#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 0.86 -3.61 4.33 6.02 -1.26 -5.09 117.38 118.63 1j4t n GLN 3 Ca 0.00 -1.31 -0.15 0.00 -0.01 0.00 0.00 57.00 55.52 1j4t n GLN 3 Cb 0.00 -0.08 -0.07 0.00 1.02 0.00 0.00 30.24 31.11 1j4t n GLN 3 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1j4t s THR 4 N -0.55 0.01 0.23 5.09 -1.32 -1.26 -5.09 115.64 112.75 1j4t s THR 4 Ca 0.24 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.38 1j4t s THR 4 Cb -0.02 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 69.96 1j4t s THR 4 CO 0.15 -0.02 1.34 -0.63 -2.21 0.00 0.00 174.62 173.25 1j4t s ILE 5 N -0.43 3.00 -0.12 5.08 1.09 -1.06 -4.87 121.20 123.89 1j4t s ILE 5 Ca -0.06 0.85 0.02 0.00 -1.10 0.00 0.00 60.65 60.37 1j4t s ILE 5 Cb -0.03 -3.54 -0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1j4t s ILE 5 CO 0.05 0.14 -0.20 -0.89 -0.10 0.00 0.00 174.94 173.94 1j4t s THR 6 N -0.11 2.35 -0.20 2.92 2.01 -1.26 -1.27 115.64 120.08 1j4t s THR 6 Ca 0.56 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 1j4t s THR 6 Cb -0.38 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1j4t s THR 6 CO 0.41 0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.09 1j4t s VAL 7 N 0.50 2.80 0.00 3.82 1.01 -0.18 -4.94 120.40 123.42 1j4t s VAL 7 Ca -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1j4t s VAL 7 Cb -0.17 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1j4t s VAL 7 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1j4t n GLY 8 N 4.69 0.95 3.15 4.51 0.00 -1.26 -3.08 105.19 114.16 1j4t n GLY 8 Ca -0.19 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.14 1j4t n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 9 N -4.00 -0.14 -0.20 1.61 0.01 -1.25 -4.88 113.70 104.84 1j4t s SER 9 Ca 0.00 0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.22 1j4t s SER 9 Cb 0.00 1.12 -0.05 0.00 0.21 0.00 0.00 66.02 67.30 1j4t s SER 9 CO 0.00 -0.03 0.25 0.26 0.41 0.00 0.00 173.24 174.13 1j4t s TRP 10 N 2.99 3.39 -4.54 2.43 0.51 0.11 -4.85 118.94 118.98 1j4t s TRP 10 Ca -0.08 0.44 0.00 0.00 -2.12 0.00 0.00 56.10 54.33 1j4t s TRP 10 Cb -0.09 -2.33 0.00 0.00 -0.81 0.00 0.00 33.47 30.24 1j4t s TRP 10 CO -0.08 0.14 0.00 0.41 -0.51 0.00 0.00 176.95 176.91 1j4t n GLY 11 N 3.82 0.94 3.41 0.98 0.00 -1.26 -0.53 105.19 112.54 1j4t n GLY 11 Ca -0.13 -1.93 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1j4t n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4t n GLY 12 N 0.00 2.06 1.73 -0.02 0.00 -0.95 -4.89 105.19 103.11 1j4t n GLY 12 Ca 0.00 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.87 1j4t n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 13 N -2.05 4.31 -1.71 1.61 -0.04 -1.26 -4.37 135.00 131.49 1j4t n PRO 13 Ca 0.12 -2.91 -0.17 0.00 -0.04 0.00 0.00 63.50 60.50 1j4t n PRO 13 Cb 0.53 -2.10 0.10 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.80 -0.09 6.55 0.55 0.00 -1.26 -4.96 105.19 106.78 1j4t n GLY 14 Ca 0.26 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.52 -1.60 3.34 -0.02 0.00 -1.26 -4.59 105.19 100.53 1j4t n GLY 15 Ca 0.11 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.03 4.32 0.51 1.61 -0.87 0.76 -4.81 114.94 112.43 1j4t s ASN 16 Ca 0.00 -0.35 -0.22 0.00 -1.57 0.00 0.00 52.86 50.72 1j4t s ASN 16 Cb 0.00 -1.73 -0.08 0.00 -0.02 0.00 0.00 41.25 39.43 1j4t s ASN 16 CO 0.00 0.03 1.05 0.61 -2.57 0.00 0.00 177.10 176.22 1j4t n GLY 17 N 4.49 -0.07 3.17 0.66 0.00 -1.26 -2.50 105.19 109.67 1j4t n GLY 17 Ca -0.18 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1j4t n GLY 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j4t s TRP 18 N -1.37 0.39 -0.21 1.61 -2.14 -1.20 -4.93 118.94 111.09 1j4t s TRP 18 Ca 0.69 -0.86 -0.04 0.00 2.66 0.00 0.00 56.10 58.55 1j4t s TRP 18 Cb -0.48 -0.23 0.11 0.00 -3.10 0.00 0.00 33.47 29.77 1j4t s TRP 18 CO 0.52 -0.49 0.33 0.34 -2.66 0.00 0.00 176.95 174.99 1j4t s ASP 19 N -2.91 0.47 0.17 -2.66 -1.08 -1.26 -2.15 116.67 107.24 1j4t s ASP 19 Ca 0.09 0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.63 1j4t s ASP 19 Cb 0.06 0.91 0.91 0.00 -1.46 0.00 0.00 42.92 43.34 1j4t s ASP 19 CO -0.08 -0.29 1.73 -0.62 0.52 0.00 0.00 175.17 176.43 1j4t n GLU 20 N 5.35 0.16 0.00 4.34 1.02 -0.53 -4.98 120.64 126.00 1j4t n GLU 20 Ca -0.05 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1j4t n GLU 20 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1j4t n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j4t n GLY 21 N 0.68 -2.19 3.62 0.62 0.00 -1.26 -4.96 105.19 101.70 1j4t n GLY 21 Ca 0.04 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1j4t n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j4t s SER 22 N -3.37 4.62 0.00 1.61 1.04 -1.26 -4.24 113.70 112.10 1j4t s SER 22 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1j4t s SER 22 Cb 0.00 