#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4t n GLN 3 N 0.00 0.81 -3.68 4.33 10.64 -1.26 -5.13 117.38 123.10 1j4t n GLN 3 Ca 0.00 -2.82 -0.15 0.00 -1.83 0.00 0.00 57.00 52.21 1j4t n GLN 3 Cb 0.00 1.20 -0.08 0.00 -0.86 0.00 0.00 30.24 30.50 1j4t n GLN 3 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1j4t s THR 4 N -2.63 0.02 0.00 -0.39 2.01 -1.26 -5.11 115.64 108.28 1j4t s THR 4 Ca 0.10 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1j4t s THR 4 Cb 0.00 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.71 1j4t s THR 4 CO 0.07 -0.11 1.57 -0.63 -0.69 0.00 0.00 174.62 174.83 1j4t s ILE 5 N -0.83 3.44 -0.13 1.82 1.01 -1.20 -4.86 121.20 120.46 1j4t s ILE 5 Ca -0.09 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 1j4t s ILE 5 Cb -0.03 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1j4t s ILE 5 CO 0.05 -0.03 -0.02 -0.89 0.00 0.00 0.00 174.94 174.05 1j4t s THR 6 N 3.08 4.07 -0.10 2.92 2.01 -1.26 -0.76 115.64 125.60 1j4t s THR 6 Ca 0.70 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.43 1j4t s THR 6 Cb -0.35 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1j4t s THR 6 CO 0.29 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.85 1j4t s VAL 7 N -0.08 1.86 0.00 3.82 1.01 0.10 -4.93 120.40 122.18 1j4t s VAL 7 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1j4t s VAL 7 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1j4t s VAL 7 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1j4t n GLY 8 N 3.71 1.10 0.00 4.51 0.00 -1.26 -0.99 105.19 112.25 1j4t n GLY 8 Ca -0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1j4t n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4t n SER 9 N 5.32 0.00 -4.77 1.61 2.88 -1.25 -4.91 113.62 112.50 1j4t n SER 9 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1j4t n SER 9 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1j4t n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4t s TRP 10 N 0.00 3.17 0.00 0.66 0.51 0.29 -4.64 118.94 118.93 1j4t s TRP 10 Ca 0.00 1.52 0.00 0.00 -2.12 0.00 0.00 56.10 55.50 1j4t s TRP 10 Cb 0.00 -3.51 0.00 0.00 -0.81 0.00 0.00 33.47 29.15 1j4t s TRP 10 CO 0.00 -1.42 0.00 0.41 -0.51 0.00 0.00 176.95 175.43 1j4t n GLY 11 N 0.85 0.50 3.43 0.98 0.00 -1.26 0.11 105.19 109.79 1j4t n GLY 11 Ca 0.01 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1j4t n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4t s GLY 12 N 0.00 2.49 0.00 -0.02 0.00 -0.08 -4.83 107.32 104.88 1j4t s GLY 12 Ca 0.00 -1.52 0.22 0.00 0.00 0.00 0.00 44.72 43.42 1j4t s GLY 12 CO 0.00 -1.70 1.69 -1.55 0.00 0.00 0.00 173.10 171.54 1j4t n PRO 13 N -0.80 1.36 -2.00 2.90 -0.04 -1.26 -4.45 135.00 130.72 1j4t n PRO 13 Ca -0.01 -0.54 -0.29 0.00 -0.04 0.00 0.00 63.50 62.61 1j4t n PRO 13 Cb 0.64 -1.37 0.20 0.00 -0.04 0.00 0.00 33.50 32.93 1j4t n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j4t n GLY 14 N 0.99 -1.29 0.18 0.55 0.00 -1.26 -4.97 105.19 99.39 1j4t n GLY 14 Ca 0.16 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1j4t n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 15 N -3.71 -1.49 3.88 -0.02 0.00 -1.26 -4.77 105.19 97.81 1j4t n GLY 15 Ca 0.17 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1j4t n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4t s ASN 16 N -3.18 6.34 0.59 1.61 -0.87 0.25 -4.94 114.94 114.74 1j4t s ASN 16 Ca 0.00 0.42 -0.10 0.00 -1.57 0.00 0.00 52.86 51.61 1j4t s ASN 16 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.16 1j4t s ASN 16 CO 0.00 0.37 0.98 -0.83 -2.57 0.00 0.00 177.10 175.05 1j4t s GLY 17 N -1.29 1.65 0.10 0.66 0.00 -1.26 -2.59 107.32 104.59 1j4t s GLY 17 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 1j4t s GLY 17 CO 0.08 0.10 0.04 0.66 0.00 0.00 0.00 173.10 173.99 1j4t s TRP 18 N -3.07 0.69 -0.25 1.90 -2.14 0.64 -4.88 118.94 111.83 1j4t s TRP 18 Ca 0.54 -1.13 -0.03 0.00 2.66 0.00 0.00 56.10 58.15 1j4t s TRP 18 Cb -0.11 -0.41 0.13 0.00 -3.10 0.00 0.00 33.47 29.99 1j4t s TRP 18 CO 0.51 -0.48 0.38 0.34 -2.66 0.00 0.00 176.95 175.04 1j4t s ASP 19 N -2.99 0.26 0.42 -2.66 -1.08 -1.26 -2.70 116.67 106.65 1j4t s ASP 19 Ca 0.17 0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.63 1j4t s ASP 19 Cb 0.07 1.11 0.74 0.00 -1.46 0.00 0.00 42.92 43.38 1j4t s ASP 19 CO -0.03 -0.30 1.75 -0.33 0.52 0.00 0.00 175.17 176.77 1j4t h GLU 20 N 8.18 0.00 0.00 4.34 5.08 -1.14 -3.49 114.58 127.56 1j4t h GLU 20 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1j4t h GLU 20 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j4t h GLU 20 CO 0.27 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1j4t n GLY 21 N 0.43 -1.20 3.58 -3.84 0.00 -1.26 -4.96 105.19 97.95 1j4t n GLY 21 Ca 0.01 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 1j4t n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 22 N -4.00 4.37 0.27 1.61 0.01 -1.26 -3.97 113.70 110.74 1j4t s SER 22 Ca 0.00 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 56.57 1j4t s SER 22 Cb 0.00 -0.80 0.03 