#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsn h LEU 2 N 0.00 0.08 -1.94 0.99 3.38 -1.93 -2.07 115.31 113.81 1jsn h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jsn h LEU 2 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jsn h LEU 2 CO 0.00 0.04 0.00 0.49 0.09 0.00 0.00 178.44 179.06 1jsn n PHE 3 N -4.42 0.11 0.00 1.13 3.01 -1.26 -4.99 117.46 111.03 1jsn n PHE 3 Ca 0.08 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1jsn n PHE 3 Cb 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1jsn n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jsn n GLY 4 N 1.23 3.00 0.00 1.37 0.00 -0.78 -4.91 105.19 105.10 1jsn n GLY 4 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jsn n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsn n ALA 5 N -0.50 0.00 -1.68 4.61 0.00 -1.26 0.27 120.51 121.95 1jsn n ALA 5 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1jsn n ALA 5 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1jsn n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jsn n ILE 6 N -0.40 0.29 -3.75 0.00 5.41 -1.26 -0.72 119.36 118.92 1jsn n ILE 6 Ca 0.00 -0.05 -0.25 0.00 1.00 0.00 0.00 62.75 63.45 1jsn n ILE 6 Cb 0.00 -1.83 0.04 0.00 -0.71 0.00 0.00 39.64 37.14 1jsn n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jsn n ALA 7 N 5.09 -1.57 -2.00 -1.39 0.00 -1.20 -1.16 120.51 118.28 1jsn n ALA 7 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1jsn n ALA 7 Cb 0.32 -3.76 0.00 0.00 0.00 0.00 0.00 19.45 16.01 1jsn n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsn n GLY 8 N -1.67 2.93 0.19 0.00 0.00 0.10 -4.22 105.19 102.52 1jsn n GLY 8 Ca -0.09 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1jsn n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1jsn h PHE 9 N 0.00 0.00 -3.36 1.61 -5.15 -0.14 -3.14 116.94 106.76 1jsn h PHE 9 Ca 0.00 0.00 -0.66 0.00 -0.20 0.00 0.00 57.97 57.11 1jsn h PHE 9 Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 35.95 35.78 1jsn h PHE 9 CO 0.00 0.00 -0.50 0.42 -2.00 0.00 0.00 178.31 176.23 1jsn s ILE 10 N -3.52 3.12 0.29 0.88 1.01 -1.10 -4.25 121.20 117.62 1jsn s ILE 10 Ca 0.01 -3.48 0.04 0.00 0.00 0.00 0.00 60.65 57.22 1jsn s ILE 10 Cb 0.09 -3.07 0.38 0.00 0.01 0.00 0.00 42.46 39.87 1jsn s ILE 10 CO 0.40 -0.89 1.44 -0.62 0.00 0.00 0.00 174.94 175.27 1jsn n GLU 11 N 2.89 -0.07 -4.21 2.79 4.71 -1.19 -3.25 120.64 122.31 1jsn n GLU 11 Ca 0.10 1.36 -0.12 0.00 -0.01 0.00 0.00 57.16 58.49 1jsn n GLU 11 Cb 0.35 -2.20 -0.10 0.00 -1.01 0.00 0.00 31.44 28.48 1jsn n GLU 11 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1jsn s GLY 12 N -4.30 1.43 0.39 0.62 0.00 -1.26 -4.34 107.32 99.85 1jsn s GLY 12 Ca -0.11 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 42.89 1jsn s GLY 12 CO 0.72 -1.42 0.63 -0.32 0.00 0.00 0.00 173.10 172.70 1jsn s GLY 13 N -3.17 1.39 -0.53 0.20 0.00 -1.26 -4.94 107.32 99.01 1jsn s GLY 13 Ca 0.37 