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1j4t s SER 22 CO 0.00 0.14 0.00 -1.22 0.98 0.00 0.00 173.24 173.14 1j4t n TYR 23 N 0.35 -0.04 0.74 5.02 4.02 -0.82 -5.03 117.16 121.40 1j4t n TYR 23 Ca -0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.89 1j4t n TYR 23 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1j4t n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j4t n THR 24 N 0.00 0.07 0.00 -0.72 -1.04 -0.80 -4.85 114.28 106.94 1j4t n THR 24 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1j4t n THR 24 Cb 0.00 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 1.43 -1.02 3.25 3.41 0.00 -1.23 -4.91 105.19 106.11 1j4t n GLY 25 Ca 0.03 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 2.17 -0.16 -0.61 1.01 -1.26 -1.01 121.20 119.34 1j4t s ILE 26 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1j4t s ILE 26 Cb 0.00 -1.83 -0.10 0.00 0.01 0.00 0.00 42.46 40.54 1j4t s ILE 26 CO 0.00 0.56 -0.15 0.54 0.00 0.00 0.00 174.94 175.89 1j4t n ARG 27 N 3.38 0.40 -3.67 2.79 1.74 -0.32 -4.75 116.66 116.23 1j4t n ARG 27 Ca -0.19 0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 1j4t n ARG 27 Cb 0.53 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.32 0.62 -0.13 5.56 0.74 -0.79 -0.88 119.66 122.47 1j4t s GLN 28 Ca -0.22 0.95 -0.01 0.00 0.05 0.00 0.00 55.36 56.13 1j4t s GLN 28 Cb 0.06 0.18 -0.02 0.00 1.10 0.00 0.00 33.01 34.33 1j4t s GLN 28 CO 0.36 -0.12 -0.08 0.42 -0.55 0.00 0.00 175.29 175.32 1j4t s ILE 29 N 1.03 3.50 -0.48 -2.34 1.01 -0.97 -0.14 121.20 122.81 1j4t s ILE 29 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1j4t s ILE 29 Cb -0.05 -2.49 0.13 0.00 0.01 0.00 0.00 42.46 40.06 1j4t s ILE 29 CO -0.10 0.53 0.25 -1.61 0.00 0.00 0.00 174.94 174.01 1j4t s GLU 30 N 0.13 1.64 0.58 2.79 2.02 0.83 -1.76 118.70 124.92 1j4t s GLU 30 Ca -0.04 -2.32 0.10 0.00 0.02 0.00 0.00 54.97 52.73 1j4t s GLU 30 Cb -0.14 -2.82 0.09 0.00 0.10 0.00 0.00 34.13 31.35 1j4t s GLU 30 CO 0.04 -1.14 0.79 -0.48 0.02 0.00 0.00 175.26 174.48 1j4t s LEU 31 N 0.02 3.06 0.15 1.80 0.05 -1.24 -3.11 118.68 119.41 1j4t s LEU 31 Ca 0.17 -0.89 0.02 0.00 0.05 0.00 0.00 54.13 53.49 1j4t s LEU 31 Cb -0.25 -1.56 -0.04 0.00 -2.05 0.00 0.00 46.19 42.28 1j4t s LEU 31 CO -0.00 -1.36 -0.02 -0.94 -0.55 0.00 0.00 176.35 173.48 1j4t s SER 32 N -4.66 1.21 0.30 1.48 1.04 -0.97 -2.90 113.70 109.19 1j4t s SER 32 Ca 0.61 -1.12 -0.20 0.00 0.48 0.00 0.00 55.95 55.73 1j4t s SER 32 Cb -0.05 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.21 1j4t s SER 32 CO 0.38 -0.53 0.76 -0.72 0.98 0.00 0.00 173.24 174.12 1j4t s TYR 33 N -3.63 -0.10 0.00 5.02 1.13 -0.33 -0.14 117.35 119.29 1j4t s TYR 33 Ca 0.20 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 1j4t s TYR 33 Cb 0.06 0.74 0.00 0.00 -1.10 0.00 0.00 41.96 41.66 1j4t s TYR 33 CO 0.01 -1.30 0.00 1.63 -2.51 0.00 0.00 175.55 173.38 1j4t n LYS 34 N -0.48 0.00 -0.03 -3.49 5.02 -1.26 -0.92 118.16 117.00 1j4t n LYS 34 Ca -0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.19 1j4t n LYS 34 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.47 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j4t n GLU 35 N -1.43 0.65 -4.23 1.97 4.71 -1.26 -3.73 120.64 117.31 1j4t n GLU 35 Ca 0.00 0.15 -0.13 0.00 -0.01 0.00 0.00 57.16 57.16 1j4t n GLU 35 Cb 0.00 -1.70 -0.10 0.00 -1.01 0.00 0.00 31.44 28.63 1j4t n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4t s ALA 36 N -2.75 1.33 0.29 0.62 0.00 -1.24 -2.72 121.76 117.29 1j4t s ALA 36 Ca -0.06 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 49.91 1j4t s ALA 36 Cb 0.08 1.32 -0.09 0.00 0.00 0.00 0.00 23.12 24.43 1j4t s ALA 36 CO 0.83 -0.56 0.88 0.42 0.00 0.00 0.00 175.76 177.32 1j4t s ILE 37 N -4.04 4.31 0.00 0.00 -1.09 -0.23 -4.45 121.20 115.70 1j4t s ILE 37 Ca 0.39 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1j4t s ILE 37 Cb 0.07 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1j4t s ILE 37 CO 0.13 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1j4t n GLY 38 N 0.69 0.25 3.76 6.18 0.00 0.80 -3.16 105.19 113.70 1j4t n GLY 38 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.06 5.29 -0.12 1.61 0.01 -1.26 -3.06 113.70 116.12 1j4t s SER 39 Ca 0.00 2.32 -0.05 0.00 1.31 0.00 0.00 55.95 59.53 1j4t s SER 39 Cb 0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.69 1j4t s SER 39 CO 0.00 -1.52 0.26 0.12 0.41 0.00 0.00 173.24 172.52 1j4t s PHE 40 N -1.67 -0.39 0.14 2.43 5.36 0.99 -2.30 117.98 122.55 1j4t s PHE 40 Ca 0.76 0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 57.52 1j4t s PHE 40 Cb -0.28 0.03 -0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1j4t s PHE 40 CO 0.32 -0.29 0.28 -1.12 -1.46 0.00 0.00 175.22 172.95 1j4t s SER 41 N 1.70 0.02 -0.03 6.13 0.01 -1.18 -1.74 113.70 118.62 1j4t s SER 41 Ca -0.05 -0.73 -0.10 0.00 