0.00 0.21 0.00 0.00 66.02 65.46 1j4t s SER 22 CO 0.00 0.13 0.78 -0.31 0.41 0.00 0.00 173.24 174.25 1j4t s TYR 23 N -1.51 -0.12 -2.48 2.43 1.51 -0.80 -4.98 117.35 111.39 1j4t s TYR 23 Ca 0.24 -0.34 0.23 0.00 -1.01 0.00 0.00 57.07 56.18 1j4t s TYR 23 Cb -0.10 0.72 0.61 0.00 -0.11 0.00 0.00 41.96 43.08 1j4t s TYR 23 CO 0.15 -1.22 1.49 2.41 -1.11 0.00 0.00 175.55 177.27 1j4t n THR 24 N -0.48 0.23 -1.94 -0.71 -1.04 -0.82 -4.81 114.28 104.72 1j4t n THR 24 Ca -0.05 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1j4t n THR 24 Cb 0.59 0.75 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 1j4t n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j4t n GLY 25 N 1.28 -2.04 3.20 3.41 0.00 -1.25 -4.89 105.19 104.91 1j4t n GLY 25 Ca 0.17 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1j4t n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4t s ILE 26 N -2.50 1.34 -0.03 -0.61 1.01 -1.26 -2.00 121.20 117.15 1j4t s ILE 26 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1j4t s ILE 26 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 1j4t s ILE 26 CO 0.00 -0.02 -0.01 0.54 0.00 0.00 0.00 174.94 175.45 1j4t n ARG 27 N 1.59 1.33 -3.63 2.79 1.74 0.89 -4.66 116.66 116.72 1j4t n ARG 27 Ca -0.19 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.74 1j4t n ARG 27 Cb 0.54 -1.06 -0.07 0.00 -1.02 0.00 0.00 32.46 30.85 1j4t n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4t s GLN 28 N -2.06 0.88 0.07 5.56 0.74 -0.98 -0.71 119.66 123.17 1j4t s GLN 28 Ca -0.03 0.09 0.06 0.00 0.05 0.00 0.00 55.36 55.53 1j4t s GLN 28 Cb 0.01 0.41 -0.03 0.00 1.10 0.00 0.00 33.01 34.50 1j4t s GLN 28 CO 0.08 -0.26 -0.16 0.42 -0.55 0.00 0.00 175.29 174.82 1j4t s ILE 29 N -1.19 1.26 -0.01 -2.34 1.01 -1.08 -0.27 121.20 118.56 1j4t s ILE 29 Ca -0.12 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.28 1j4t s ILE 29 Cb -0.02 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1j4t s ILE 29 CO 0.07 -0.12 -0.07 -1.61 0.00 0.00 0.00 174.94 173.21 1j4t s GLU 30 N -1.61 0.66 0.10 2.79 2.02 -0.47 -1.58 118.70 120.61 1j4t s GLU 30 Ca 0.01 -0.24 -0.16 0.00 0.02 0.00 0.00 54.97 54.61 1j4t s GLU 30 Cb -0.09 -0.64 0.03 0.00 0.10 0.00 0.00 34.13 33.52 1j4t s GLU 30 CO 0.02 0.11 0.38 -0.48 0.02 0.00 0.00 175.26 175.31 1j4t s LEU 31 N 0.05 0.52 0.24 1.80 0.05 -1.22 -0.64 118.68 119.49 1j4t s LEU 31 Ca -0.00 -0.27 0.10 0.00 0.05 0.00 0.00 54.13 54.01 1j4t s LEU 31 Cb -0.05 1.71 -0.04 0.00 -2.05 0.00 0.00 46.19 45.76 1j4t s LEU 31 CO -0.00 -0.78 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.99 1j4t s SER 32 N -2.58 4.20 0.17 1.48 1.04 -0.20 -2.09 113.70 115.72 1j4t s SER 32 Ca 0.01 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 55.51 1j4t s SER 32 Cb 0.01 -0.66 0.05 0.00 0.10 0.00 0.00 66.02 65.52 1j4t s SER 32 CO -0.09 0.04 0.54 -0.72 0.98 0.00 0.00 173.24 173.99 1j4t s TYR 33 N -2.18 -0.34 0.00 5.02 1.13 -0.28 -1.04 117.35 119.66 1j4t s TYR 33 Ca 0.29 0.06 0.00 0.00 -1.41 0.00 0.00 57.07 56.01 1j4t s TYR 33 Cb -0.07 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1j4t s TYR 33 CO 0.17 -0.86 0.00 1.17 -2.51 0.00 0.00 175.55 173.53 1j4t n LYS 34 N -0.34 0.00 0.00 -3.49 4.81 -1.26 -0.03 118.16 117.85 1j4t n LYS 34 Ca -0.14 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.32 1j4t n LYS 34 Cb 0.64 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.70 1j4t n LYS 34 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1j4t n GLU 35 N -2.04 1.24 -3.87 1.64 0.00 -1.26 -4.19 120.64 112.16 1j4t n GLU 35 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 57.16 56.45 1j4t n GLU 35 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 31.44 30.42 1j4t n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1j4t s ALA 36 N -0.74 -0.70 0.16 -1.84 0.00 -1.24 -3.85 121.76 113.55 1j4t s ALA 36 Ca 0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1j4t s ALA 36 Cb 0.05 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.91 1j4t s ALA 36 CO 0.11 -0.97 0.62 0.42 0.00 0.00 0.00 175.76 175.93 1j4t s ILE 37 N -3.05 4.73 0.00 0.00 -1.09 -0.59 -4.52 121.20 116.68 1j4t s ILE 37 Ca 0.16 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1j4t s ILE 37 Cb -0.05 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1j4t s ILE 37 CO 0.11 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 1j4t n GLY 38 N 0.94 0.58 3.77 6.18 0.00 -0.21 -1.89 105.19 114.56 1j4t n GLY 38 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1j4t n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 39 N 0.52 6.00 -0.21 1.61 0.01 -1.26 -3.53 113.70 116.84 1j4t s SER 39 Ca 0.00 2.44 -0.05 0.00 1.31 0.00 0.00 55.95 59.65 1j4t s SER 39 Cb 0.00 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.72 1j4t s SER 39 CO 0.00 -1.04 0.40 0.12 0.41 0.00 0.00 173.24 173.13 1j4t s PHE 40 N -1.46 -0.80 -0.12 2.43 5.36 0.10 -1.04 117.98 122.46 1j4t s PHE 40 Ca 0.64 1.30 -0.05 0.00 -0.96 0.00 0.00 56.93 57.86 1j4t s PHE 40 Cb -0.32 0.21 0.06 0.00 -0.34 0.00 0.00 43.02 42.62 1j4t