#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 2.22 -0.04 4.33 -2.07 -1.26 -5.09 119.66 117.75 1j4u s GLN 3 Ca 0.00 -1.79 -0.03 0.00 -1.82 0.00 0.00 55.36 51.72 1j4u s GLN 3 Cb 0.00 -2.00 0.02 0.00 -1.09 0.00 0.00 33.01 29.94 1j4u s GLN 3 CO 0.00 -0.05 0.10 -0.08 -1.32 0.00 0.00 175.29 173.94 1j4u s THR 4 N -2.57 -0.01 -0.33 3.63 -1.32 -1.26 -5.09 115.64 108.69 1j4u s THR 4 Ca 0.40 0.05 -0.41 0.00 -1.21 0.00 0.00 61.69 60.52 1j4u s THR 4 Cb 0.03 -0.16 -0.16 0.00 -1.51 0.00 0.00 72.50 70.70 1j4u s THR 4 CO 0.22 0.02 1.79 -0.38 -2.21 0.00 0.00 174.62 174.07 1j4u n ILE 5 N 3.35 0.24 -4.33 5.08 5.41 -1.22 -4.72 119.36 123.17 1j4u n ILE 5 Ca -0.16 -0.06 -0.34 0.00 1.00 0.00 0.00 62.75 63.18 1j4u n ILE 5 Cb 0.57 -1.13 -0.12 0.00 -0.71 0.00 0.00 39.64 38.25 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 3.99 3.81 0.10 1.39 2.01 -1.26 -0.72 115.64 124.96 1j4u s THR 6 Ca 1.02 -0.38 0.09 0.00 0.31 0.00 0.00 61.69 62.73 1j4u s THR 6 Cb -1.13 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1j4u s THR 6 CO 0.67 0.48 -0.24 -0.69 -0.69 0.00 0.00 174.62 174.14 1j4u s VAL 7 N 0.57 1.97 0.00 3.82 1.01 0.27 -4.97 120.40 123.08 1j4u s VAL 7 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1j4u s VAL 7 Cb -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1j4u s VAL 7 CO 0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1j4u n GLY 8 N 1.21 1.06 0.00 4.51 0.00 -1.26 -2.28 105.19 108.42 1j4u n GLY 8 Ca -0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 6.44 0.00 -4.84 1.61 7.64 -1.22 -4.95 113.62 118.30 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 -0.01 3.68 -0.80 1.43 0.51 -0.62 -4.85 118.94 118.29 1j4u s TRP 10 Ca 0.00 0.86 0.00 0.00 -2.12 0.00 0.00 56.10 54.84 1j4u s TRP 10 Cb 0.00 -2.21 0.00 0.00 -0.81 0.00 0.00 33.47 30.45 1j4u s TRP 10 CO 0.00 0.65 0.00 0.41 -0.51 0.00 0.00 176.95 177.50 1j4u n GLY 11 N 1.94 0.45 3.95 0.98 0.00 -1.26 -1.45 105.19 109.79 1j4u n GLY 11 Ca -0.15 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 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 2.09 0.00 -0.02 0.00 -0.43 -4.88 107.32 104.08 1j4u s GLY 12 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 44.72 43.15 1j4u s GLY 12 CO 0.00 -1.79 1.42 -1.55 0.00 0.00 0.00 173.10 171.19 1j4u n PRO 13 N -1.89 1.26 -0.49 2.90 -0.04 -1.26 -4.16 135.00 131.32 1j4u n PRO 13 Ca 0.06 -0.40 -0.16 0.00 -0.04 0.00 0.00 63.50 62.96 1j4u n PRO 13 Cb 0.63 -1.23 0.14 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.82 -2.81 5.03 0.55 0.00 -1.26 -4.91 105.19 102.62 1j4u n GLY 14 Ca 0.10 -1.44 0.03 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 -1.62 -0.58 3.86 -0.02 0.00 -1.26 -4.67 105.19 100.89 1j4u n GLY 15 Ca 0.08 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.98 6.14 0.82 1.61 0.02 0.13 -4.77 114.94 114.90 1j4u s ASN 16 Ca 0.00 0.31 -0.12 0.00 -1.02 0.00 0.00 52.86 52.03 1j4u s ASN 16 Cb 0.00 -1.89 0.08 0.00 0.02 0.00 0.00 41.25 39.46 1j4u s ASN 16 CO 0.00 0.30 1.10 -0.83 0.02 0.00 0.00 177.10 177.69 1j4u s GLY 17 N -1.66 1.62 -0.10 0.66 0.00 -1.26 -1.21 107.32 105.36 1j4u s GLY 17 Ca 0.23 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 1j4u s GLY 17 CO 0.14 0.23 0.70 0.66 0.00 0.00 0.00 173.10 174.83 1j4u s TRP 18 N -3.14 -0.68 -0.19 1.90 1.48 0.74 -4.85 118.94 114.20 1j4u s TRP 18 Ca 0.61 1.29 -0.05 0.00 -1.06 0.00 0.00 56.10 56.89 1j4u s TRP 18 Cb -0.15 0.38 0.07 0.00 -1.16 0.00 0.00 33.47 32.61 1j4u s TRP 18 CO 0.54 -0.55 0.09 0.34 -4.06 0.00 0.00 176.95 173.32 1j4u s ASP 19 N -0.84 2.57 0.33 -2.66 3.68 -1.26 -0.97 116.67 117.52 1j4u s ASP 19 Ca -0.08 -0.74 0.26 0.00 2.13 0.00 0.00 52.55 54.12 1j4u s ASP 19 Cb -0.01 -0.28 1.03 0.00 -1.45 0.00 0.00 42.92 42.21 1j4u s ASP 19 CO 0.08 -0.36 1.78 -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 -1.86 -3.49 114.58 127.05 1j4u h GLU 20 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1j4u h GLU 20 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1j4u h GLU 20 CO 0.32 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.74 1j4u n GLY 21 N 0.19 -1.80 3.76 -3.84 0.00 -1.26 -4.96 105.19 97.27 1j4u n GLY 21 Ca 0.02 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 5.51 0.00 1.61 0.01 -1.26 -4.18 113.70 111.38 1j4u s SER 22 Ca 0.00 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1j4u s SER 22 Cb 0.00 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.71 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 1.08 0.00 0.02 2.43 4.02 -0.73 -5.01 117.16 118.98 1j4u n TYR 23 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.72 1j4u n TYR 23 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 1j4u n TYR 23 