1.31 0.00 0.00 55.95 56.37 1j4t s SER 41 Cb -0.11 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1j4t s SER 41 CO -0.09 -0.85 0.23 -0.69 0.41 0.00 0.00 173.24 172.26 1j4t s VAL 42 N -3.91 0.05 -0.26 3.43 1.01 -1.26 -0.12 120.40 119.34 1j4t s VAL 42 Ca 0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1j4t s VAL 42 Cb 0.03 -0.48 0.04 0.00 0.00 0.00 0.00 36.38 35.97 1j4t s VAL 42 CO -0.05 -0.23 -0.07 -0.63 0.00 0.00 0.00 175.10 174.12 1j4t s ILE 43 N -0.95 2.70 0.70 2.22 1.01 0.80 -1.53 121.20 126.14 1j4t s ILE 43 Ca -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.33 1j4t s ILE 43 Cb -0.05 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.10 1j4t s ILE 43 CO 0.02 0.10 0.96 -0.31 0.00 0.00 0.00 174.94 175.71 1j4t s TYR 44 N 1.26 1.45 -0.30 3.97 2.02 -0.72 -1.17 117.35 123.87 1j4t s TYR 44 Ca -0.03 -0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 56.18 1j4t s TYR 44 Cb -0.18 -2.82 -0.00 0.00 -0.40 0.00 0.00 41.96 38.56 1j4t s TYR 44 CO -0.04 -1.63 0.12 0.34 -1.57 0.00 0.00 175.55 172.77 1j4t s ASP 45 N -4.74 5.36 -0.47 2.29 2.15 -0.18 -0.98 116.67 120.10 1j4t s ASP 45 Ca 0.66 -0.55 -0.06 0.00 0.43 0.00 0.00 52.55 53.03 1j4t s ASP 45 Cb -0.05 -1.95 0.12 0.00 -0.30 0.00 0.00 42.92 40.74 1j4t s ASP 45 CO 0.43 -0.18 0.30 -0.22 -0.17 0.00 0.00 175.17 175.34 1j4t s LEU 46 N 1.58 5.48 -1.31 -1.34 1.98 0.80 -1.90 118.68 123.95 1j4t s LEU 46 Ca 0.04 -2.10 -0.01 0.00 -2.89 0.00 0.00 54.13 49.17 1j4t s LEU 46 Cb -0.17 -1.92 -0.00 0.00 0.66 0.00 0.00 46.19 44.76 1j4t s LEU 46 CO 0.05 -0.59 0.64 0.59 -1.89 0.00 0.00 176.35 175.15 1j4t n ASN 47 N 4.57 -1.30 0.00 3.68 5.03 -1.26 -0.35 115.26 125.64 1j4t n ASN 47 Ca -0.03 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.54 1j4t n ASN 47 Cb 0.41 -3.79 0.00 0.00 -1.02 0.00 0.00 39.78 35.38 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 -1.68 0.70 2.96 7.41 0.00 -1.26 -4.98 105.19 108.34 1j4t n GLY 48 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1j4t n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j4t s ASP 49 N -2.47 2.40 0.55 1.61 2.15 0.53 -5.09 116.67 116.35 1j4t s ASP 49 Ca 0.00 -0.39 -0.20 0.00 0.43 0.00 0.00 52.55 52.39 1j4t s ASP 49 Cb 0.00 -1.00 -0.07 0.00 -0.30 0.00 0.00 42.92 41.55 1j4t s ASP 49 CO 0.00 -0.09 0.91 -0.81 -0.17 0.00 0.00 175.17 175.01 1j4t n PRO 50 N 4.83 0.96 -3.67 4.34 -0.04 -1.26 -0.14 135.00 140.02 1j4t n PRO 50 Ca -0.15 0.36 -0.17 0.00 -0.04 0.00 0.00 63.50 63.50 1j4t n PRO 50 Cb 0.50 -2.07 -0.16 0.00 -0.04 0.00 0.00 33.50 31.73 1j4t n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1j4t s PHE 51 N -1.49 -0.12 -0.19 0.54 5.36 -0.15 -4.70 117.98 117.24 1j4t s PHE 51 Ca 0.71 0.52 -0.29 0.00 -0.96 0.00 0.00 56.93 56.91 1j4t s PHE 51 Cb -0.46 -0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 41.89 1j4t s PHE 51 CO 0.51 -0.24 1.63 0.45 -1.46 0.00 0.00 175.22 176.11 1j4t s SER 52 N 2.19 6.41 0.98 6.13 0.15 -1.26 -1.75 113.70 126.55 1j4t s SER 52 Ca 0.03 1.73 -0.12 0.00 0.70 0.00 0.00 55.95 58.28 1j4t s SER 52 Cb -0.12 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.84 1j4t s SER 52 CO -0.05 -1.21 1.10 -0.83 1.20 0.00 0.00 173.24 173.44 1j4t s GLY 53 N 4.16 1.57 0.48 9.45 0.00 -0.58 -4.95 107.32 117.45 1j4t s GLY 53 Ca 0.72 -0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.86 1j4t s GLY 53 CO 0.29 0.24 1.19 -4.14 0.00 0.00 0.00 173.10 170.68 1j4t s PRO 54 N -4.99 3.63 0.19 2.90 0.02 -1.26 -4.66 135.00 130.82 1j4t s PRO 54 Ca 0.65 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1j4t s PRO 54 Cb -0.18 -2.34 -0.08 0.00 0.02 0.00 0.00 34.50 31.92 1j4t s PRO 54 CO 0.57 -0.67 1.03 0.15 -0.33 0.00 0.00 177.00 177.74 1j4t s LYS 55 N -2.79 4.69 -0.47 5.54 -0.14 -1.26 -4.66 119.74 120.66 1j4t s LYS 55 Ca 0.66 1.60 0.03 0.00 -1.36 0.00 0.00 55.97 56.90 1j4t s LYS 55 Cb -0.30 -3.29 0.13 0.00 -1.68 0.00 0.00 37.83 32.69 1j4t s LYS 55 CO 0.36 0.23 0.23 -1.01 -0.76 0.00 0.00 175.35 174.40 1j4t s HIS 56 N -0.51 2.67 -0.17 3.18 3.76 -0.71 -5.02 115.29 118.50 1j4t s HIS 56 Ca 0.46 -2.81 -0.09 0.00 -0.15 0.00 0.00 55.06 52.48 1j4t s HIS 56 Cb -0.27 -2.