s PHE 40 CO 0.39 -0.55 0.25 -1.54 -1.46 0.00 0.00 175.22 172.31 1j4t s SER 41 N 2.59 0.30 0.05 6.13 1.04 0.19 -2.11 113.70 121.89 1j4t s SER 41 Ca 0.03 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1j4t s SER 41 Cb -0.13 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1j4t s SER 41 CO -0.13 -0.23 0.16 -0.69 0.98 0.00 0.00 173.24 173.33 1j4t s VAL 42 N 2.21 5.11 -0.21 5.02 1.01 -1.26 -1.36 120.40 130.92 1j4t s VAL 42 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1j4t s VAL 42 Cb -0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1j4t s VAL 42 CO -0.08 0.18 -0.02 -0.63 0.00 0.00 0.00 175.10 174.54 1j4t s ILE 43 N -1.42 3.63 0.59 2.22 1.01 0.63 -0.92 121.20 126.92 1j4t s ILE 43 Ca 0.31 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1j4t s ILE 43 Cb -0.13 -2.65 0.08 0.00 0.01 0.00 0.00 42.46 39.78 1j4t s ILE 43 CO 0.24 0.42 0.70 -0.31 0.00 0.00 0.00 174.94 176.00 1j4t s TYR 44 N 1.26 1.28 -0.17 3.97 2.02 -1.04 -0.08 117.35 124.59 1j4t s TYR 44 Ca 0.03 -0.81 -0.13 0.00 -0.37 0.00 0.00 57.07 55.80 1j4t s TYR 44 Cb -0.14 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 1j4t s TYR 44 CO -0.00 -1.05 0.24 0.34 -1.57 0.00 0.00 175.55 173.51 1j4t s ASP 45 N -4.59 6.37 -0.56 2.29 2.15 -0.85 -1.32 116.67 120.16 1j4t s ASP 45 Ca 0.54 0.42 0.04 0.00 0.43 0.00 0.00 52.55 53.98 1j4t s ASP 45 Cb -0.04 -2.15 0.15 0.00 -0.30 0.00 0.00 42.92 40.57 1j4t s ASP 45 CO 0.34 0.13 0.34 -0.22 -0.17 0.00 0.00 175.17 175.59 1j4t s LEU 46 N 0.42 3.98 -1.03 -1.34 0.20 0.21 -1.95 118.68 119.18 1j4t s LEU 46 Ca 0.14 -3.23 -0.04 0.00 0.69 0.00 0.00 54.13 51.68 1j4t s LEU 46 Cb -0.12 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1j4t s LEU 46 CO 0.02 -0.18 0.88 0.59 -0.29 0.00 0.00 176.35 177.37 1j4t n ASN 47 N 2.78 -4.07 0.00 3.68 5.03 -1.26 -1.43 115.26 119.99 1j4t n ASN 47 Ca 0.12 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.12 1j4t n ASN 47 Cb 0.35 -4.15 0.00 0.00 -1.02 0.00 0.00 39.78 34.96 1j4t n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4t n GLY 48 N -1.46 2.88 3.61 7.41 0.00 -1.26 -5.02 105.19 111.35 1j4t n GLY 48 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1j4t n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 49 N -1.40 5.23 0.23 1.61 1.01 -0.52 -5.05 116.67 117.79 1j4t s ASP 49 Ca 0.00 0.04 -0.31 0.00 0.71 0.00 0.00 52.55 52.99 1j4t s ASP 49 Cb 0.00 -1.75 -0.11 0.00 1.01 0.00 0.00 42.92 42.08 1j4t s ASP 49 CO 0.00 0.24 1.57 -2.16 0.21 0.00 0.00 175.17 175.03 1j4t s PRO 50 N -0.07 4.18 -0.23 8.23 0.04 -1.26 0.63 135.00 146.52 1j4t s PRO 50 Ca 0.04 2.45 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 1j4t s PRO 50 Cb -0.13 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1j4t s PRO 50 CO 0.02 -0.59 -0.08 0.12 0.04 0.00 0.00 177.00 176.51 1j4t s PHE 51 N 0.50 3.01 -0.23 0.56 5.36 -0.43 -4.84 117.98 121.91 1j4t s PHE 51 Ca 0.66 -1.45 -0.28 0.00 -0.96 0.00 0.00 56.93 54.89 1j4t s PHE 51 Cb -0.46 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 1j4t s PHE 51 CO 0.40 -0.71 1.99 0.45 -1.46 0.00 0.00 175.22 175.89 1j4t s SER 52 N 1.35 5.79 0.90 6.13 0.15 -1.26 -2.50 113.70 124.26 1j4t s SER 52 Ca 0.02 1.76 -0.12 0.00 0.70 0.00 0.00 55.95 58.31 1j4t s SER 52 Cb -0.16 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.76 1j4t s SER 52 CO -0.05 -1.71 1.09 -0.83 1.20 0.00 0.00 173.24 172.94 1j4t s GLY 53 N 6.76 1.61 0.32 9.45 0.00 -0.10 -4.95 107.32 120.41 1j4t s GLY 53 Ca 0.90 -0.09 -0.29 0.00 0.00 0.00 0.00 44.72 45.24 1j4t s GLY 53 CO 0.35 0.41 1.38 -4.14 0.00 0.00 0.00 173.10 171.10 1j4t s PRO 54 N -4.94 4.28 -0.21 2.90 0.02 -1.26 -4.75 135.00 131.03 1j4t s PRO 54 Ca 0.63 2.32 -0.24 0.00 0.02 0.00 0.00 61.00 63.73 1j4t s PRO 54 Cb -0.18 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 1j4t s PRO 54 CO 0.57 -0.32 0.77 0.15 -0.33 0.00 0.00 177.00 177.84 1j4t s LYS 55 N -1.48 4.22 -0.67 5.54 1.02 -1.26 -4.63 119.74 122.48 1j4t s LYS 55 Ca 0.53 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 57.35 1j4t s LYS 55 Cb -0.42 -3.61 0.17 0.00 -0.52 0.00 0.00 37.83 33.45 1j4t s LYS 55 CO 0.53 -0.39 0.50 -1.01 -0.92 0.00 0.00 175.35 174.05 1j4t s HIS 56 N 2.41 3.47 0.08 3.18 3.76 -0.90 -5.01 115.29 122.28 1j4t s HIS 56 Ca 0.34 -2.72 -0.08 0.00 -0.15 0.00 0.00 55.06 52.45 1j4t s HIS 56 Cb -0.16 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 30.24 1j4t s HIS 56 CO 0.10 -0.83 0.37 0.99 -0.85 0.00 0.00 174.74 174.51 1j4t s THR 57 N -0.22 5.15 -0.15 1.30 2.01 -1.26 0.03 115.64 122.50 1j4t s THR 57 Ca 0.18 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1j4t s THR 57 Cb -0.18 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1j4t s THR 57 CO -0.05 0.24 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.48 1j4t s SER 58 N -1.92 4.31 0.00 3.53 0.15 -1.26 -4.79 113.70 113.72 1j4t s SER 58 Ca 0.34 -0.26 0.19 0.00 0.70 0.00 0.00 55.95 56.92 1j4t s SER 58 Cb -0.13 -1.68 0.91 0.00 -1.71 0.00 0.00 66.02 63.41 1j4t s SER 58 CO 0.19 0.15 1.60 0.29 1.20 0.00 