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j4u h THR 24 N 0.40 0.86 -1.08 -0.72 2.02 -1.24 -3.47 112.91 109.68 1j4u h THR 24 Ca 0.00 -2.53 0.03 0.00 0.77 0.00 0.00 66.41 64.69 1j4u h THR 24 Cb 0.00 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1j4u h THR 24 CO 0.00 0.49 0.09 0.61 0.37 0.00 0.00 175.52 177.08 1j4u n GLY 25 N 1.44 0.37 3.23 2.16 0.00 -1.13 -4.92 105.19 106.34 1j4u n GLY 25 Ca -0.10 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 1.97 -0.13 -0.61 1.01 -1.26 -0.94 121.20 119.23 1j4u s ILE 26 Ca 0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1j4u s ILE 26 Cb -0.00 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.73 1j4u s ILE 26 CO -0.00 0.55 -0.15 0.54 0.00 0.00 0.00 174.94 175.87 1j4u n ARG 27 N 3.14 0.30 -3.88 2.79 1.74 -0.21 -4.82 116.66 115.72 1j4u n ARG 27 Ca -0.18 0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 1j4u n ARG 27 Cb 0.52 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.75 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 -2.25 0.23 -0.08 5.56 0.74 -0.97 -1.50 119.66 121.39 1j4u s GLN 28 Ca -0.18 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.08 1j4u s GLN 28 Cb 0.06 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.27 1j4u s GLN 28 CO 0.26 -0.04 -0.20 0.42 -0.55 0.00 0.00 175.29 175.17 1j4u s ILE 29 N -0.65 1.77 -0.14 -2.34 1.01 -0.19 -0.93 121.20 119.73 1j4u s ILE 29 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1j4u s ILE 29 Cb -0.04 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1j4u s ILE 29 CO 0.00 0.50 -0.21 -1.61 0.00 0.00 0.00 174.94 173.62 1j4u s GLU 30 N 0.37 3.06 0.01 2.79 2.02 -0.43 0.48 118.70 127.00 1j4u s GLU 30 Ca -0.16 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 53.91 1j4u s GLU 30 Cb -0.17 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1j4u s GLU 30 CO 0.07 0.02 0.15 -0.48 0.02 0.00 0.00 175.26 175.05 1j4u s LEU 31 N 0.74 1.50 0.07 1.80 0.05 -0.95 -1.68 118.68 120.21 1j4u s LEU 31 Ca -0.09 -0.25 0.04 0.00 0.05 0.00 0.00 54.13 53.89 1j4u s LEU 31 Cb -0.16 0.75 -0.04 0.00 -2.05 0.00 0.00 46.19 44.70 1j4u s LEU 31 CO 0.00 -0.42 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.41 1j4u s SER 32 N -1.57 4.86 0.17 1.48 1.04 -0.64 -1.57 113.70 117.47 1j4u s SER 32 Ca -0.12 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 1j4u s SER 32 Cb -0.06 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 64.95 1j4u s SER 32 CO 0.00 0.21 0.44 -0.72 0.98 0.00 0.00 173.24 174.15 1j4u s TYR 33 N -1.21 0.01 0.00 5.02 -0.85 -0.03 -0.62 117.35 119.67 1j4u s TYR 33 Ca 0.23 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.42 1j4u s TYR 33 Cb -0.11 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.47 1j4u s TYR 33 CO 0.15 -0.83 0.00 1.17 -1.52 0.00 0.00 175.55 174.52 1j4u n LYS 34 N -0.28 0.00 0.02 -3.49 3.00 -1.26 -1.87 118.16 114.27 1j4u n LYS 34 Ca -0.10 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.33 1j4u n LYS 34 Cb 0.63 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.95 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 0.07 -3.40 1.64 4.71 -1.26 -3.55 120.64 118.85 1j4u n GLU 35 Ca 0.00 0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 57.08 1j4u n GLU 35 Cb 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 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 -1.58 -1.02 -2.70 0.62 0.00 -1.25 -3.07 120.51 111.51 1j4u n ALA 36 Ca 0.05 -1.17 -0.38 0.00 0.00 0.00 0.00 53.44 51.94 1j4u n ALA 36 Cb 0.36 0.93 -0.07 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.45 5.19 0.00 0.00 -1.09 -0.87 -4.40 121.20 117.58 1j4u s ILE 37 Ca 0.17 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1j4u s ILE 37 Cb -0.03 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1j4u s ILE 37 CO 0.13 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1j4u n GLY 38 N 3.53 -0.22 3.79 6.18 0.00 0.21 -1.29 105.19 117.39 1j4u n GLY 38 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.55 7.09 -0.28 1.61 0.01 -1.25 -3.65 113.70 116.67 1j4u s SER 39 Ca 0.00 1.86 0.01 0.00 1.31 0.00 0.00 55.95 59.13 1j4u s SER 39 Cb 0.00 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.82 1j4u s SER 39 CO 0.00 -0.25 0.45 0.12 0.41 0.00 0.00 173.24 173.97 1j4u s PHE 40 N -1.76 -1.16 0.06 2.43 2.19 -0.48 -1.62 117.98 117.63 1j4u s PHE 40 Ca 0.55 0.74 0.04 0.00 0.33 0.00 0.00 56.93 58.59 1j4u s PHE 40 Cb -0.17 0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.56 1j4u s PHE 40 CO 0.22 -0.92 -0.11 -1.54 1.83 0.00 0.00 175.22 174.70 1j4u s SER 41 N 2.63 1.31 0.07 6.13 1.04 -0.67 -3.46 113.70 120.74 1j4u s SER 41 Ca 0.12 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 56.02 