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.97 1j4t s HIS 56 CO 0.34 -0.78 0.14 0.99 -0.85 0.00 0.00 174.74 174.58 1j4t s THR 57 N 0.12 5.45 -0.07 1.30 2.01 -1.26 -0.01 115.64 123.17 1j4t s THR 57 Ca 0.17 0.21 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 1j4t s THR 57 Cb -0.25 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1j4t s THR 57 CO -0.01 0.51 0.29 -0.55 -0.69 0.00 0.00 174.62 174.17 1j4t s SER 58 N -0.22 6.59 0.26 3.53 0.15 -1.26 -4.84 113.70 117.91 1j4t s SER 58 Ca 0.11 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.62 1j4t s SER 58 Cb -0.11 -2.17 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 1j4t s SER 58 CO 0.01 0.31 1.33 0.11 1.20 0.00 0.00 173.24 176.20 1j4t h LYS 59 N 5.20 0.00 -6.45 5.44 1.57 -1.92 -3.42 116.57 116.99 1j4t h LYS 59 Ca -0.51 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.69 1j4t h LYS 59 Cb 1.21 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.70 1j4t h LYS 59 CO 0.63 0.38 -0.48 1.28 -0.57 0.00 0.00 179.45 180.69 1j4t n LEU 60 N -3.12 0.25 -3.57 2.94 4.77 -1.26 -4.80 117.00 112.20 1j4t n LEU 60 Ca 0.00 0.72 -0.40 0.00 -0.03 0.00 0.00 56.01 56.30 1j4t n LEU 60 Cb 0.72 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1j4t n LEU 60 CO 0.40 -3.27 2.74 -0.81 -1.33 0.00 0.00 177.39 175.13 1j4t n PRO 61 N 0.11 2.77 -2.95 3.23 -0.04 -1.26 -4.99 135.00 131.86 1j4t n PRO 61 Ca 0.11 -2.29 -0.19 0.00 -0.04 0.00 0.00 63.50 61.09 1j4t n PRO 61 Cb 0.48 -3.05 0.02 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.27 2.91 -0.08 0.54 2.02 -1.26 -5.03 117.35 119.72 1j4t s TYR 62 Ca 0.53 -0.18 -0.22 0.00 -0.37 0.00 0.00 57.07 56.83 1j4t s TYR 62 Cb 0.15 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1j4t s TYR 62 CO -0.04 -0.51 0.65 -1.59 -1.57 0.00 0.00 175.55 172.49 1j4t s LYS 63 N -4.48 4.41 0.54 -0.62 -2.85 -0.10 -4.67 119.74 111.97 1j4t s LYS 63 Ca 0.54 0.78 -0.13 0.00 -1.00 0.00 0.00 55.97 56.16 1j4t s LYS 63 Cb -0.10 -3.45 -0.06 0.00 -2.06 0.00 0.00 37.83 32.16 1j4t s LYS 63 CO 0.35 0.07 0.96 -0.80 0.10 0.00 0.00 175.35 176.03 1j4t s ASN 64 N 0.78 6.42 -0.04 0.03 -0.87 -1.26 -1.19 114.94 118.81 1j4t s ASN 64 Ca 0.35 1.41 -0.14 0.00 -1.57 0.00 0.00 52.86 52.90 1j4t s ASN 64 Cb -0.17 -2.45 0.02 0.00 -0.02 0.00 0.00 41.25 38.63 1j4t s ASN 64 CO 0.16 -0.68 0.31 0.54 -2.57 0.00 0.00 177.10 174.86 1j4t s VAL 65 N -2.83 0.05 -0.05 1.60 0.11 -1.14 -4.96 120.40 113.16 1j4t s VAL 65 Ca 0.55 -0.38 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 1j4t s VAL 65 Cb -0.10 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1j4t s VAL 65 CO 0.42 -0.21 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.22 1j4t s LYS 66 N -1.01 2.29 -0.31 1.54 1.02 -1.26 -3.66 119.74 118.35 1j4t s LYS 66 Ca -0.11 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 1j4t s LYS 66 Cb -0.05 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1j4t s LYS 66 CO 0.03 0.33 0.04 0.42 -0.92 0.00 0.00 175.35 175.25 1j4t s ILE 67 N -0.08 3.32 -0.31 2.17 1.01 -0.72 -4.98 121.20 121.61 1j4t s ILE 67 Ca -0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.26 1j4t s ILE 67 Cb -0.13 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1j4t s ILE 67 CO 0.03 -0.11 0.17 -1.61 0.00 0.00 0.00 174.94 173.41 1j4t s GLU 68 N 1.32 3.47 0.08 2.79 2.02 -1.26 -2.29 118.70 124.83 1j4t s GLU 68 Ca -0.03 -0.64 -0.19 0.00 0.02 0.00 0.00 54.97 54.13 1j4t s GLU 68 Cb -0.19 -3.60 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 1j4t s GLU 68 CO 0.00 -0.38 0.57 -0.51 0.02 0.00 0.00 175.26 174.97 1j4t s LEU 69 N 1.65 4.51 -1.37 1.80 1.43 -0.06 -4.99 118.68 121.66 1j4t s LEU 69 Ca 0.05 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 1j4t s LEU 69 Cb -0.17 -2.93 0.06 0.00 0.03 0.00 0.00 46.19 43.18 1j4t s LEU 69 CO 0.07 0.26 1.95 0.29 0.23 0.00 0.00 176.35 179.16 1j4t n LYS 70 N 1.64 3.06 -2.78 1.70 4.01 -1.26 -4.85 118.16 119.67 1j4t n LYS 70 Ca -0.10 -3.00 -0.35 0.00 -0.51 0.00 0.00 58.31 54.35 1j4t n LYS 70 Cb 0.51 -3.39 -0.07 0.00 -0.51 0.00 0.00 35.03 31.58 1j4t n LYS 70 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1j4t s PHE 71 N 3.65 3.51 -2.55 2.13 2.19 -1.26 -0.94 117.98 124.71 1j4t s PHE 71 Ca 0.50 1.70 0.26 0.00 0.33 0.00 0.00 56.93 59.72 1j4t s PHE 71 Cb 0.08 -2.91 0.56 0.00 -1.31 0.00 0.00 43.02 39.45 1j4t s PHE 71 CO 0.00 0.02 1.46 -0.35 1.83 0.00 0.00 175.22 178.19 1j4t n PRO 72 N 0.02 1.77 0.26 10.12 -0.04 -1.26 -4.90 135.00 140.98 1j4t n PRO 72 Ca 0.04 -1.28 0.17 0.00 -0.04 0.00 0.00 63.50 62.40 1j4t n PRO 72 Cb 0.52 -1.47 0.77 0.00 -0.04 0.00 0.00 33.50 33.27 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 3.13 0.00 -3.53 3.54 3.58 -1.96 -3.42 116.42 117.76 1j4t h ASP 73 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1j4t h ASP 73 Cb 0.72 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.45 1j4t h ASP 73 CO 0.00 0.00 -0.84 -0.70 -2.88 0.00 0.00 179.24 174.82 1j4t s GLU 74 N -3.71 2.09 0.06 0.28 2.12 -0.11 -4.88 118.70 114.54 1j4t s GLU 74 Ca 0.00 -0.59 -0.11 0.00 0.36 0.00 0.00 54.97 54.63 1j4t s GLU 74 Cb 0.10 -1.69 0.01 0.00 0.26 0.00 0.00 34.13 32.81 1j4t s GLU 74 CO 0.48 0.13 0.23 -0.59 -0.54 0.00 0.00 175.26 174.97 1j4t s PHE 75 N 0.40 0.03 0.09 5.30 -0.12 -1.26 -4.15 117.98 118.28 1j4t s PHE 75 Ca -0.13 -0.31 -0.32 0.00 -0.05 0.00 0.00 56.93 56.12 1j4t s PHE 75 Cb -0.15 0.01 -0.12 0.00 -0.63 0.00 0.00 43.02 42.13 1j4t s PHE 75 CO 0.05 -0.50 1.79 1.28 -0.05 0.00 0.00 175.22 177.79 1j4t n LEU 76 N 0.36 3.73 -0.21 -1.99 