0.00 173.24 176.68 1j4t n LYS 59 N 3.62 0.17 -1.68 5.44 5.02 -1.26 -4.56 118.16 124.89 1j4t n LYS 59 Ca -0.18 0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1j4t n LYS 59 Cb 0.52 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1j4t n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j4t n LEU 60 N -1.37 3.88 -1.62 -0.35 4.77 -1.26 -4.80 117.00 116.25 1j4t n LEU 60 Ca 0.07 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1j4t n LEU 60 Cb 0.18 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1j4t n LEU 60 CO 0.16 -0.84 0.45 -0.81 -1.33 0.00 0.00 177.39 175.02 1j4t n PRO 61 N -0.06 0.49 -1.06 3.23 -0.04 -1.26 -4.92 135.00 131.37 1j4t n PRO 61 Ca 0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 1j4t n PRO 61 Cb 0.40 -1.25 0.24 0.00 -0.04 0.00 0.00 33.50 32.85 1j4t n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 62 N 0.93 0.42 -0.02 0.54 1.51 -1.26 -4.99 117.35 114.48 1j4t s TYR 62 Ca 0.00 0.49 -0.17 0.00 -1.01 0.00 0.00 57.07 56.38 1j4t s TYR 62 Cb 0.00 -3.44 -0.05 0.00 -0.11 0.00 0.00 41.96 38.35 1j4t s TYR 62 CO 0.00 -3.93 0.48 -1.59 -1.11 0.00 0.00 175.55 169.40 1j4t s LYS 63 N -5.41 4.14 0.07 -0.62 0.00 0.96 -4.71 119.74 114.17 1j4t s LYS 63 Ca 0.71 0.52 -0.15 0.00 0.00 0.00 0.00 55.97 57.05 1j4t s LYS 63 Cb -0.10 -3.30 -0.06 0.00 0.00 0.00 0.00 37.83 34.37 1j4t s LYS 63 CO 0.56 0.50 0.48 -0.80 0.00 0.00 0.00 175.35 176.09 1j4t s ASN 64 N -0.51 6.84 -0.17 0.03 -0.87 -1.26 -1.13 114.94 117.87 1j4t s ASN 64 Ca 0.26 1.03 -0.04 0.00 -1.57 0.00 0.00 52.86 52.54 1j4t s ASN 64 Cb -0.17 -2.27 0.08 0.00 -0.02 0.00 0.00 41.25 38.87 1j4t s ASN 64 CO 0.14 0.23 0.23 0.54 -2.57 0.00 0.00 177.10 175.66 1j4t s VAL 65 N -1.25 -0.35 0.19 1.60 0.11 -0.89 -5.02 120.40 114.80 1j4t s VAL 65 Ca 0.30 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.19 1j4t s VAL 65 Cb -0.16 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1j4t s VAL 65 CO 0.17 -0.07 0.73 -0.54 -3.33 0.00 0.00 175.10 172.05 1j4t s LYS 66 N 2.35 4.35 -0.58 1.54 1.02 -1.26 -3.38 119.74 123.78 1j4t s LYS 66 Ca 0.05 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.03 1j4t s LYS 66 Cb -0.14 -3.04 0.15 0.00 -0.52 0.00 0.00 37.83 34.27 1j4t s LYS 66 CO -0.10 0.48 0.35 0.42 -0.92 0.00 0.00 175.35 175.58 1j4t s ILE 67 N -1.36 2.48 -0.16 2.17 1.01 -0.61 -4.97 121.20 119.75 1j4t s ILE 67 Ca 0.39 -3.59 -0.29 0.00 0.00 0.00 0.00 60.65 57.16 1j4t s ILE 67 Cb -0.19 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 1j4t s ILE 67 CO 0.22 -0.91 1.09 -1.61 0.00 0.00 0.00 174.94 173.74 1j4t s GLU 68 N -0.67 4.31 -0.07 2.79 2.02 -1.26 -2.65 118.70 123.16 1j4t s GLU 68 Ca 0.21 1.46 0.03 0.00 0.02 0.00 0.00 54.97 56.69 1j4t s GLU 68 Cb -0.16 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.42 1j4t s GLU 68 CO -0.07 -0.54 -0.15 -0.48 0.02 0.00 0.00 175.26 174.04 1j4t s LEU 69 N 2.80 2.67 -0.03 1.80 0.05 0.12 -4.99 118.68 121.10 1j4t s LEU 69 Ca 0.49 -0.26 -0.23 0.00 0.05 0.00 0.00 54.13 54.17 1j4t s LEU 69 Cb -0.18 -1.55 -0.28 0.00 -2.05 0.00 0.00 46.19 42.13 1j4t s LEU 69 CO 0.13 0.28 1.46 2.29 -0.55 0.00 0.00 176.35 179.96 1j4t n LYS 70 N 2.72 0.06 -2.58 1.48 -0.00 -1.26 -4.84 118.16 113.74 1j4t n LYS 70 Ca -0.17 -0.90 -0.36 0.00 -0.00 0.00 0.00 58.31 56.87 1j4t n LYS 70 Cb 0.52 -2.39 -0.04 0.00 -0.00 0.00 0.00 35.03 33.12 1j4t n LYS 70 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1j4t s PHE 71 N 6.42 3.30 -2.24 5.58 2.19 -1.26 -0.01 117.98 131.96 1j4t s PHE 71 Ca 0.51 1.65 0.19 0.00 0.33 0.00 0.00 56.93 59.62 1j4t s PHE 71 Cb 0.11 -3.09 0.68 0.00 -1.31 0.00 0.00 43.02 39.41 1j4t s PHE 71 CO 0.25 -0.53 1.50 -0.35 1.83 0.00 0.00 175.22 177.92 1j4t n PRO 72 N -0.07 1.76 0.12 10.12 -0.04 -1.26 -4.87 135.00 140.75 1j4t n PRO 72 Ca 0.05 -1.15 -0.03 0.00 -0.04 0.00 0.00 63.50 62.33 1j4t n PRO 72 Cb 0.50 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.67 1j4t n PRO 72 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1j4t h ASP 73 N 2.25 0.01 -3.89 3.54 3.58 -1.85 -3.44 116.42 116.63 1j4t h ASP 73 Ca 0.00 -0.01 -0.68 0.00 0.42 0.00 0.00 57.03 56.76 1j4t h ASP 73 Cb 0.50 -0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.33 1j4t h ASP 73 CO 0.00 0.73 -0.81 -0.70 -2.88 0.00 0.00 179.24 175.57 1j4t s GLU 74 N -3.38 1.90 0.24 0.28 2.12 0.99 -4.87 118.70 115.99 1j4t s GLU 74 Ca -0.01 -1.09 -0.22 0.00 0.36 0.00 0.00 54.97 54.01 1j4t s GLU 74 Cb 0.12 -2.13 0.03 0.00 0.26 0.00 0.00 34.13 32.41 1j4t s GLU 74 CO 0.78 0.51 0.79 -0.59 -0.54 0.00 0.00 175.26 176.21 1j4t s PHE 75 N -1.01 -0.17 0.05 5.30 -0.12 -1.26 -4.08 117.98 116.68 1j4t s PHE 75 Ca 0.16 -0.24 -0.31 0.00 -0.05 0.00 0.00 56.93 56.49 1j4t s PHE 75 Cb -0.10 0.69 -0.06 0.00 -0.63 0.00 0.00 43.02 42.91 1j4t s PHE 75 CO 0.07 -1.12 1.30 -0.51 -0.05 0.00 0.00 175.22 174.92 1j4t s LEU 76 N -2.93 4.35 -0.00 -1.99 1.02 -1.26 -2.54 118.68 115.33 1j4t s LEU 76 Ca 0.11 2.11 0.08 0.00 0.02 0.00 0.00 54.13 56.45 1j4t s LEU 76 Cb -0.05 -3.57 -0.09 0.00 0.02 0.00 0.00 46.19 42.50 