1j4u s SER 41 Cb -0.13 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 1j4u s SER 41 CO -0.25 -0.12 -0.11 0.54 0.98 0.00 0.00 173.24 174.29 1j4u s VAL 42 N -1.26 0.86 -0.35 5.02 0.11 -1.26 -1.31 120.40 122.19 1j4u s VAL 42 Ca -0.05 -1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 57.53 1j4u s VAL 42 Cb -0.10 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1j4u s VAL 42 CO 0.01 -0.40 0.20 -0.63 -3.33 0.00 0.00 175.10 170.95 1j4u s ILE 43 N -1.76 4.70 0.75 7.04 1.01 -0.11 -1.63 121.20 131.21 1j4u s ILE 43 Ca -0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1j4u s ILE 43 Cb -0.07 -3.54 0.13 0.00 0.01 0.00 0.00 42.46 38.99 1j4u s ILE 43 CO 0.01 -0.13 1.04 -0.31 0.00 0.00 0.00 174.94 175.54 1j4u s TYR 44 N 1.60 1.65 -0.20 3.97 2.02 0.89 -1.04 117.35 126.24 1j4u s TYR 44 Ca 0.03 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1j4u s TYR 44 Cb -0.18 -3.15 -0.01 0.00 -0.40 0.00 0.00 41.96 38.22 1j4u s TYR 44 CO 0.07 -1.81 -0.06 0.34 -1.57 0.00 0.00 175.55 172.52 1j4u s ASP 45 N -4.75 4.28 -0.63 2.29 2.15 -0.12 0.23 116.67 120.13 1j4u s ASP 45 Ca 0.67 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 53.20 1j4u s ASP 45 Cb -0.05 -1.72 0.16 0.00 -0.30 0.00 0.00 42.92 41.01 1j4u s ASP 45 CO 0.45 0.02 0.50 -0.22 -0.17 0.00 0.00 175.17 175.74 1j4u s LEU 46 N 1.26 5.78 -1.34 -1.34 2.96 0.92 -0.80 118.68 126.12 1j4u s LEU 46 Ca 0.03 -2.52 -0.06 0.00 -0.22 0.00 0.00 54.13 51.35 1j4u s LEU 46 Cb -0.14 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.57 1j4u s LEU 46 CO -0.02 -0.52 1.05 0.59 -1.32 0.00 0.00 176.35 176.13 1j4u n ASN 47 N 4.05 -4.34 0.00 3.68 5.03 -1.26 -2.62 115.26 119.80 1j4u n ASN 47 Ca 0.05 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.86 1j4u n ASN 47 Cb 0.41 -4.75 0.00 0.00 -1.02 0.00 0.00 39.78 34.42 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 -1.67 3.10 3.80 7.41 0.00 -1.26 -5.03 105.19 111.53 1j4u n GLY 48 Ca -0.10 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 6.89 0.26 1.61 1.11 -1.08 -5.03 116.67 120.43 1j4u s ASP 49 Ca 0.00 1.05 -0.30 0.00 0.18 0.00 0.00 52.55 53.48 1j4u s ASP 49 Cb 0.00 -2.30 -0.10 0.00 1.07 0.00 0.00 42.92 41.58 1j4u s ASP 49 CO 0.00 0.23 1.46 -2.16 1.18 0.00 0.00 175.17 175.88 1j4u s PRO 50 N -0.70 4.24 -0.16 8.23 0.04 -1.26 -0.06 135.00 145.33 1j4u s PRO 50 Ca 0.26 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1j4u s PRO 50 Cb -0.17 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.30 1j4u s PRO 50 CO 0.15 -0.45 -0.13 0.12 0.04 0.00 0.00 177.00 176.73 1j4u s PHE 51 N -0.05 2.22 -0.13 0.56 5.36 0.14 -4.79 117.98 121.30 1j4u s PHE 51 Ca 0.60 -1.31 -0.28 0.00 -0.96 0.00 0.00 56.93 54.98 1j4u s PHE 51 Cb -0.43 -1.60 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 1j4u s PHE 51 CO 0.45 -0.69 0.94 -1.54 -1.46 0.00 0.00 175.22 172.92 1j4u s SER 52 N 1.47 7.14 0.88 6.13 1.04 -1.26 -0.07 113.70 129.02 1j4u s SER 52 Ca 0.03 1.40 -0.09 0.00 0.48 0.00 0.00 55.95 57.78 1j4u s SER 52 Cb -0.14 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.63 1j4u s SER 52 CO -0.10 -0.43 1.04 0.61 0.98 0.00 0.00 173.24 175.34 1j4u n GLY 53 N 3.21 -0.62 3.62 7.32 0.00 -0.65 -4.93 105.19 113.15 1j4u n GLY 53 Ca 0.07 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.10 1.55 -2.99 1.61 -0.02 -1.26 -4.72 135.00 126.07 1j4u n PRO 54 Ca 0.14 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 1j4u n PRO 54 Cb 0.50 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.60 4.23 -0.78 -0.52 -0.14 -1.26 -4.47 119.74 115.19 1j4u s LYS 55 Ca 0.58 0.83 0.02 0.00 -1.36 0.00 0.00 55.97 56.04 1j4u s LYS 55 Cb -0.67 -3.60 0.30 0.00 -1.68 0.00 0.00 37.83 32.18 1j4u s LYS 55 CO 0.60 -0.34 1.14 0.72 -0.76 0.00 0.00 175.35 176.71 1j4u n HIS 56 N 5.36 3.32 -2.59 3.18 8.25 -1.22 -5.00 115.22 126.52 1j4u n HIS 56 Ca 0.02 -3.51 -0.31 0.00 -0.26 0.00 0.00 57.72 53.66 1j4u n HIS 56 Cb 0.49 -0.79 -0.02 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.41 4.71 0.23 1.59 -4.23 -1.26 -1.38 115.64 111.88 1j4u s THR 57 Ca 0.40 0.79 0.11 0.00 -1.18 0.00 0.00 61.69 61.82 1j4u s THR 57 Cb 0.17 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.21 1j4u s THR 57 CO -0.04 -0.67 -0.20 -0.94 -0.54 0.00 0.00 174.62 172.22 1j4u s SER 58 N -3.33 3.60 0.19 3.99 1.04 -1.26 -4.84 113.70 113.09 1j4u s SER 58 Ca 0.54 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1j4u s SER 58 Cb -0.10 -0.33 0.10 0.00 0.10 0.00 0.00 66.02 65.78 1j4u s SER 58 CO 0.35 0.08 1.46 0.11 0.98 0.00 0.00 173.24 176.22 1j4u h LYS 59 N 2.77 0.32 -5.57 4.02 1.57 -1.90 -3.45 116.57 114.33 1j4u h LYS 59 Ca -0.44 -0.27 -0.77 0.00 -1.87 0.00 0.00 60.65 57.31 1j4u h LYS 59 Cb 1.23 