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 44.12 1jsn s GLY 13 CO 0.11 -0.68 0.69 -0.98 0.00 0.00 0.00 173.10 172.24 1jsn s TRP 14 N -2.46 2.99 -1.82 1.90 0.51 -1.26 -4.88 118.94 113.93 1jsn s TRP 14 Ca 0.42 -0.56 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 1jsn s TRP 14 Cb -0.10 -3.72 0.00 0.00 -0.81 0.00 0.00 33.47 28.84 1jsn s TRP 14 CO 0.39 -1.15 0.39 1.04 -0.51 0.00 0.00 176.95 177.11 1jsn n GLN 15 N 6.43 0.00 -1.24 4.98 1.13 -1.26 -2.39 117.38 125.02 1jsn n GLN 15 Ca -0.06 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.04 1jsn n GLN 15 Cb 0.45 -1.43 0.09 0.00 0.11 0.00 0.00 30.24 29.46 1jsn n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jsn n GLY 16 N -0.88 2.64 2.47 1.08 0.00 -1.26 -4.85 105.19 104.39 1jsn n GLY 16 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1jsn n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jsn n MET 17 N -0.15 3.32 0.20 1.61 0.00 -1.00 -4.86 117.12 116.23 1jsn n MET 17 Ca 0.12 -4.25 0.02 0.00 -0.00 0.00 0.00 57.70 53.59 1jsn n MET 17 Cb 0.97 -2.26 0.10 0.00 0.00 0.00 0.00 33.22 32.03 1jsn n MET 17 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 1jsn h VAL 18 N 2.36 0.00 -0.64 1.12 3.04 -1.89 -2.47 116.25 117.78 1jsn h VAL 18 Ca 0.37 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.04 1jsn h VAL 18 Cb 0.87 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.20 1jsn h VAL 18 CO 0.96 0.00 0.31 -0.78 -1.01 0.00 0.00 177.57 177.06 1jsn h ASP 19 N 0.00 0.81 -0.14 3.17 3.58 -1.99 -3.48 116.42 118.37 1jsn h ASP 19 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1jsn h ASP 19 Cb 1.39 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1jsn h ASP 19 CO 0.00 0.68 0.00 0.61 -2.88 0.00 0.00 179.24 177.65 1jsn n GLY 20 N -1.15 1.39 0.14 -0.78 0.00 -0.93 -4.92 105.19 98.94 1jsn n GLY 20 Ca 0.06 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1jsn n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jsn h TRP 21 N 0.35 0.80 -4.02 1.61 6.55 -1.90 -3.47 115.95 115.88 1jsn h TRP 21 Ca 0.00 -0.59 -0.47 0.00 0.95 0.00 0.00 58.89 58.79 1jsn h TRP 21 Cb 0.00 -0.03 -0.24 0.00 -0.86 0.00 0.00 29.16 28.03 1jsn h TRP 21 CO 0.00 1.64 -0.80 0.71 -1.05 0.00 0.00 178.44 178.94 1jsn s TYR 22 N -2.59 1.37 0.00 0.49 1.51 -1.26 -5.07 117.35 111.80 1jsn s TYR 22 Ca -0.13 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1jsn s TYR 22 Cb 0.05 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 1jsn s TYR 22 CO 0.88 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 175.80 1jsn n GLY 23 N 1.64 1.17 3.64 0.71 0.00 -1.26 -0.11 105.19 110.98 1jsn n GLY 23 Ca -0.19 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1jsn n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jsn s TYR 24 N -3.39 2.54 -0.41 1.61 1.51 0.42 -4.91 117.35 114.73 1jsn s TYR 24 Ca 0.00 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1jsn s TYR 24 Cb 