1j4t s LEU 76 CO 0.06 -0.60 0.29 -1.84 0.02 0.00 0.00 176.35 174.28 1j4t n GLU 77 N 4.44 3.58 -3.66 1.70 0.28 -0.80 -4.68 120.64 121.51 1j4t n GLU 77 Ca 0.11 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.95 1j4t n GLU 77 Cb 0.44 -0.93 -0.08 0.00 1.43 0.00 0.00 31.44 32.31 1j4t n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4t s SER 78 N -1.97 -0.50 -0.05 -1.84 0.15 -1.13 -0.75 113.70 107.61 1j4t s SER 78 Ca 0.02 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 1j4t s SER 78 Cb 0.06 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1j4t s SER 78 CO 0.32 -0.36 0.02 -0.69 1.20 0.00 0.00 173.24 173.72 1j4t s VAL 79 N -0.50 0.20 0.14 4.45 1.01 -1.13 -2.34 120.40 122.23 1j4t s VAL 79 Ca -0.06 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 1j4t s VAL 79 Cb -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1j4t s VAL 79 CO 0.04 0.21 0.04 -0.94 0.00 0.00 0.00 175.10 174.46 1j4t s SER 80 N 1.80 0.52 0.00 3.32 1.04 -0.96 0.46 113.70 119.88 1j4t s SER 80 Ca 0.01 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1j4t s SER 80 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1j4t s SER 80 CO -0.04 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1j4t n GLY 81 N -0.13 -0.94 3.02 7.32 0.00 0.68 -0.17 105.19 114.97 1j4t n GLY 81 Ca -0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1j4t n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4t s TYR 82 N -3.00 0.65 -0.06 1.61 1.51 -0.18 -0.73 117.35 117.16 1j4t s TYR 82 Ca 0.00 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1j4t s TYR 82 Cb 0.00 -0.41 -0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1j4t s TYR 82 CO 0.00 -0.03 -0.22 0.95 -1.11 0.00 0.00 175.55 175.14 1j4t s THR 83 N -0.61 2.31 -0.08 -0.71 -4.23 -1.13 0.23 115.64 111.42 1j4t s THR 83 Ca -0.02 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 1j4t s THR 83 Cb -0.05 -1.86 0.12 0.00 1.34 0.00 0.00 72.50 72.04 1j4t s THR 83 CO 0.00 0.57 1.01 -0.83 -0.54 0.00 0.00 174.62 174.83 1j4t s GLY 84 N -0.24 -0.39 0.72 3.99 0.00 -0.81 -1.03 107.32 109.56 1j4t s GLY 84 Ca -0.01 1.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.86 1j4t s GLY 84 CO 0.03 0.44 1.11 2.56 0.00 0.00 0.00 173.10 177.24 1j4t s PRO 85 N -2.77 2.46 -0.26 2.90 0.04 -1.26 -1.28 135.00 134.83 1j4t s PRO 85 Ca 0.06 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 1j4t s PRO 85 Cb -0.01 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1j4t s PRO 85 CO -0.07 -1.51 0.07 0.12 0.04 0.00 0.00 177.00 175.66 1j4t s PHE 86 N -2.53 1.20 0.19 0.56 5.36 -1.22 -4.89 117.98 116.65 1j4t s PHE 86 Ca 0.65 -1.22 -0.09 0.00 -0.96 0.00 0.00 56.93 55.31 1j4t s PHE 86 Cb -0.20 -1.28 0.11 0.00 -0.34 0.00 0.00 43.02 41.30 1j4t s PHE 86 CO 0.48 -0.75 1.72 0.77 -1.46 0.00 0.00 175.22 175.97 1j4t h SER 87 N 8.21 1.01 -0.39 6.13 0.02 -1.95 -3.03 113.55 123.54 1j4t h SER 87 Ca -0.16 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1j4t h SER 87 Cb 1.06 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.25 1j4t h SER 87 CO 0.41 0.96 -0.21 0.00 -1.14 0.00 0.00 176.83 176.85 1j4t h ALA 88 N 1.09 0.06 -0.90 3.77 0.00 -1.98 0.27 119.26 121.57 1j4t h ALA 88 Ca 0.22 0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.73 1j4t h ALA 88 Cb 0.32 0.50 -0.27 0.00 0.00 0.00 0.00 17.79 18.34 1j4t h ALA 88 CO -0.00 -0.58 0.68 1.28 0.00 0.00 0.00 179.25 180.63 1j4t n LEU 89 N -5.38 6.88 -2.24 0.00 4.77 -1.23 -4.96 117.00 114.84 1j4t n LEU 89 Ca 0.02 -3.72 -0.19 0.00 -0.03 0.00 0.00 56.01 52.09 1j4t n LEU 89 Cb 0.29 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1j4t n LEU 89 CO 0.11 1.19 -0.18 0.00 -1.33 0.00 0.00 177.39 177.18 1j4t n ALA 90 N -0.85 -0.62 -3.86 -1.18 0.00 0.95 -4.94 120.51 110.01 1j4t n ALA 90 Ca 0.55 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.83 1j4t n ALA 90 Cb 1.15 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.10 1j4t n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4t s THR 91 N -2.96 2.60 0.34 0.00 -1.32 -1.16 -4.97 115.64 108.17 1j4t s THR 91 Ca 0.06 -0.94 0.36 0.00 -1.21 0.00 0.00 61.69 59.96 1j4t s THR 91 Cb -0.03 -2.23 0.39 0.00 -1.51 0.00 0.00 72.50 69.12 1j4t s THR 91 CO 0.08 0.35 2.12 1.55 -2.21 0.00 0.00 174.62 176.51 1j4t h PRO 92 N 7.98 0.00 -6.79 7.08 0.13 -1.92 -3.22 132.00 135.26 1j4t h PRO 92 Ca -0.38 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 1j4t h PRO 92 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1j4t h PRO 92 CO 0.60 0.03 0.37 -0.08 -0.23 0.00 0.00 178.00 178.68 1j4t s THR 93 N -3.92 4.01 0.59 1.56 -1.32 -1.26 -4.74 115.64 110.57 1j4t s THR 93 Ca -0.02 1.94 -0.18 0.00 -1.21 0.00 0.00 61.69 62.22 1j4t s THR 93 Cb 0.11 -4.20 -0.06 0.00 -1.51 0.00 0.00 72.50 66.84 1j4t s THR 93 CO 0.51 0.40 0.79 -2.65 -2.21 0.00 0.00 174.62 171.46 1j4t n PRO 94 N 1.22 0.72 -4.18 7.08 -0.02 -1.26 -4.44 135.00 134.12 1j4t n PRO 94 Ca -0.01 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1j4t n PRO 94 Cb 0.47 -1.