4.32 -1.26 -1.82 117.00 120.13 1j4t n LEU 76 Ca -0.17 1.01 0.03 0.00 -0.02 0.00 0.00 56.01 56.85 1j4t n LEU 76 Cb 0.60 -1.49 0.01 0.00 -1.62 0.00 0.00 43.42 40.93 1j4t n LEU 76 CO 0.22 0.03 0.27 -1.84 -1.22 0.00 0.00 177.39 174.85 1j4t n GLU 77 N 5.35 1.05 -3.69 3.23 0.28 -0.32 -4.73 120.64 121.82 1j4t n GLU 77 Ca 0.19 -0.70 -0.14 0.00 -0.16 0.00 0.00 57.16 56.35 1j4t n GLU 77 Cb 0.34 -1.05 -0.09 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.77 -0.55 -0.05 -1.84 0.15 -1.08 -1.47 113.70 108.09 1j4t s SER 78 Ca 0.07 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.73 1j4t s SER 78 Cb 0.05 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.45 1j4t s SER 78 CO 0.12 -0.20 0.08 -0.69 1.20 0.00 0.00 173.24 173.74 1j4t s VAL 79 N 0.20 -0.12 0.05 4.45 1.01 -1.14 -1.86 120.40 122.98 1j4t s VAL 79 Ca -0.01 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1j4t s VAL 79 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1j4t s VAL 79 CO 0.01 0.16 0.11 -0.94 0.00 0.00 0.00 175.10 174.44 1j4t s SER 80 N 1.98 0.17 0.00 3.32 1.04 -1.03 0.09 113.70 119.27 1j4t s SER 80 Ca 0.02 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1j4t s SER 80 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1j4t s SER 80 CO -0.04 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1j4t n GLY 81 N 0.59 1.43 2.89 7.32 0.00 -0.09 -0.38 105.19 116.95 1j4t n GLY 81 Ca -0.18 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.88 0.17 -0.15 1.61 2.02 0.91 -3.00 117.35 116.03 1j4t s TYR 82 Ca 0.00 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1j4t s TYR 82 Cb 0.00 -0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 1j4t s TYR 82 CO 0.00 -0.02 -0.14 -0.08 -1.57 0.00 0.00 175.55 173.74 1j4t s THR 83 N 0.11 1.60 0.02 -0.71 -1.32 -0.98 -0.26 115.64 114.09 1j4t s THR 83 Ca -0.01 -0.65 -0.17 0.00 -1.21 0.00 0.00 61.69 59.65 1j4t s THR 83 Cb -0.02 -1.50 0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1j4t s THR 83 CO -0.00 0.46 0.37 -0.83 -2.21 0.00 0.00 174.62 172.41 1j4t s GLY 84 N 1.48 -0.22 0.75 6.08 0.00 -1.13 -2.17 107.32 112.11 1j4t s GLY 84 Ca 0.05 0.30 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 1j4t s GLY 84 CO -0.11 0.06 1.14 2.56 0.00 0.00 0.00 173.10 176.75 1j4t s PRO 85 N -2.11 2.14 -0.18 2.90 0.04 -1.26 -1.68 135.00 134.85 1j4t s PRO 85 Ca -0.08 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 1j4t s PRO 85 Cb -0.02 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1j4t s PRO 85 CO -0.00 -1.78 -0.06 0.12 0.04 0.00 0.00 177.00 175.32 1j4t s PHE 86 N -2.41 2.94 -0.15 0.56 5.36 -1.25 -4.86 117.98 118.16 1j4t s PHE 86 Ca 0.68 -0.72 0.19 0.00 -0.96 0.00 0.00 56.93 56.12 1j4t s PHE 86 Cb -0.23 -2.01 -0.12 0.00 -0.34 0.00 0.00 43.02 40.32 1j4t s PHE 86 CO 0.49 -0.35 0.81 0.43 -1.46 0.00 0.00 175.22 175.13 1j4t n SER 87 N 4.21 0.72 -0.20 6.13 7.64 -1.26 -1.70 113.62 129.17 1j4t n SER 87 Ca -0.18 0.30 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 1j4t n SER 87 Cb 0.52 0.47 0.02 0.00 -1.01 0.00 0.00 64.21 64.21 1j4t n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j4t h ALA 88 N 1.62 0.74 -0.86 -0.43 0.00 -1.95 0.30 119.26 118.67 1j4t h ALA 88 Ca -0.12 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 53.98 1j4t h ALA 88 Cb 1.40 -0.22 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 1j4t h ALA 88 CO 0.03 0.42 0.08 1.47 0.00 0.00 0.00 179.25 181.25 1j4t n LEU 89 N -4.42 6.29 -2.51 0.00 -0.00 -1.25 -4.97 117.00 110.15 1j4t n LEU 89 Ca 0.03 -4.45 -0.08 0.00 -0.00 0.00 0.00 56.01 51.50 1j4t n LEU 89 Cb 0.22 -0.68 0.01 0.00 -0.00 0.00 0.00 43.42 42.97 1j4t n LEU 89 CO 0.40 1.73 -0.31 0.00 -0.00 0.00 0.00 177.39 179.21 1j4t n ALA 90 N -0.84 -1.76 -3.70 1.47 0.00 0.10 -4.98 120.51 110.80 1j4t n ALA 90 Ca 0.53 0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.86 1j4t n ALA 90 Cb 0.84 -0.70 -0.16 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.80 0.22 0.14 0.00 -1.32 -0.69 -5.02 115.64 108.17 1j4t s THR 91 Ca 0.08 0.07 -0.04 0.00 -1.21 0.00 0.00 61.69 60.59 1j4t s THR 91 Cb -0.01 -0.31 -0.17 0.00 -1.51 0.00 0.00 72.50 70.50 1j4t s THR 91 CO 0.18 0.16 1.32 1.55 -2.21 0.00 0.00 174.62 175.62 1j4t h PRO 92 N 7.31 0.41 -7.02 7.08 0.13 -1.94 -3.34 132.00 134.64 1j4t h PRO 92 Ca -0.40 -0.42 -0.45 0.00 -0.87 0.00 0.00 66.00 63.86 1j4t h PRO 92 Cb 1.13 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1j4t h PRO 92 CO 0.46 1.08 0.32 0.95 -0.23 0.00 0.00 178.00 180.59 1j4t s THR 93 N -3.32 4.39 0.77 1.56 -4.23 -1.26 -4.70 115.64 108.86 1j4t s THR 93 Ca -0.06 1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 61.79 1j4t s THR 93 Cb 0.09 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.32 1j4t s THR 93 CO 0.86 -0.26 0.95 -2.65 -0.54 0.00 0.00 174.62 172.98 1j4t n PRO 94 N -0.49 0.31 -4.12 3.99 -0.02 -1.26 -4.34 135.00 129.07 1j4t n PRO 94 Ca 0.06 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1j4t n PRO 94 Cb 0.54 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.98 0.01 -0.50 -1.45 1.01 -0.68 -2.56 120.40 114.25 1j4t s VAL 95 Ca 0.71 -1.