0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.63 1j4u h LYS 59 CO 0.54 0.91 0.31 1.28 -0.57 0.00 0.00 179.45 181.92 1j4u n LEU 60 N -3.82 0.48 -3.55 2.94 7.99 -1.26 -4.70 117.00 115.09 1j4u n LEU 60 Ca -0.04 1.09 -0.42 0.00 -0.01 0.00 0.00 56.01 56.64 1j4u n LEU 60 Cb 0.70 -0.84 -0.07 0.00 -0.11 0.00 0.00 43.42 43.10 1j4u n LEU 60 CO 0.47 -1.34 1.93 -0.81 -1.51 0.00 0.00 177.39 176.12 1j4u n PRO 61 N 2.40 1.09 -2.91 3.23 -0.04 -1.26 -4.92 135.00 132.58 1j4u n PRO 61 Ca 0.23 -1.56 -0.21 0.00 -0.04 0.00 0.00 63.50 61.92 1j4u n PRO 61 Cb 0.02 -2.75 0.02 0.00 -0.04 0.00 0.00 33.50 30.74 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 5.45 3.05 -0.02 0.54 1.51 -1.26 -5.06 117.35 121.56 1j4u s TYR 62 Ca 0.58 0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 56.39 1j4u s TYR 62 Cb 0.14 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 1j4u s TYR 62 CO 0.17 -0.51 1.07 -1.59 -1.11 0.00 0.00 175.55 173.57 1j4u s LYS 63 N -4.57 4.47 0.47 -0.62 0.00 -0.78 -4.73 119.74 113.97 1j4u s LYS 63 Ca 0.52 1.53 -0.02 0.00 0.00 0.00 0.00 55.97 58.00 1j4u s LYS 63 Cb -0.10 -3.47 -0.01 0.00 0.00 0.00 0.00 37.83 34.25 1j4u s LYS 63 CO 0.37 -0.22 0.72 -0.80 0.00 0.00 0.00 175.35 175.41 1j4u s ASN 64 N 1.12 5.91 -0.23 0.03 -0.87 -1.26 -0.85 114.94 118.79 1j4u s ASN 64 Ca 0.53 0.49 -0.24 0.00 -1.57 0.00 0.00 52.86 52.07 1j4u s ASN 64 Cb -0.23 -1.74 0.07 0.00 -0.02 0.00 0.00 41.25 39.33 1j4u s ASN 64 CO 0.25 -0.70 0.68 0.54 -2.57 0.00 0.00 177.10 175.30 1j4u s VAL 65 N -2.64 0.00 -0.10 1.60 0.11 -0.61 -4.95 120.40 113.81 1j4u s VAL 65 Ca 0.48 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1j4u s VAL 65 Cb -0.10 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1j4u s VAL 65 CO 0.40 -0.00 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.61 1j4u s LYS 66 N 0.16 3.15 -0.37 1.54 1.02 -1.26 -2.24 119.74 121.75 1j4u s LYS 66 Ca -0.01 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 1j4u s LYS 66 Cb -0.04 -2.81 0.09 0.00 -0.52 0.00 0.00 37.83 34.55 1j4u s LYS 66 CO 0.02 0.57 0.11 0.42 -0.92 0.00 0.00 175.35 175.56 1j4u s ILE 67 N -0.53 2.93 -0.43 2.17 1.01 0.18 -4.95 121.20 121.58 1j4u s ILE 67 Ca 0.09 -1.99 -0.20 0.00 0.00 0.00 0.00 60.65 58.55 1j4u s ILE 67 Cb -0.12 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.40 1j4u s ILE 67 CO 0.02 -0.54 0.59 -1.61 0.00 0.00 0.00 174.94 173.40 1j4u s GLU 68 N 1.10 3.27 0.25 2.79 2.02 -1.26 -1.02 118.70 125.84 1j4u s GLU 68 Ca 0.06 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.36 1j4u s GLU 68 Cb -0.21 -3.94 -0.09 0.00 0.10 0.00 0.00 34.13 29.99 1j4u s GLU 68 CO -0.05 -0.94 0.86 -0.51 0.02 0.00 0.00 175.26 174.64 1j4u s LEU 69 N 2.63 4.46 -1.51 1.80 2.01 -0.56 -4.93 118.68 122.58 1j4u s LEU 69 Ca 0.20 1.73 -0.13 0.00 0.01 0.00 0.00 54.13 55.94 1j4u s LEU 69 Cb -0.15 -3.68 0.01 0.00 0.01 0.00 0.00 46.19 42.37 1j4u s LEU 69 CO 0.17 0.06 2.44 2.29 1.01 0.00 0.00 176.35 182.33 1j4u n LYS 70 N 1.01 3.15 -1.97 1.70 2.85 -1.26 -4.88 118.16 118.75 1j4u n LYS 70 Ca -0.01 -2.51 -0.39 0.00 -1.05 0.00 0.00 58.31 54.35 1j4u n LYS 70 Cb 0.49 -3.13 0.01 0.00 -0.65 0.00 0.00 35.03 31.76 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 2.77 2.61 -1.48 5.58 2.19 -1.26 -1.37 117.98 127.03 1j4u s PHE 71 Ca 0.54 1.40 0.20 0.00 0.33 0.00 0.00 56.93 59.40 1j4u s PHE 71 Cb 0.15 -3.69 0.68 0.00 -1.31 0.00 0.00 43.02 38.86 1j4u s PHE 71 CO -0.08 -2.36 1.59 -0.35 1.83 0.00 0.00 175.22 175.85 1j4u n PRO 72 N -0.41 3.30 0.14 10.12 -0.04 -1.26 -4.84 135.00 142.01 1j4u n PRO 72 Ca 0.07 -2.79 0.01 0.00 -0.04 0.00 0.00 63.50 60.75 1j4u n PRO 72 Cb 0.45 -1.75 0.07 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 4.14 0.00 -3.70 3.54 3.32 -1.85 -3.44 116.42 118.43 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 1.25 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.55 1j4u h ASP 73 CO 0.13 0.57 -0.77 -0.70 -1.72 0.00 0.00 179.24 176.75 1j4u s GLU 74 N -3.06 2.91 0.06 3.56 2.12 -0.47 -4.85 118.70 118.96 1j4u s GLU 74 Ca 0.02 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.53 1j4u s GLU 74 Cb 0.09 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 32.01 1j4u s GLU 74 CO 0.75 0.42 0.27 -0.59 -0.54 0.00 0.00 175.26 175.57 1j4u s PHE 75 N -0.21 -0.03 0.24 5.30 -0.71 -1.26 -4.18 117.98 117.13 1j4u s PHE 75 Ca 0.00 -0.19 -0.31 0.00 -1.04 0.00 0.00 56.93 55.39 1j4u s PHE 75 Cb -0.13 0.05 -0.12 0.00 -1.21 0.00 0.00 43.02 41.61 1j4u s PHE 75 CO 0.03 -0.51 1.61 1.28 -1.34 0.00 0.00 175.22 176.29 1j4u n LEU 76 N 0.43 3.88 0.00 -1.99 4.32 -1.26 -1.80 117.00 120.58 1j4u n LEU 76 Ca -0.18 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 1j4u n LEU 76 Cb 0.60 