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1j4t n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4t s VAL 95 N -1.60 0.67 -0.25 -1.45 1.01 -0.40 -3.51 120.40 114.87 1j4t s VAL 95 Ca 0.74 -1.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.53 1j4t s VAL 95 Cb -0.42 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1j4t s VAL 95 CO 0.49 -0.79 0.81 0.68 0.00 0.00 0.00 175.10 176.29 1j4t s VAL 96 N -3.64 4.85 -0.06 2.92 -7.23 -0.39 -1.92 120.40 114.92 1j4t s VAL 96 Ca 0.14 1.49 -0.24 0.00 -1.81 0.00 0.00 61.98 61.57 1j4t s VAL 96 Cb 0.05 -4.10 -0.26 0.00 0.56 0.00 0.00 36.38 32.64 1j4t s VAL 96 CO -0.03 -0.08 0.96 0.03 -0.31 0.00 0.00 175.10 175.67 1j4t h ARG 97 N 7.74 0.19 -3.72 4.82 2.47 0.26 -1.57 114.38 124.57 1j4t h ARG 97 Ca -0.23 -0.24 -0.14 0.00 -1.26 0.00 0.00 59.98 58.10 1j4t h ARG 97 Cb 1.10 0.08 -0.20 0.00 -1.65 0.00 0.00 29.97 29.30 1j4t h ARG 97 CO 0.86 1.02 -0.55 0.45 0.56 0.00 0.00 179.97 182.31 1j4t s SER 98 N -6.47 0.13 -0.02 7.04 0.15 -1.20 -2.75 113.70 110.58 1j4t s SER 98 Ca -0.16 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.14 1j4t s SER 98 Cb 0.00 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1j4t s SER 98 CO 0.76 -0.41 -0.12 -0.22 1.20 0.00 0.00 173.24 174.45 1j4t s LEU 99 N -1.67 1.97 -0.16 3.45 2.96 -0.85 -1.01 118.68 123.37 1j4t s LEU 99 Ca -0.11 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1j4t s LEU 99 Cb -0.06 -0.67 0.05 0.00 0.50 0.00 0.00 46.19 46.01 1j4t s LEU 99 CO -0.01 0.14 -0.00 0.28 -1.32 0.00 0.00 176.35 175.44 1j4t s THR 100 N -0.18 0.69 -0.01 3.68 -1.32 0.77 -2.29 115.64 116.98 1j4t s THR 100 Ca 0.03 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 59.92 1j4t s THR 100 Cb -0.06 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 1j4t s THR 100 CO -0.00 -0.00 0.39 -0.36 -2.21 0.00 0.00 174.62 172.43 1j4t s PHE 101 N 1.80 3.71 -0.01 9.09 0.08 -1.23 -2.28 117.98 129.15 1j4t s PHE 101 Ca 0.01 0.95 0.02 0.00 0.12 0.00 0.00 56.93 58.03 1j4t s PHE 101 Cb -0.16 -2.27 -0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1j4t s PHE 101 CO -0.07 0.64 -0.07 0.21 -0.10 0.00 0.00 175.22 175.83 1j4t s LYS 102 N -1.03 0.62 0.35 0.44 2.47 -0.99 -0.76 119.74 120.85 1j4t s LYS 102 Ca 0.23 -0.24 0.08 0.00 -1.56 0.00 0.00 55.97 54.48 1j4t s LYS 102 Cb -0.16 -0.60 -0.04 0.00 -1.46 0.00 0.00 37.83 35.56 1j4t s LYS 102 CO 0.12 0.13 0.12 0.95 0.16 0.00 0.00 175.35 176.84 1j4t s THR 103 N -0.05 2.89 0.31 3.43 -4.23 -0.79 -1.90 115.64 115.30 1j4t s THR 103 Ca 0.01 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1j4t s THR 103 Cb -0.04 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1j4t s THR 103 CO -0.00 -0.17 1.93 -0.55 -0.54 0.00 0.00 174.62 175.29 1j4t h ASN 104 N 1.59 0.89 -0.06 3.99 -0.00 -1.83 -2.77 115.58 117.38 1j4t h ASN 104 Ca -0.43 -0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 55.70 1j4t h ASN 104 Cb 1.25 -0.19 -0.06 0.00 -0.00 0.00 0.00 38.32 39.32 1j4t h ASN 104 CO 0.64 0.59 -0.26 0.29 -0.00 0.00 0.00 177.43 178.69 1j4t n LYS 105 N -4.47 1.82 -0.29 4.14 5.02 -1.26 -4.88 118.16 118.23 1j4t n LYS 105 Ca 0.12 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1j4t n LYS 105 Cb 0.16 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1j4t n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4t n GLY 106 N 2.19 0.00 3.77 0.72 0.00 -1.05 -4.95 105.19 105.87 1j4t n GLY 106 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 1j4t n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 107 N -0.59 4.41 -0.17 1.61 0.52 -1.26 -4.87 118.95 118.60 1j4t s ARG 107 Ca 0.00 0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 1j4t s ARG 107 Cb 0.00 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.15 1j4t s ARG 107 CO 0.00 0.43 -0.14 -0.08 0.02 0.00 0.00 175.30 175.53 1j4t s THR 108 N -0.49 2.71 -1.24 0.02 -1.32 -1.26 -1.89 115.64 112.17 1j4t s THR 108 Ca 0.34 -0.74 -0.09 0.00 -1.21 0.00 0.00 61.69 59.99 1j4t s THR 108 Cb -0.20 -2.17 0.19 0.00 -1.51 0.00 0.00 72.50 68.81 1j4t s THR 108 CO 0.21 0.50 1.75 0.49 -2.21 0.00 0.00 174.62 175.37 1j4t n PHE 109 N 4.30 3.17 0.00 9.09 3.01 0.06 -4.93 117.46 132.17 1j4t n PHE 109 Ca -0.19 -2.86 0.00 0.00 1.01 0.00 0.00 57.45 55.41 1j4t n PHE 109 Cb 0.51 -1.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.10 1j4t n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j4t n GLY 110 N 2.77 0.00 2.88 1.37 0.00 -1.26 -3.49 105.19 107.46 1j4t n GLY 110 Ca 0.37 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.87 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4t n PRO 111 N 0.00 0.00 -3.83 1.61 -0.02 -1.26 -4.82 135.00 126.68 1j4t n PRO 111 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1j4t n PRO 111 Cb 0.00 -1.21 -0.13 0.00 -0.02 0.00 0.00 33.50 32.14 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j4t s TYR 112 N 3.39 3.26 0.00 6.00 2.02 -0.97 -4.97 117.35 126.08 1j4t s TYR 112 Ca 0.90 -1.63 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 1j4t s TYR 112 Cb -1.21 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.15 