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 1j4t s VAL 95 Cb -0.32 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1j4t s VAL 95 CO 0.53 -0.04 0.89 0.68 0.00 0.00 0.00 175.10 177.16 1j4t s VAL 96 N -4.10 4.48 -0.01 2.92 -7.23 -0.91 -2.84 120.40 112.71 1j4t s VAL 96 Ca 0.32 0.40 -0.24 0.00 -1.81 0.00 0.00 61.98 60.65 1j4t s VAL 96 Cb 0.04 -4.46 -0.17 0.00 0.56 0.00 0.00 36.38 32.36 1j4t s VAL 96 CO 0.10 -0.94 1.13 0.03 -0.31 0.00 0.00 175.10 175.10 1j4t h ARG 97 N 9.17 -0.30 -5.32 4.82 2.47 -0.90 -0.60 114.38 123.71 1j4t h ARG 97 Ca -0.25 0.02 -0.40 0.00 -1.26 0.00 0.00 59.98 58.09 1j4t h ARG 97 Cb 1.08 0.07 -0.19 0.00 -1.65 0.00 0.00 29.97 29.27 1j4t h ARG 97 CO 1.04 0.06 -0.76 0.45 0.56 0.00 0.00 179.97 181.32 1j4t s SER 98 N -5.25 1.80 -0.06 7.04 0.15 -1.13 -2.86 113.70 113.40 1j4t s SER 98 Ca -0.14 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 55.74 1j4t s SER 98 Cb 0.02 -0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1j4t s SER 98 CO 0.53 -0.14 0.11 -0.22 1.20 0.00 0.00 173.24 174.73 1j4t s LEU 99 N -2.22 0.64 -0.15 3.45 2.96 -1.19 -0.06 118.68 122.11 1j4t s LEU 99 Ca 0.05 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1j4t s LEU 99 Cb -0.06 0.21 0.04 0.00 0.50 0.00 0.00 46.19 46.88 1j4t s LEU 99 CO 0.02 -0.17 -0.03 0.28 -1.32 0.00 0.00 176.35 175.14 1j4t s THR 100 N 1.39 0.85 -0.01 3.68 -1.32 0.49 -2.48 115.64 118.23 1j4t s THR 100 Ca -0.06 -0.44 -0.16 0.00 -1.21 0.00 0.00 61.69 59.82 1j4t s THR 100 Cb -0.12 -1.07 -0.06 0.00 -1.51 0.00 0.00 72.50 69.75 1j4t s THR 100 CO -0.05 0.11 0.43 -0.36 -2.21 0.00 0.00 174.62 172.54 1j4t s PHE 101 N 1.75 3.70 -0.01 9.09 0.08 -0.43 -2.48 117.98 129.69 1j4t s PHE 101 Ca 0.02 1.01 0.06 0.00 0.12 0.00 0.00 56.93 58.13 1j4t s PHE 101 Cb -0.15 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1j4t s PHE 101 CO -0.07 0.56 -0.18 0.21 -0.10 0.00 0.00 175.22 175.64 1j4t s LYS 102 N -0.81 1.47 0.33 0.44 2.47 -0.77 -0.31 119.74 122.55 1j4t s LYS 102 Ca 0.24 -0.65 0.09 0.00 -1.56 0.00 0.00 55.97 54.09 1j4t s LYS 102 Cb -0.17 -1.42 -0.04 0.00 -1.46 0.00 0.00 37.83 34.74 1j4t s LYS 102 CO 0.13 0.39 0.10 0.95 0.16 0.00 0.00 175.35 177.08 1j4t s THR 103 N -0.43 3.02 -0.24 3.43 -4.23 -0.80 -1.17 115.64 115.21 1j4t s THR 103 Ca 0.07 -1.78 0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1j4t s THR 103 Cb -0.07 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1j4t s THR 103 CO -0.01 -0.21 1.77 -0.55 -0.54 0.00 0.00 174.62 175.08 1j4t h ASN 104 N 1.64 0.00 0.00 3.99 -0.00 -1.68 -2.55 115.58 116.99 1j4t h ASN 104 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 1j4t h ASN 104 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 1j4t h ASN 104 CO 0.64 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 178.36 1j4t n LYS 105 N -2.39 1.00 -0.76 4.14 4.01 -1.26 -4.89 118.16 118.00 1j4t n LYS 105 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1j4t n LYS 105 Cb 0.16 -1.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.63 1j4t n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j4t n GLY 106 N 0.44 1.40 3.77 0.72 0.00 -0.96 -5.03 105.19 105.53 1j4t n GLY 106 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.03 4.59 -0.05 1.61 0.52 -1.25 -4.92 118.95 119.42 1j4t s ARG 107 Ca 0.00 1.19 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 1j4t s ARG 107 Cb 0.00 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1j4t s ARG 107 CO 0.00 0.53 -0.17 -0.08 0.02 0.00 0.00 175.30 175.61 1j4t s THR 108 N -1.03 1.44 -0.08 0.02 -1.32 -1.26 -1.91 115.64 111.50 1j4t s THR 108 Ca 0.37 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1j4t s THR 108 Cb -0.23 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.48 1j4t s THR 108 CO 0.27 0.42 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.63 1j4t s PHE 109 N 0.19 2.84 0.00 9.09 0.40 0.58 -4.98 117.98 126.10 1j4t s PHE 109 Ca -0.07 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1j4t s PHE 109 Cb -0.13 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1j4t s PHE 109 CO 0.03 0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.51 1j4t n GLY 110 N 2.62 -2.24 3.60 4.36 0.00 -1.26 -1.31 105.19 110.96 1j4t n GLY 110 Ca -0.18 -1.77 -0.49 0.00 0.00 0.00 0.00 46.02 43.58 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 111 N -0.12 1.36 -3.99 1.61 -0.04 -1.26 -4.91 135.00 127.65 1j4t n PRO 111 Ca 0.00 0.49 -0.31 0.00 -0.04 0.00 0.00 63.50 63.64 1j4t n PRO 111 Cb 0.00 -2.08 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 112 N 0.14 2.97 0.00 0.54 2.02 -1.04 -4.98 117.35 117.01 1j4t s TYR 112 Ca 0.76 -2.