -4.09 -0.09 0.00 -1.51 0.00 0.00 72.50 66.81 1j4u s THR 118 CO 0.00 0.29 1.01 -0.47 -2.21 0.00 0.00 174.62 173.24 1j4u s TYR 119 N 0.50 3.10 -0.08 9.09 5.04 -1.26 -1.80 117.35 131.94 1j4u s TYR 119 Ca 0.39 1.58 -0.06 0.00 -2.44 0.00 0.00 57.07 56.53 1j4u s TYR 119 Cb -0.19 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.15 1j4u s TYR 119 CO 0.21 -0.63 0.20 -0.59 -1.34 0.00 0.00 175.55 173.40 1j4u s PHE 120 N -2.09 -0.22 -0.11 4.97 -0.12 -0.86 -4.95 117.98 114.60 1j4u s PHE 120 Ca 0.65 0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 58.04 1j4u s PHE 120 Cb -0.14 0.06 0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1j4u s PHE 120 CO 0.20 -0.12 0.22 1.21 -0.05 0.00 0.00 175.22 176.68 1j4u s ASN 121 N 0.27 0.24 -0.43 1.98 2.47 -1.26 -1.51 114.94 116.71 1j4u s ASN 121 Ca -0.01 0.48 -0.04 0.00 0.42 0.00 0.00 52.86 53.71 1j4u s ASN 121 Cb -0.03 0.47 0.11 0.00 -1.45 0.00 0.00 41.25 40.36 1j4u s ASN 121 CO -0.01 -0.21 0.23 -0.22 -3.72 0.00 0.00 177.10 173.17 1j4u s LEU 122 N 1.96 5.32 -0.13 3.21 2.96 0.90 -4.98 118.68 127.92 1j4u s LEU 122 Ca -0.02 -2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 51.58 1j4u s LEU 122 Cb -0.12 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1j4u s LEU 122 CO -0.08 -0.56 0.79 -2.84 -1.32 0.00 0.00 176.35 172.35 1j4u s PRO 123 N 1.11 4.35 -0.38 0.98 0.02 -1.26 -1.80 135.00 138.02 1j4u s PRO 123 Ca 0.08 0.97 -0.13 0.00 0.02 0.00 0.00 61.00 61.95 1j4u s PRO 123 Cb -0.23 -3.53 0.02 0.00 0.02 0.00 0.00 34.50 30.77 1j4u s PRO 123 CO -0.04 -0.19 0.24 0.42 -0.33 0.00 0.00 177.00 177.10 1j4u s ILE 124 N 1.68 4.95 -0.03 2.83 1.01 0.27 -4.91 121.20 127.00 1j4u s ILE 124 Ca 0.38 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1j4u s ILE 124 Cb -0.17 -3.71 -0.23 0.00 0.01 0.00 0.00 42.46 38.35 1j4u s ILE 124 CO 0.15 -0.21 0.73 -0.08 0.00 0.00 0.00 174.94 175.53 1j4u h GLU 125 N 8.52 0.04 -2.02 2.79 4.81 -1.96 -3.46 114.58 123.30 1j4u h GLU 125 Ca -0.27 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1j4u h GLU 125 Cb 1.12 0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.26 1j4u h GLU 125 CO 0.68 0.67 -0.36 1.21 -0.73 0.00 0.00 179.01 180.48 1j4u s ASN 126 N -6.32 -0.37 0.00 1.04 2.47 -1.26 -5.13 114.94 105.37 1j4u s ASN 126 Ca -0.06 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.01 1j4u s ASN 126 Cb 0.08 1.51 0.00 0.00 -1.45 0.00 0.00 41.25 41.39 1j4u s ASN 126 CO 0.82 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.55 1j4u n GLY 127 N 5.40 1.72 2.98 1.21 0.00 -1.26 -5.00 105.19 110.24 1j4u n GLY 127 Ca -0.06 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 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 1.75 -0.38 0.99 1.02 0.00 -4.94 118.68 117.12 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 -0.51 0.00 0.00 0.02 0.00 0.00 46.19 45.70 1j4u s LEU 128 CO 0.00 0.05 1.44 -0.63 0.02 0.00 0.00 176.35 177.23 1j4u s ILE 129 N 0.26 3.89 -1.58 -0.59 1.01 -1.26 -2.40 121.20 120.52 1j4u s ILE 129 Ca -0.04 0.92 0.16 0.00 0.00 0.00 0.00 60.65 61.69 1j4u s ILE 129 Cb -0.09 -4.12 0.33 0.00 0.01 0.00 0.00 42.46 38.60 1j4u s ILE 129 CO 0.00 -0.66 1.25 0.55 0.00 0.00 0.00 174.94 176.08 1j4u n VAL 130 N 6.95 0.65 0.00 2.92 3.14 0.72 -4.48 118.33 128.22 1j4u n VAL 130 Ca 0.17 -0.83 0.00 0.00 -2.96 0.00 0.00 64.34 60.72 1j4u n VAL 130 Cb 0.48 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.05 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 0.95 1.34 3.66 7.55 0.00 -1.23 -1.41 105.19 116.06 1j4u n GLY 131 Ca 0.14 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 2.75 -0.00 1.61 0.40 -1.26 -0.53 117.98 118.95 1j4u s PHE 132 Ca 0.00 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1j4u s PHE 132 Cb 0.00 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1j4u s PHE 132 CO 0.00 0.59 0.12 0.21 0.70 0.00 0.00 175.22 176.84 1j4u s LYS 133 N -3.55 0.41 0.00 0.44 2.20 -1.04 -2.37 119.74 115.83 1j4u s LYS 133 Ca 0.31 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1j4u s LYS 133 Cb -0.07 