1j4t s TYR 112 CO 0.61 -0.76 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1j4t n GLY 113 N 4.72 -0.52 3.72 0.71 0.00 -1.26 -2.00 105.19 110.56 1j4t n GLY 113 Ca -0.13 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.27 1j4t n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 114 N -2.96 6.83 -0.62 1.61 1.11 -1.11 -4.77 116.67 116.75 1j4t s ASP 114 Ca 0.00 0.99 -0.06 0.00 0.18 0.00 0.00 52.55 53.66 1j4t s ASP 114 Cb 0.00 -2.34 -0.08 0.00 1.07 0.00 0.00 42.92 41.57 1j4t s ASP 114 CO 0.00 -0.04 3.07 -0.62 1.18 0.00 0.00 175.17 178.76 1j4t n GLU 115 N 3.66 2.82 -4.98 8.23 1.02 -1.26 -3.65 120.64 126.48 1j4t n GLU 115 Ca -0.05 -1.99 -0.32 0.00 -0.02 0.00 0.00 57.16 54.78 1j4t n GLU 115 Cb 0.51 -2.28 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 1j4t n GLU 115 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j4t s GLU 116 N 0.06 2.80 0.00 3.49 -1.05 -1.26 -5.04 118.70 117.70 1j4t s GLU 116 Ca 0.63 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1j4t s GLU 116 Cb 0.29 -2.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 1j4t s GLU 116 CO -0.09 0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1j4t n GLY 117 N 2.91 0.87 3.64 -3.83 0.00 -1.26 -4.41 105.19 103.11 1j4t n GLY 117 Ca -0.18 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1j4t n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4t s THR 118 N -2.66 5.23 0.23 2.61 -1.32 -0.20 -4.80 115.64 114.73 1j4t s THR 118 Ca 0.00 0.14 -0.32 0.00 -1.21 0.00 0.00 61.69 60.30 1j4t s THR 118 Cb 0.00 -3.44 -0.12 0.00 -1.51 0.00 0.00 72.50 67.43 1j4t s THR 118 CO 0.00 0.34 1.67 0.00 -2.21 0.00 0.00 174.62 174.42 1j4t n TYR 119 N 4.35 2.74 -4.93 9.09 9.36 -1.26 -2.82 117.16 133.69 1j4t n TYR 119 Ca -0.15 0.13 -0.27 0.00 3.32 0.00 0.00 57.90 60.93 1j4t n TYR 119 Cb 0.52 -2.64 -0.16 0.00 -0.63 0.00 0.00 39.34 36.43 1j4t n TYR 119 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 1j4t s PHE 120 N 0.76 1.82 -0.02 2.98 -0.12 0.10 -4.95 117.98 118.55 1j4t s PHE 120 Ca 0.72 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1j4t s PHE 120 Cb -0.52 -1.21 0.01 0.00 -0.63 0.00 0.00 43.02 40.67 1j4t s PHE 120 CO 0.38 -0.14 -0.03 1.21 -0.05 0.00 0.00 175.22 176.59 1j4t s ASN 121 N -0.12 0.54 -0.43 1.98 2.47 -1.26 -0.23 114.94 117.88 1j4t s ASN 121 Ca -0.01 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.22 1j4t s ASN 121 Cb -0.11 -0.16 0.15 0.00 -1.45 0.00 0.00 41.25 39.68 1j4t s ASN 121 CO 0.02 -0.00 0.28 -0.22 -3.72 0.00 0.00 177.10 173.45 1j4t s LEU 122 N 0.35 2.11 0.26 3.21 2.96 0.17 -4.95 118.68 122.80 1j4t s LEU 122 Ca -0.04 -2.71 -0.28 0.00 -0.22 0.00 0.00 54.13 50.88 1j4t s LEU 122 Cb -0.07 -0.77 -0.09 0.00 0.50 0.00 0.00 46.19 45.76 1j4t s LEU 122 CO -0.01 -0.24 0.92 -2.84 -1.32 0.00 0.00 176.35 172.86 1j4t s PRO 123 N 0.32 4.71 -0.20 0.98 0.02 -1.26 -2.85 135.00 136.71 1j4t s PRO 123 Ca 0.22 1.37 -0.02 0.00 0.02 0.00 0.00 61.00 62.60 1j4t s PRO 123 Cb -0.16 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1j4t s PRO 123 CO -0.06 0.43 -0.11 0.42 -0.33 0.00 0.00 177.00 177.35 1j4t s ILE 124 N -1.35 2.77 -0.19 2.83 1.01 0.07 -4.97 121.20 121.36 1j4t s ILE 124 Ca 0.44 -0.71 0.22 0.00 0.00 0.00 0.00 60.65 60.60 1j4t s ILE 124 Cb -0.23 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.93 1j4t s ILE 124 CO 0.28 0.47 0.91 1.21 0.00 0.00 0.00 174.94 177.80 1j4t n GLU 125 N 4.71 0.62 -3.59 2.79 2.13 -1.26 -4.90 120.64 121.15 1j4t n GLU 125 Ca -0.19 0.04 -0.02 0.00 0.66 0.00 0.00 57.16 57.66 1j4t n GLU 125 Cb 0.50 -1.75 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1j4t n GLU 125 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1j4t s ASN 126 N -5.15 -0.57 0.00 4.31 2.47 -1.26 -5.16 114.94 109.59 1j4t s ASN 126 Ca -0.02 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.12 1j4t s ASN 126 Cb 0.11 1.36 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 1j4t s ASN 126 CO 0.82 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.68 1j4t n GLY 127 N 4.10 0.97 3.61 1.21 0.00 -1.26 -5.00 105.19 108.82 1j4t n GLY 127 Ca -0.16 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 1j4t n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4t s LEU 128 N 0.00 -0.71 0.17 0.99 2.96 0.15 -4.93 118.68 117.32 1j4t s LEU 128 Ca 0.00 1.28 -0.30 0.00 -0.22 0.00 0.00 54.13 54.89 1j4t s LEU 128 Cb 0.00 2.43 -0.08 0.00 0.50 0.00 0.00 46.19 49.05 1j4t s LEU 128 CO 0.00 -0.30 1.12 -0.63 -1.32 0.00 0.00 176.35 175.22 1j4t s ILE 129 N 0.10 3.83 0.00 6.68 1.01 -1.26 -2.38 121.20 129.18 1j4t s ILE 129 Ca -0.02 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1j4t s ILE 129 Cb -0.04 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1j4t s ILE 129 CO 0.02 0.26 0.41 0.52 0.00 0.00 0.00 174.94 176.15 1j4t n VAL 130 N 2.48 0.17 0.00 2.92 0.31 -0.55 -4.56 118.33 119.10 1j4t n VAL 130 Ca 0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1j4t n VAL 130 Cb 0.46 1.26 0.00 0.00 -0.91 0.00 0.00 33.84 34.65 1j4t n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4t n GLY 131 N -0.08 0.94 3.24 2.92 0.00 -1.22 -1.90 105.19 109.08 1j4t n GLY 131 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1j4t n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4t s PHE 132 N -2.00 1.80 0.21 1.61 0.08 -1.25 -1.12 117.98 117.29 1j4t s PHE 132 Ca 0.00 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1j4t s PHE 132 Cb 0.00 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1j4t s PHE 132 CO 0.00 0.06 -0.03 0.21 -0.10 0.00 0.00 175.22 175.36 1j4t s LYS 133 N -0.98 1.25 0.00 0.44 2.20 -1.22 -0.44 119.74 121.00 1j4t s LYS 133 Ca 0.07 -1.