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 1j4u n LEU 76 CO 0.21 0.01 0.21 -1.84 -1.22 0.00 0.00 177.39 174.76 1j4u n GLU 77 N 2.94 0.01 -3.63 3.23 0.28 0.38 -4.74 120.64 119.10 1j4u n GLU 77 Ca 0.13 -0.42 -0.12 0.00 -0.16 0.00 0.00 57.16 56.58 1j4u n GLU 77 Cb 0.34 -0.92 -0.07 0.00 1.43 0.00 0.00 31.44 32.22 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 -0.12 -0.74 -0.08 -1.84 0.15 -1.10 -0.76 113.70 109.21 1j4u s SER 78 Ca 0.00 1.38 -0.00 0.00 0.70 0.00 0.00 55.95 58.03 1j4u s SER 78 Cb 0.00 1.38 0.02 0.00 -1.71 0.00 0.00 66.02 65.72 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 0.59 0.70 0.17 4.45 1.01 -0.77 -2.31 120.40 124.23 1j4u s VAL 79 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1j4u s VAL 79 Cb -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1j4u s VAL 79 CO -0.04 0.30 0.16 -0.94 0.00 0.00 0.00 175.10 174.58 1j4u s SER 80 N 1.49 0.18 0.00 3.32 1.04 -1.01 0.29 113.70 119.01 1j4u s SER 80 Ca -0.01 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1j4u s SER 80 Cb -0.13 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1j4u s SER 80 CO -0.04 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1j4u n GLY 81 N -0.19 -1.35 3.34 7.32 0.00 -0.53 -0.72 105.19 113.05 1j4u n GLY 81 Ca -0.03 -0.96 -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 -2.78 2.18 -0.02 1.61 2.02 -0.57 -2.03 117.35 117.75 1j4u s TYR 82 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 1j4u s TYR 82 Cb 0.00 -1.24 -0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1j4u s TYR 82 CO 0.00 0.21 -0.10 -0.08 -1.57 0.00 0.00 175.55 174.00 1j4u s THR 83 N -0.94 0.87 -0.22 -0.71 -1.32 -0.69 -0.69 115.64 111.94 1j4u s THR 83 Ca 0.11 -0.43 -0.35 0.00 -1.21 0.00 0.00 61.69 59.81 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 1.25 -0.83 -2.21 0.00 0.00 174.62 173.13 1j4u s GLY 84 N 0.01 -0.23 0.79 6.08 0.00 -0.65 0.01 107.32 113.33 1j4u s GLY 84 Ca -0.00 1.82 -0.12 0.00 0.00 0.00 0.00 44.72 46.42 1j4u s GLY 84 CO 0.00 0.64 1.12 2.56 0.00 0.00 0.00 173.10 177.43 1j4u s PRO 85 N -2.13 1.99 -0.16 2.90 0.04 -1.26 -1.15 135.00 135.22 1j4u s PRO 85 Ca 0.09 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1j4u s PRO 85 Cb -0.01 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1j4u s PRO 85 CO -0.04 -1.87 -0.10 0.12 0.04 0.00 0.00 177.00 175.14 1j4u s PHE 86 N -2.63 2.87 -0.07 0.56 5.99 -1.26 -4.84 117.98 118.60 1j4u s PHE 86 Ca 0.65 -0.80 -0.06 0.00 0.00 0.00 0.00 56.93 56.73 1j4u s PHE 86 Cb -0.21 -1.94 -0.03 0.00 0.00 0.00 0.00 43.02 40.84 1j4u s PHE 86 CO 0.53 -0.35 0.26 0.66 -0.00 0.00 0.00 175.22 176.32 1j4u h SER 87 N 7.24 -0.18 -0.90 6.13 4.64 -1.96 -3.34 113.55 125.17 1j4u h SER 87 Ca -0.32 0.01 0.30 0.00 -0.47 0.00 0.00 61.79 61.31 1j4u h SER 87 Cb 1.19 0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.16 1j4u h SER 87 CO 0.58 0.25 0.22 0.00 -0.87 0.00 0.00 176.83 177.01 1j4u n ALA 88 N -2.70 0.66 -2.65 5.18 0.00 -1.26 -1.85 120.51 117.90 1j4u n ALA 88 Ca -0.03 0.95 -0.42 0.00 0.00 0.00 0.00 53.44 53.94 1j4u n ALA 88 Cb 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 -5.20 6.87 0.00 0.00 4.77 -1.25 -4.97 117.00 117.23 1j4u n LEU 89 Ca 0.27 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.17 1j4u n LEU 89 Cb 0.90 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1j4u n LEU 89 CO -0.03 1.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.76 1j4u n ALA 90 N 1.70 0.00 -3.57 -1.18 0.00 -0.77 -4.85 120.51 111.85 1j4u n ALA 90 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 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 0.20 0.00 -1.32 -1.26 -5.04 115.64 108.20 1j4u s THR 91 Ca 0.00 0.08 0.28 0.00 -1.21 0.00 0.00 61.69 60.84 1j4u s THR 91 Cb 0.00 -0.52 0.29 0.00 -1.51 0.00 0.00 72.50 70.76 1j4u s THR 91 CO 0.00 0.03 1.94 1.55 -2.21 0.00 0.00 174.62 175.93 1j4u h PRO 92 N 6.69 0.00 -6.48 7.08 0.13 -1.89 -3.40 132.00 134.14 1j4u h PRO 92 Ca -0.35 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.29 1j4u h PRO 92 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1j4u h PRO 92 CO 0.31 0.14 -0.19 -0.08 -0.23 0.00 0.00 178.00 177.95 1j4u s THR 93 N -3.78 5.09 0.74 1.56 -1.32 -1.26 -4.90 115.64 111.77 1j4u s THR 93 Ca -0.00 -0.29 -0.15 0.00 -1.21 0.00 0.00 61.69 60.03 1j4u s THR 93 Cb 0.11 -3.81 0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1j4u s THR 93 CO 0.59 -0.45 1.25 -2.84 -2.21 0.00 0.00 174.62 170.96 1j4u s PRO 94 N -3.98 2.04 0.03 7.08 0.02 -1.26 -4.26 135.00 134.67 1j4u s PRO 94 Ca 0.41 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.33 1j4u s PRO 94 Cb -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1j4u s PRO 94 CO 0.34 -1.95 -0.03 0.08 -0.33 0.00 0.00 177.00 175.11 1j4u s VAL 95 N -1.80 0.18 -0.46 3.83 1.01 -0.30 -2.77 120.40 120.09 1j4u s VAL 95 Ca 0.78 -1.