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1j4u s LYS 133 CO 0.20 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.51 1j4u n GLY 134 N 1.72 -1.16 3.11 5.54 0.00 -0.19 0.21 105.19 114.42 1j4u n GLY 134 Ca -0.21 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.96 2.40 -0.01 1.61 0.52 -0.66 -0.35 118.95 120.49 1j4u s ARG 135 Ca 0.00 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1j4u s ARG 135 Cb 0.00 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 1j4u s ARG 135 CO 0.00 0.07 -0.18 0.99 0.02 0.00 0.00 175.30 176.20 1j4u s THR 136 N 0.61 1.39 0.00 0.02 2.01 -0.54 -0.46 115.64 118.67 1j4u s THR 136 Ca -0.14 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1j4u s THR 136 Cb -0.16 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1j4u s THR 136 CO 0.04 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1j4u n GLY 137 N 2.54 0.78 0.04 4.40 0.00 -1.26 -1.03 105.19 110.66 1j4u n GLY 137 Ca -0.15 -0.06 0.03 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 0.67 -0.53 1.61 10.43 -1.26 -4.88 116.55 122.59 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 1.53 0.00 0.00 1.84 0.00 0.00 41.12 44.49 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 -2.33 0.00 -4.32 0.64 7.99 -1.26 -4.59 117.00 113.12 1j4u n LEU 139 Ca -0.12 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.41 1j4u n LEU 139 Cb 0.70 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.97 1j4u n LEU 139 CO 0.39 0.00 0.28 -0.22 -1.51 0.00 0.00 177.39 176.33 1j4u s LEU 140 N 0.00 6.30 0.14 2.23 2.96 -0.44 -4.38 118.68 125.49 1j4u s LEU 140 Ca 0.00 -2.08 -0.16 0.00 -0.22 0.00 0.00 54.13 51.68 1j4u s LEU 140 Cb 0.00 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1j4u s LEU 140 CO 0.00 -0.79 1.70 0.44 -1.32 0.00 0.00 176.35 176.39 1j4u h ASP 141 N 8.53 0.56 -5.14 3.68 5.19 -1.08 -1.60 116.42 126.57 1j4u h ASP 141 Ca -0.15 -0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.04 1j4u h ASP 141 Cb 1.08 -0.14 -0.13 0.00 0.18 0.00 0.00 39.33 40.31 1j4u h ASP 141 CO 0.95 0.55 -0.22 0.00 -3.12 0.00 0.00 179.24 177.40 1j4u s ALA 142 N -5.63 -0.51 -0.00 3.45 0.00 -1.14 -1.48 121.76 116.45 1j4u s ALA 142 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1j4u s ALA 142 Cb 0.10 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 1j4u s ALA 142 CO 0.75 -0.61 -0.02 -1.50 0.00 0.00 0.00 175.76 174.38 1j4u s ILE 143 N -3.86 0.16 0.42 0.00 2.07 -0.38 -1.66 121.20 117.95 1j4u s ILE 143 Ca 0.07 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1j4u s ILE 143 Cb 0.03 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.45 1j4u s ILE 143 CO -0.09 0.05 0.10 -0.83 -1.91 0.00 0.00 174.94 172.26 1j4u s GLY 144 N -0.04 2.65 -0.02 1.50 0.00 0.56 -1.84 107.32 110.13 1j4u s GLY 144 Ca 0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 1j4u s GLY 144 CO -0.00 -1.89 0.10 -0.42 0.00 0.00 0.00 173.10 170.89 1j4u s ILE 145 N -3.16 0.03 -0.16 0.90 1.01 -1.01 -2.49 121.20 116.33 1j4u s ILE 145 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 1j4u s ILE 145 Cb 0.03 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 1j4u s ILE 145 CO 0.13 -0.13 0.04 -1.00 0.00 0.00 0.00 174.94 173.98 1j4u s HIS 146 N -0.40 3.22 0.19 3.97 3.76 0.31 -0.45 115.29 125.89 1j4u s HIS 146 Ca -0.05 0.06 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 1j4u s HIS 146 Cb -0.03 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1j4u s HIS 146 CO 0.00 0.22 -0.18 -1.64 -0.85 0.00 0.00 174.74 172.29 1j4u s MET 147 N 0.03 1.35 0.16 1.40 1.00 0.87 -0.20 119.30 123.91 1j4u s MET 147 Ca 0.04 -1.49 -0.24 0.00 0.00 0.00 0.00 55.69 54.00 1j4u s MET 147 Cb -0.12 -1.38 0.06 0.00 0.00 0.00 0.00 34.83 33.39 1j4u s MET 147 CO 0.01 0.27 0.84 -1.54 0.00 0.00 0.00 175.02 174.60 1j4u s SER 148 N -2.89 -0.28 0.00 3.03 1.04 -1.01 -3.24 113.70 110.35 1j4u s SER 148 Ca 0.19 -0.33 0.29 0.00 0.48 0.00 0.00 55.95 56.58 1j4u s SER 148 Cb -0.05 0.54 1.28 0.00 0.10 0.00 0.00 66.02 67.89 1j4u s SER 148 CO 0.08 -0.97 1.87 0.18 0.98 0.00 0.00 173.24 175.38