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 1j4t s LYS 133 Cb -0.08 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1j4t s LYS 133 CO 0.01 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1j4t n GLY 134 N -0.35 -1.18 3.03 5.54 0.00 -1.10 -2.19 105.19 108.94 1j4t n GLY 134 Ca -0.06 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 1j4t n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 135 N -1.98 2.26 0.39 1.61 0.52 -0.89 -0.26 118.95 120.60 1j4t s ARG 135 Ca 0.00 -0.82 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 1j4t s ARG 135 Cb 0.00 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1j4t s ARG 135 CO 0.00 -0.36 0.31 0.99 0.02 0.00 0.00 175.30 176.26 1j4t s THR 136 N 1.37 2.88 0.00 0.02 2.01 -1.07 -0.56 115.64 120.30 1j4t s THR 136 Ca 0.00 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1j4t s THR 136 Cb -0.15 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1j4t s THR 136 CO -0.09 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1j4t n GLY 137 N -1.42 -1.64 0.10 4.40 0.00 -1.26 -0.58 105.19 104.78 1j4t n GLY 137 Ca 0.01 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 46.56 1j4t n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4t n ASP 138 N -0.13 0.43 -0.43 1.61 8.00 -1.26 -4.91 116.55 119.86 1j4t n ASP 138 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1j4t n ASP 138 Cb 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1j4t n ASP 138 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j4t n LEU 139 N -2.88 0.00 -4.53 0.64 -0.00 -1.26 -4.31 117.00 104.67 1j4t n LEU 139 Ca -0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.28 1j4t n LEU 139 Cb 1.12 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.51 1j4t n LEU 139 CO 0.42 0.00 1.10 -0.22 -0.00 0.00 0.00 177.39 178.69 1j4t s LEU 140 N 0.00 3.50 0.02 1.47 2.96 -0.79 -4.36 118.68 121.48 1j4t s LEU 140 Ca 0.00 -0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 53.02 1j4t s LEU 140 Cb 0.00 -2.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.99 1j4t s LEU 140 CO 0.00 -1.71 1.25 0.44 -1.32 0.00 0.00 176.35 175.01 1j4t h ASP 141 N 9.88 0.42 -5.19 3.68 5.19 -1.15 -1.02 116.42 128.24 1j4t h ASP 141 Ca -0.23 -0.59 -0.10 0.00 -0.62 0.00 0.00 57.03 55.49 1j4t h ASP 141 Cb 1.05 -0.12 -0.14 0.00 0.18 0.00 0.00 39.33 40.30 1j4t h ASP 141 CO 1.27 0.93 -0.48 0.00 -3.12 0.00 0.00 179.24 177.83 1j4t s ALA 142 N -3.88 0.04 -0.09 3.45 0.00 -1.11 -0.90 121.76 119.28 1j4t s ALA 142 Ca -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1j4t s ALA 142 Cb 0.04 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.61 1j4t s ALA 142 CO 0.77 -0.46 0.21 -1.50 0.00 0.00 0.00 175.76 174.79 1j4t s ILE 143 N -3.88 -0.03 0.01 0.00 2.07 0.29 -2.08 121.20 117.58 1j4t s ILE 143 Ca 0.06 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1j4t s ILE 143 Cb 0.06 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 42.32 1j4t s ILE 143 CO -0.11 0.04 0.01 0.61 -1.91 0.00 0.00 174.94 173.58 1j4t n GLY 144 N 3.80 4.07 3.22 1.50 0.00 -0.93 0.10 105.19 116.94 1j4t n GLY 144 Ca -0.21 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1j4t n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4t s ILE 145 N -1.66 0.02 -0.06 -0.61 1.01 -0.16 -3.37 121.20 116.36 1j4t s ILE 145 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 1j4t s ILE 145 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1j4t s ILE 145 CO 0.01 -0.08 0.22 -1.00 0.00 0.00 0.00 174.94 174.08 1j4t s HIS 146 N -0.26 3.61 0.20 3.97 3.76 -0.28 0.00 115.29 126.29 1j4t s HIS 146 Ca -0.04 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1j4t s HIS 146 Cb -0.03 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1j4t s HIS 146 CO 0.01 0.68 0.08 -1.64 -0.85 0.00 0.00 174.74 173.02 1j4t s MET 147 N -1.33 1.20 0.12 1.40 1.00 0.06 -1.48 119.30 120.27 1j4t s MET 147 Ca 0.21 -1.62 -0.26 0.00 0.00 0.00 0.00 55.69 54.02 1j4t s MET 147 Cb -0.13 -0.03 0.07 0.00 0.00 0.00 0.00 34.83 34.74 1j4t s MET 147 CO 0.10 -0.28 0.99 0.45 0.00 0.00 0.00 175.02 176.28 1j4t s SER 148 N -3.19 -0.19 0.00 3.03 0.15 -1.00 -3.24 113.70 109.26 1j4t s SER 148 Ca 0.32 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 56.89 1j4t s SER 148 Cb 0.07 0.44 0.41 0.00 -1.71 0.00 0.00 66.02 65.24 1j4t s SER 148 CO 0.09 -0.81 1.39 0.18 1.20 0.00 0.00 173.24 175.29