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1j4u s VAL 95 Cb -0.33 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1j4u s VAL 95 CO 0.46 -0.68 1.37 0.68 0.00 0.00 0.00 175.10 176.93 1j4u s VAL 96 N -2.35 3.92 -0.03 2.92 -7.23 -0.66 -1.64 120.40 115.32 1j4u s VAL 96 Ca -0.07 0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 60.82 1j4u s VAL 96 Cb -0.03 -4.32 -0.32 0.00 0.56 0.00 0.00 36.38 32.26 1j4u s VAL 96 CO -0.04 -0.90 0.87 0.03 -0.31 0.00 0.00 175.10 174.75 1j4u h ARG 97 N 10.58 0.37 -5.47 4.82 2.47 -1.18 -2.30 114.38 123.67 1j4u h ARG 97 Ca -0.27 -0.63 -0.43 0.00 -1.26 0.00 0.00 59.98 57.40 1j4u h ARG 97 Cb 1.10 0.24 -0.19 0.00 -1.65 0.00 0.00 29.97 29.46 1j4u h ARG 97 CO 1.11 1.30 -0.76 0.45 0.56 0.00 0.00 179.97 182.63 1j4u s SER 98 N -7.18 2.03 -0.05 7.04 0.15 -1.12 -3.30 113.70 111.27 1j4u s SER 98 Ca -0.13 -0.80 -0.04 0.00 0.70 0.00 0.00 55.95 55.68 1j4u s SER 98 Cb 0.02 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1j4u s SER 98 CO 0.86 -0.13 0.13 -0.22 1.20 0.00 0.00 173.24 175.08 1j4u s LEU 99 N -2.40 1.41 -0.11 3.45 2.96 -0.85 -1.52 118.68 121.63 1j4u s LEU 99 Ca 0.08 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1j4u s LEU 99 Cb -0.05 0.44 0.05 0.00 0.50 0.00 0.00 46.19 47.12 1j4u s LEU 99 CO 0.03 -0.06 0.26 0.28 -1.32 0.00 0.00 176.35 175.54 1j4u s THR 100 N 0.19 -0.12 0.13 3.68 -1.32 0.10 -1.01 115.64 117.30 1j4u s THR 100 Ca -0.01 0.17 0.04 0.00 -1.21 0.00 0.00 61.69 60.69 1j4u s THR 100 Cb -0.02 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1j4u s THR 100 CO -0.01 0.07 0.11 -0.36 -2.21 0.00 0.00 174.62 172.22 1j4u s PHE 101 N 1.51 3.15 -0.07 9.09 0.40 -1.23 -2.42 117.98 128.42 1j4u s PHE 101 Ca -0.07 0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1j4u s PHE 101 Cb -0.11 -1.55 0.03 0.00 0.51 0.00 0.00 43.02 41.90 1j4u s PHE 101 CO -0.09 0.52 -0.02 0.21 0.70 0.00 0.00 175.22 176.54 1j4u s LYS 102 N -2.83 0.78 0.30 0.44 2.47 -0.98 -0.77 119.74 119.15 1j4u s LYS 102 Ca 0.30 -0.01 0.03 0.00 -1.56 0.00 0.00 55.97 54.73 1j4u s LYS 102 Cb -0.11 -0.98 -0.03 0.00 -1.46 0.00 0.00 37.83 35.25 1j4u s LYS 102 CO 0.23 -0.22 0.46 0.95 0.16 0.00 0.00 175.35 176.93 1j4u s THR 103 N 1.55 5.14 0.62 3.43 -4.23 -0.00 -0.47 115.64 121.67 1j4u s THR 103 Ca -0.01 -0.73 0.36 0.00 -1.18 0.00 0.00 61.69 60.13 1j4u s THR 103 Cb -0.13 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.26 1j4u s THR 103 CO -0.04 -0.44 2.31 -0.55 -0.54 0.00 0.00 174.62 175.37 1j4u h ASN 104 N 0.95 0.00 0.00 3.99 -0.00 -1.66 -1.35 115.58 117.52 1j4u h ASN 104 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.79 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 -3.54 0.98 0.00 4.14 4.76 -1.26 -4.86 118.16 118.38 1j4u n LYS 105 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1j4u n LYS 105 Cb 0.08 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 0.61 2.36 3.69 0.72 0.00 -0.51 -5.02 105.19 107.04 1j4u n GLY 106 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.59 4.27 -0.12 1.61 0.52 -1.26 -4.83 118.95 118.55 1j4u s ARG 107 Ca 0.00 2.05 0.01 0.00 -0.52 0.00 0.00 55.73 57.28 1j4u s ARG 107 Cb 0.00 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1j4u s ARG 107 CO 0.00 -0.60 -0.17 -0.08 0.02 0.00 0.00 175.30 174.47 1j4u s THR 108 N 2.34 2.64 -0.89 0.02 -1.32 -1.26 -0.82 115.64 116.34 1j4u s THR 108 Ca 0.66 -0.81 -0.17 0.00 -1.21 0.00 0.00 61.69 60.16 1j4u s THR 108 Cb -0.34 -2.08 0.16 0.00 -1.51 0.00 0.00 72.50 68.74 1j4u s THR 108 CO 0.28 0.54 1.01 -0.36 -2.21 0.00 0.00 174.62 173.87 1j4u s PHE 109 N 0.40 3.33 0.00 9.09 0.40 0.05 -4.99 117.98 126.25 1j4u s PHE 109 Ca -0.13 -1.58 0.00 0.00 -0.60 0.00 0.00 56.93 54.62 1j4u s PHE 109 Cb -0.17 -4.13 0.00 0.00 0.51 0.00 0.00 43.02 39.23 1j4u s PHE 109 CO 0.06 -1.33 0.00 0.41 0.70 0.00 0.00 175.22 175.07 1j4u n GLY 110 N 5.00 0.00 3.69 4.36 0.00 -1.26 -3.54 105.19 113.44 1j4u n GLY 110 Ca 0.20 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.67 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 1.29 -3.80 1.61 -0.04 -1.26 -4.79 135.00 128.01 1j4u n PRO 111 Ca 0.00 0.47 -0.35 0.00 -0.04 0.00 0.00 63.50 63.58 1j4u n PRO 111 Cb 0.00 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.18 3.43 0.00 0.54 1.51 -0.18 -4.91 117.35 120.92 1j4u s TYR 112 Ca 0.96 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.36 1j4u s TYR 112 Cb -1.01 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.74 1j4u s TYR 112 CO 0.61 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.84 