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.22 1j4t s TYR 112 Cb -0.84 -2.02 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1j4t s TYR 112 CO 0.49 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1j4t n GLY 113 N 4.50 -1.22 3.71 0.71 0.00 -1.25 -3.17 105.19 108.47 1j4t n GLY 113 Ca -0.08 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.69 7.28 -1.47 1.61 1.11 -1.10 -4.74 116.67 118.66 1j4t s ASP 114 Ca 0.00 1.55 -0.09 0.00 0.18 0.00 0.00 52.55 54.18 1j4t s ASP 114 Cb 0.00 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.48 1j4t s ASP 114 CO 0.00 -0.23 2.56 -0.62 1.18 0.00 0.00 175.17 178.06 1j4t n GLU 115 N 3.87 3.83 -4.78 8.23 1.02 -1.26 -3.68 120.64 127.87 1j4t n GLU 115 Ca 0.04 -2.79 -0.26 0.00 -0.02 0.00 0.00 57.16 54.13 1j4t n GLU 115 Cb 0.51 -2.84 -0.16 0.00 -0.02 0.00 0.00 31.44 28.93 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 1.13 1.94 0.00 3.49 -1.05 -1.26 -5.06 118.70 117.90 1j4t s GLU 116 Ca 0.58 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1j4t s GLU 116 Cb 0.17 -1.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 1j4t s GLU 116 CO -0.07 0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.68 1j4t n GLY 117 N 3.52 0.35 3.61 -3.83 0.00 -1.26 -4.28 105.19 103.29 1j4t n GLY 117 Ca -0.20 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.35 5.04 1.13 2.61 -1.32 -0.92 -4.86 115.64 115.98 1j4t s THR 118 Ca 0.00 0.83 -0.12 0.00 -1.21 0.00 0.00 61.69 61.19 1j4t s THR 118 Cb 0.00 -3.87 0.27 0.00 -1.51 0.00 0.00 72.50 67.39 1j4t s THR 118 CO 0.00 0.02 1.04 -0.47 -2.21 0.00 0.00 174.62 173.01 1j4t s TYR 119 N 2.37 1.33 -0.30 9.09 5.04 -1.26 -2.33 117.35 131.29 1j4t s TYR 119 Ca 0.22 1.31 -0.13 0.00 -2.44 0.00 0.00 57.07 56.03 1j4t s TYR 119 Cb -0.15 -3.13 0.13 0.00 0.35 0.00 0.00 41.96 39.15 1j4t s TYR 119 CO 0.10 -3.78 0.76 -0.59 -1.34 0.00 0.00 175.55 170.70 1j4t s PHE 120 N -2.46 -1.09 -0.07 4.97 -0.12 -1.16 -4.83 117.98 113.22 1j4t s PHE 120 Ca 0.68 1.96 -0.02 0.00 -0.05 0.00 0.00 56.93 59.50 1j4t s PHE 120 Cb -0.25 0.65 0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1j4t s PHE 120 CO 0.64 -0.54 0.03 1.21 -0.05 0.00 0.00 175.22 176.50 1j4t s ASN 121 N 2.43 1.52 -0.60 1.98 2.47 -1.26 -0.92 114.94 120.56 1j4t s ASN 121 Ca -0.06 -0.08 0.02 0.00 0.42 0.00 0.00 52.86 53.16 1j4t s ASN 121 Cb -0.09 -0.34 0.15 0.00 -1.45 0.00 0.00 41.25 39.52 1j4t s ASN 121 CO -0.19 -0.22 0.38 -0.22 -3.72 0.00 0.00 177.10 173.13 1j4t s LEU 122 N 2.04 4.72 0.21 3.21 2.96 0.11 -4.97 118.68 126.96 1j4t s LEU 122 Ca 0.05 -3.14 -0.28 0.00 -0.22 0.00 0.00 54.13 50.54 1j4t s LEU 122 Cb -0.12 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.76 1j4t s LEU 122 CO -0.05 -0.24 0.86 -2.16 -1.32 0.00 0.00 176.35 173.44 1j4t s PRO 123 N -0.47 4.71 -0.29 0.98 0.04 -1.26 -2.88 135.00 135.83 1j4t s PRO 123 Ca 0.19 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 1j4t s PRO 123 Cb -0.20 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1j4t s PRO 123 CO -0.04 0.54 0.08 0.42 0.04 0.00 0.00 177.00 178.04 1j4t s ILE 124 N -1.18 4.06 -0.05 0.56 1.01 -0.54 -4.98 121.20 120.07 1j4t s ILE 124 Ca 0.39 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.51 1j4t s ILE 124 Cb -0.24 -3.06 -0.24 0.00 0.01 0.00 0.00 42.46 38.92 1j4t s ILE 124 CO 0.29 0.12 0.63 -0.08 0.00 0.00 0.00 174.94 175.90 1j4t h GLU 125 N 8.24 0.10 -1.63 2.79 4.81 -1.96 -3.46 114.58 123.47 1j4t h GLU 125 Ca -0.33 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1j4t h GLU 125 Cb 1.14 0.06 -0.21 0.00 0.63 0.00 0.00 28.75 30.36 1j4t h GLU 125 CO 0.60 0.77 -0.22 1.21 -0.73 0.00 0.00 179.01 180.64 1j4t s ASN 126 N -6.46 -1.12 0.00 1.04 2.47 -1.26 -5.14 114.94 104.47 1j4t s ASN 126 Ca -0.10 1.20 0.00 0.00 0.42 0.00 0.00 52.86 54.38 1j4t s ASN 126 Cb 0.08 2.13 0.00 0.00 -1.45 0.00 0.00 41.25 42.01 1j4t s ASN 126 CO 0.81 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.56 1j4t n GLY 127 N 5.43 2.92 3.35 1.21 0.00 -1.26 -5.07 105.19 111.77 1j4t n GLY 127 Ca -0.07 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 1j4t n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4t s LEU 128 N 0.00 2.54 -0.21 0.99 2.01 -0.33 -4.98 118.68 118.70 1j4t s LEU 128 Ca 0.00 -1.04 -0.14 0.00 0.01 0.00 0.00 54.13 52.96 1j4t s LEU 128 Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 46.19 45.51 1j4t s LEU 128 CO 0.00 -0.20 0.31 -0.63 1.01 0.00 0.00 176.35 176.84 1j4t s ILE 129 N -3.00 5.26 -0.06 -0.59 1.01 -1.26 -2.56 121.20 120.01 1j4t s ILE 129 Ca 0.23 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.49 1j4t s ILE 129 Cb 0.00 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.95 1j4t s ILE 129 CO 0.07 0.30 1.05 0.52 0.00 0.00 0.00 174.94 176.88 1j4t n VAL 