1j4u n GLY 113 N 3.17 -0.13 3.77 0.71 0.00 -1.26 -2.00 105.19 109.45 1j4u n GLY 113 Ca -0.17 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1j4u n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4u n ASP 114 N -0.84 3.69 -3.78 1.61 10.43 -1.18 -4.55 116.55 121.93 1j4u n ASP 114 Ca 0.00 1.20 -0.42 0.00 2.57 0.00 0.00 54.79 58.14 1j4u n ASP 114 Cb 0.00 -1.62 0.01 0.00 1.84 0.00 0.00 41.12 41.35 1j4u n ASP 114 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1j4u n GLU 115 N 0.26 4.39 -4.09 -1.24 1.02 -1.26 -3.19 120.64 116.52 1j4u n GLU 115 Ca 0.02 -3.99 -0.14 0.00 -0.02 0.00 0.00 57.16 53.03 1j4u n GLU 115 Cb 0.40 -2.67 -0.11 0.00 -0.02 0.00 0.00 31.44 29.03 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 -1.64 0.62 0.00 3.49 -1.05 -1.26 -5.05 118.70 113.81 1j4u s GLU 116 Ca 0.40 -0.85 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1j4u s GLU 116 Cb 0.12 -0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.41 1j4u s GLU 116 CO -0.01 0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.68 1j4u n GLY 117 N 1.30 0.27 3.73 -3.83 0.00 -1.26 -4.35 105.19 101.04 1j4u n GLY 117 Ca -0.22 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.13 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 4.93 0.46 2.61 -1.32 0.10 -4.75 115.64 117.67 1j4u s THR 118 Ca 0.00 1.57 -0.21 0.00 -1.21 0.00 0.00 61.69 61.85 1j4u s THR 118 Cb 0.00 -4.10 -0.09 0.00 -1.51 0.00 0.00 72.50 66.80 1j4u s THR 118 CO 0.00 0.28 1.01 -0.47 -2.21 0.00 0.00 174.62 173.22 1j4u s TYR 119 N 0.55 3.14 -0.06 9.09 5.04 -1.26 -1.70 117.35 132.14 1j4u s TYR 119 Ca 0.40 1.60 -0.06 0.00 -2.44 0.00 0.00 57.07 56.57 1j4u s TYR 119 Cb -0.19 -2.99 0.01 0.00 0.35 0.00 0.00 41.96 39.14 1j4u s TYR 119 CO 0.21 -0.54 0.16 -0.59 -1.34 0.00 0.00 175.55 173.44 1j4u s PHE 120 N -2.02 -0.16 -0.13 4.97 -0.12 -0.86 -4.95 117.98 114.70 1j4u s PHE 120 Ca 0.65 0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 57.86 1j4u s PHE 120 Cb -0.14 0.05 0.06 0.00 -0.63 0.00 0.00 43.02 42.36 1j4u s PHE 120 CO 0.18 -0.10 0.29 1.21 -0.05 0.00 0.00 175.22 176.75 1j4u s ASN 121 N -0.01 0.03 -0.46 1.98 2.47 -1.26 -1.46 114.94 116.23 1j4u s ASN 121 Ca -0.01 0.65 -0.05 0.00 0.42 0.00 0.00 52.86 53.87 1j4u s ASN 121 Cb -0.02 0.70 0.12 0.00 -1.45 0.00 0.00 41.25 40.61 1j4u s ASN 121 CO 0.00 -0.21 0.29 -0.22 -3.72 0.00 0.00 177.10 173.24 1j4u s LEU 122 N 2.03 5.40 -0.21 3.21 2.96 0.14 -4.97 118.68 127.25 1j4u s LEU 122 Ca -0.03 -2.14 -0.26 0.00 -0.22 0.00 0.00 54.13 51.49 1j4u s LEU 122 Cb -0.11 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1j4u s LEU 122 CO -0.09 -0.56 0.87 -2.84 -1.32 0.00 0.00 176.35 172.41 1j4u s PRO 123 N 1.00 4.25 -0.39 0.98 0.02 -1.26 -1.85 135.00 137.75 1j4u s PRO 123 Ca 0.09 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.02 1j4u s PRO 123 Cb -0.23 -3.61 0.01 0.00 0.02 0.00 0.00 34.50 30.68 1j4u s PRO 123 CO -0.03 -0.46 0.33 0.42 -0.33 0.00 0.00 177.00 176.93 1j4u s ILE 124 N 2.61 5.22 -0.02 2.83 1.01 0.06 -4.91 121.20 127.99 1j4u s ILE 124 Ca 0.38 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1j4u s ILE 124 Cb -0.16 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.17 1j4u s ILE 124 CO 0.09 -0.25 0.77 -0.08 0.00 0.00 0.00 174.94 175.47 1j4u h GLU 125 N 8.60 0.09 -2.30 2.79 4.81 -1.96 -3.46 114.58 123.15 1j4u h GLU 125 Ca -0.28 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 1j4u h GLU 125 Cb 1.13 0.06 -0.28 0.00 0.63 0.00 0.00 28.75 30.29 1j4u h GLU 125 CO 0.72 0.81 -0.40 1.21 -0.73 0.00 0.00 179.01 180.62 1j4u s ASN 126 N -6.52 -0.15 0.00 1.04 2.47 -1.26 -5.14 114.94 105.38 1j4u s ASN 126 Ca -0.07 0.78 0.00 0.00 0.42 0.00 0.00 52.86 53.99 1j4u s ASN 126 Cb 0.08 1.31 0.00 0.00 -1.45 0.00 0.00 41.25 41.19 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 5.39 1.95 2.97 1.21 0.00 -1.26 -5.00 105.19 110.44 1j4u n GLY 127 Ca -0.07 -1.73 -0.19 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 1.74 -0.30 0.99 1.02 0.25 -4.93 118.68 117.45 1j4u s LEU 128 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 54.13 53.70 1j4u s LEU 128 Cb 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 46.19 45.74 1j4u s LEU 128 CO 0.00 0.04 1.39 -0.63 0.02 0.00 0.00 176.35 177.17 1j4u s ILE 129 N 0.26 4.00 -1.92 -0.59 1.01 -1.26 -2.31 121.20 120.39 1j4u s ILE 129 Ca -0.04 1.11 0.17 0.00 0.00 0.00 0.00 60.65 61.89 1j4u s ILE 129 Cb -0.08 -4.07 0.21 0.00 0.01 0.00 0.00 42.46 38.53 1j4u s ILE 129 CO 0.00 -0.49 1.11 0.55 0.00 0.00 0.00 174.94 176.12 1j4u n VAL 130 N 6.42 0.24 0.00 2.92 3.14 0.17 -4.49 118.33 126.73 1j4u n VAL 130 Ca 0.16 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1j4u n VAL 130 Cb 0.47 1.15 0.00 0.00 -1.06 0.00 0.00 33.84 34.39 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 0.96 0.99 3.62 7.55 0.00 -1.22 -1.77 105.19 115.32 1j4u n GLY 131 Ca 0.12 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 2.70 0.00 1.61 0.40 -1.26 -0.71 117.98 118.72 1j4u s PHE 132 Ca 0.00 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.08 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 0.57 0.08 0.21 0.70 0.00 0.00 175.22 176.78 1j4u s LYS 133 N -3.25 0.38 0.00 0.44 2.20 -1.02 -2.35 119.74 116.14 1j4u s LYS 133 Ca 0.28 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1j4u s LYS 133 Cb -0.08 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1j4u s LYS 133 CO 0.18 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1j4u n GLY 134 N 1.70 -1.21 3.14 5.54 0.00 -0.14 0.23 105.19 114.45 1j4u n GLY 134 Ca -0.22 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.77 2.36 -0.01 1.61 0.52 -0.59 -0.19 118.95 120.87 1j4u s ARG 135 Ca 0.00 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1j4u s ARG 135 Cb 0.00 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 1j4u s ARG 135 CO 0.00 0.14 -0.16 0.99 0.02 0.00 0.00 175.30 176.29 1j4u s THR 136 N 0.39 1.29 0.00 0.02 2.01 -0.35 -0.55 115.64 118.45 1j4u s THR 136 Ca -0.14 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1j4u s THR 136 Cb -0.16 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1j4u s THR 136 CO 0.06 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1j4u n GLY 137 N 2.66 0.64 0.01 4.40 0.00 -1.26 -0.69 105.19 110.94 1j4u n GLY 137 Ca -0.15 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 1.09 -0.80 1.61 10.43 -1.26 -4.87 116.55 122.75 1j4u n ASP 138 Ca 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.30 1j4u n ASP 138 Cb 0.00 1.72 0.00 0.00 1.84 0.00 0.00 41.12 44.68 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 -2.04 0.00 -4.35 0.64 7.99 -1.26 -4.57 117.00 113.42 1j4u n LEU 139 Ca -0.03 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.51 1j4u n LEU 139 Cb 0.43 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1j4u n LEU 139 CO 0.36 0.00 0.40 -0.22 -1.51 0.00 0.00 177.39 176.41 1j4u s LEU 140 N 0.00 6.14 0.17 2.23 2.96 -0.41 -4.38 118.68 125.39 1j4u s LEU 140 Ca 0.00 -2.11 -0.13 0.00 -0.22 0.00 0.00 54.13 51.67 1j4u s LEU 140 Cb 0.00 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.51 1j4u s LEU 140 CO 0.00 -0.82 1.76 0.44 -1.32 0.00 0.00 176.35 176.41 1j4u h ASP 141 N 8.50 0.72 -5.15 3.68 5.19 -1.14 -1.76 116.42 126.46 1j4u h ASP 141 Ca -0.09 -0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.13 1j4u h ASP 141 Cb 1.07 -0.19 -0.12 0.00 0.18 0.00 0.00 39.33 40.27 1j4u h ASP 141 CO 0.94 0.64 -0.18 0.00 -3.12 0.00 0.00 179.24 177.52 1j4u s ALA 142 N -5.73 -0.51 -0.01 3.45 0.00 -1.13 -1.32 121.76 116.51 1j4u s ALA 142 Ca -0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1j4u s ALA 142 Cb 0.12 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1j4u s ALA 142 CO 0.77 -0.66 0.01 -1.50 0.00 0.00 0.00 175.76 174.39 1j4u s ILE 143 N -3.88 -0.01 0.44 0.00 2.07 -0.53 -1.55 121.20 117.74 1j4u s ILE 143 Ca 0.09 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1j4u s ILE 143 Cb 0.02 -0.03 -0.03 0.00 0.13 0.00 0.00 42.46 42.55 1j4u s ILE 143 CO -0.06 0.02 0.07 -0.83 -1.91 0.00 0.00 174.94 172.23 1j4u s GLY 144 N 0.19 2.73 -0.00 1.50 0.00 0.64 -1.59 107.32 110.78 1j4u s GLY 144 Ca -0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.66 1j4u s GLY 144 CO -0.01 -1.98 0.03 -0.42 0.00 0.00 0.00 173.10 170.73 1j4u s ILE 145 N -3.07 0.06 -0.14 0.90 1.01 -0.97 -2.45 121.20 116.55 1j4u s ILE 145 Ca 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1j4u s ILE 145 Cb 0.03 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1j4u s ILE 145 CO 0.10 -0.26 -0.01 -1.00 0.00 0.00 0.00 174.94 173.78 1j4u s HIS 146 N -0.79 3.10 0.15 3.97 3.76 0.11 -0.56 115.29 125.03 1j4u s HIS 146 Ca -0.09 -0.08 0.08 0.00 -0.15 0.00 0.00 55.06 54.82 1j4u s HIS 146 Cb -0.05 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1j4u s HIS 146 CO -0.00 0.15 -0.16 -1.64 -0.85 0.00 0.00 174.74 172.24 1j4u s MET 147 N -0.03 1.20 0.12 1.40 1.00 0.11 0.43 119.30 123.53 1j4u s MET 147 Ca 0.03 -1.37 -0.25 0.00 0.00 0.00 0.00 55.69 54.09 1j4u s MET 147 Cb -0.13 -1.16 0.07 0.00 0.00 0.00 0.00 34.83 33.61 1j4u s MET 147 CO 0.02 0.23 0.87 -1.54 0.00 0.00 0.00 175.02 174.60 1j4u s SER 148 N -2.66 -0.28 0.00 3.03 1.04 -0.98 -3.37 113.70 110.48 1j4u s SER 148 Ca 0.14 -0.27 0.29 0.00 0.48 0.00 0.00 55.95 56.59 1j4u s SER 148 Cb -0.05 0.50 1.22 0.00 0.10 0.00 0.00 66.02 67.79 1j4u s SER 148 CO 0.05 -0.88 1.84 0.18 0.98 0.00 0.00 173.24 175.41