130 N 4.21 1.32 0.00 2.92 0.31 0.16 -4.46 118.33 122.79 1j4t n VAL 130 Ca -0.11 -1.48 0.00 0.00 -0.01 0.00 0.00 64.34 62.74 1j4t n VAL 130 Cb 0.51 0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 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 -0.87 2.67 3.18 2.92 0.00 -1.21 -1.95 105.19 109.93 1j4t n GLY 131 Ca 0.07 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 2.06 0.06 1.61 0.08 -1.26 -0.30 117.98 118.22 1j4t s PHE 132 Ca 0.00 -0.65 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1j4t s PHE 132 Cb 0.00 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1j4t s PHE 132 CO 0.00 -0.23 -0.13 0.21 -0.10 0.00 0.00 175.22 174.97 1j4t s LYS 133 N 0.07 2.16 0.00 0.44 2.20 -1.20 -1.45 119.74 121.95 1j4t s LYS 133 Ca -0.07 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 1j4t s LYS 133 Cb -0.14 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1j4t s LYS 133 CO 0.04 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 1j4t n GLY 134 N 1.24 3.76 3.64 5.54 0.00 -0.92 0.11 105.19 118.56 1j4t n GLY 134 Ca -0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 1.94 0.52 0.00 1.61 0.52 -1.16 -3.22 118.95 119.16 1j4t s ARG 135 Ca 0.00 0.88 0.01 0.00 -0.52 0.00 0.00 55.73 56.11 1j4t s ARG 135 Cb 0.00 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 1j4t s ARG 135 CO 0.00 -0.11 -0.05 0.99 0.02 0.00 0.00 175.30 176.15 1j4t s THR 136 N 1.42 0.37 0.00 0.02 2.01 -1.04 -1.01 115.64 117.41 1j4t s THR 136 Ca -0.09 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1j4t s THR 136 Cb -0.04 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1j4t s THR 136 CO -0.16 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1j4t n GLY 137 N 2.77 0.28 0.10 4.40 0.00 -1.26 -0.17 105.19 111.30 1j4t n GLY 137 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.45 0.26 -0.94 1.61 8.00 -1.26 -4.92 116.55 118.84 1j4t n ASP 138 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1j4t n ASP 138 Cb 0.00 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 -2.83 0.00 -4.60 0.64 -0.00 -1.26 -4.05 117.00 104.89 1j4t n LEU 139 Ca -0.29 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.29 1j4t n LEU 139 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.53 1j4t n LEU 139 CO 0.43 0.00 1.07 -0.22 -0.00 0.00 0.00 177.39 178.67 1j4t s LEU 140 N 0.00 3.66 -0.10 1.47 2.96 -1.17 -4.30 118.68 121.19 1j4t s LEU 140 Ca 0.00 0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 54.27 1j4t s LEU 140 Cb 0.00 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.87 1j4t s LEU 140 CO 0.00 -1.25 0.84 0.44 -1.32 0.00 0.00 176.35 175.06 1j4t h ASP 141 N 9.43 0.17 -3.34 3.68 5.19 -1.39 -2.41 116.42 127.75 1j4t h ASP 141 Ca -0.24 -0.96 -0.44 0.00 -0.62 0.00 0.00 57.03 54.77 1j4t h ASP 141 Cb 1.07 -0.05 -0.14 0.00 0.18 0.00 0.00 39.33 40.39 1j4t h ASP 141 CO 1.11 1.11 -0.66 0.00 -3.12 0.00 0.00 179.24 177.68 1j4t s ALA 142 N -2.39 2.12 -0.12 3.45 0.00 -1.16 -2.24 121.76 121.42 1j4t s ALA 142 Ca -0.17 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 49.88 1j4t s ALA 142 Cb -0.01 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.50 1j4t s ALA 142 CO 0.74 -0.16 0.28 -1.50 0.00 0.00 0.00 175.76 175.12 1j4t s ILE 143 N -3.20 -0.10 0.00 0.00 2.07 0.31 -2.97 121.20 117.31 1j4t s ILE 143 Ca 0.29 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1j4t s ILE 143 Cb 0.05 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.20 1j4t s ILE 143 CO 0.11 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1j4t n GLY 144 N 4.42 5.61 3.64 1.50 0.00 0.30 -0.71 105.19 119.96 1j4t n GLY 144 Ca -0.22 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.33 -0.00 -0.13 -0.61 1.09 -1.18 -3.28 121.20 116.76 1j4t s ILE 145 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 60.65 59.45 1j4t s ILE 145 Cb 0.00 -1.00 -0.05 0.00 -1.06 0.00 0.00 42.46 40.36 1j4t s ILE 145 CO 0.00 0.00 0.21 -1.00 -0.10 0.00 0.00 174.94 174.05 1j4t s HIS 146 N 1.28 3.55 0.07 3.97 3.76 0.59 -1.01 115.29 127.50 1j4t s HIS 146 Ca -0.07 0.58 0.07 0.00 -0.15 0.00 0.00 55.06 55.48 1j4t s HIS 146 Cb -0.05 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 1j4t s HIS 146 CO -0.14 0.52 -0.18 -1.64 -0.85 0.00 0.00 174.74 172.45 1j4t s MET 147 N -0.41 1.06 0.31 1.40 -1.94 -0.39 -0.67 119.30 118.66 1j4t s MET 147 Ca 0.15 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.15 1j4t s MET 147 Cb -0.13 -1.18 -0.00 0.00 2.01 0.00 0.00 34.83 35.52 1j4t s MET 147 CO 0.04 0.28 0.38 0.45 -0.01 0.00 0.00 175.02 176.16 1j4t n SER 148 N 1.42 -1.04 0.00 3.03 2.88 -1.06 -2.56 113.62 116.29 1j4t n SER 148 Ca -0.19 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 1j4t n SER 148 Cb 0.54 2.04 0.00 0.00 -0.75 0.00 0.00 64.21 66.03 1j4t n SER 148 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70