0.00 -1.63 0.16 0.00 -0.11 0.00 0.00 41.96 40.39 1jsn s TYR 24 CO 0.00 0.42 0.41 -1.58 -1.11 0.00 0.00 175.55 173.69 1jsn s HIS 25 N -2.57 -0.01 0.64 2.71 2.46 -1.25 -1.31 115.29 115.95 1jsn s HIS 25 Ca 0.36 -1.31 -0.11 0.00 0.47 0.00 0.00 55.06 54.47 1jsn s HIS 25 Cb 0.03 -0.48 -0.03 0.00 -0.13 0.00 0.00 32.58 31.97 1jsn s HIS 25 CO 0.20 -0.97 1.04 -3.38 -2.47 0.00 0.00 174.74 169.16 1jsn s HIS 26 N 0.89 3.45 -0.22 3.88 -3.43 -0.87 -4.84 115.29 114.14 1jsn s HIS 26 Ca 0.24 1.34 -0.06 0.00 -0.80 0.00 0.00 55.06 55.79 1jsn s HIS 26 Cb -0.08 -2.78 0.11 0.00 -1.43 0.00 0.00 32.58 28.40 1jsn s HIS 26 CO -0.08 -0.85 0.43 0.45 -2.00 0.00 0.00 174.74 172.70 1jsn s SER 27 N -3.97 -0.26 0.34 7.38 0.15 -1.26 -2.19 113.70 113.90 1jsn s SER 27 Ca 0.56 0.84 -0.13 0.00 0.70 0.00 0.00 55.95 57.92 1jsn s SER 27 Cb -0.12 1.40 0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1jsn s SER 27 CO 0.53 -0.25 0.67 0.54 1.20 0.00 0.00 173.24 175.92 1jsn s ASN 28 N 2.63 0.15 0.14 5.45 2.20 -0.97 -5.00 114.94 119.55 1jsn s ASN 28 Ca 0.03 -1.10 -0.29 0.00 -0.94 0.00 0.00 52.86 50.56 1jsn s ASN 28 Cb -0.13 0.75 -0.07 0.00 -2.00 0.00 0.00 41.25 39.81 1jsn s ASN 28 CO -0.14 -1.47 1.49 1.05 -2.94 0.00 0.00 177.10 175.09 1jsn h GLU 29 N 2.06 -0.05 -0.96 3.55 -0.00 -2.01 0.24 114.58 117.40 1jsn h GLU 29 Ca -0.28 0.00 0.26 0.00 -0.00 0.00 0.00 59.36 59.34 1jsn h GLU 29 Cb 1.25 0.01 -0.18 0.00 -0.00 0.00 0.00 28.75 29.83 1jsn h GLU 29 CO 0.36 -0.03 0.06 1.96 -0.00 0.00 0.00 179.01 181.36 1jsn h GLN 30 N -0.05 0.03 0.00 1.06 4.20 -1.97 -3.46 115.11 114.92 1jsn h GLN 30 Ca 0.14 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1jsn h GLN 30 Cb 0.40 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1jsn h GLN 30 CO -0.82 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 177.77 1jsn n GLY 31 N -1.47 -1.28 3.36 3.46 0.00 0.83 -5.16 105.19 104.93 1jsn n GLY 31 Ca 0.23 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1jsn n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jsn s SER 32 N -1.64 2.75 0.00 1.61 1.04 -1.26 -2.28 113.70 113.92 1jsn s SER 32 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1jsn s SER 32 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1jsn s SER 32 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1jsn n GLY 33 N -0.15 0.62 3.93 7.32 0.00 -0.93 -5.00 105.19 110.98 1jsn n GLY 33 Ca -0.10 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1jsn n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jsn s TYR 34 N -2.00 3.49 -0.30 1.61 1.51 -1.26 -2.05 117.35 118.35 1jsn s TYR 34 Ca 0.00 0.27 -0.08 0.00 -1.01 0.00 0.00 57.07 56.25 1jsn s TYR 34 Cb 0.00 -1.79 0.15 0.00 -0.11 0.00 0.00 41.96 40.22 1jsn s TYR 34 CO 0.00 0.46 0.67 0.00 -1.11 0.00 0.00 175.55 175.58 1jsn s ALA 35 N -1.75 -2.20 0.87 3.71 0.00 -0.42 -4.97 121.76 117.00 1jsn s ALA 35 Ca 0.37 2.16 -0.10 0.00 0.00 0.00 0.00 51.96 54.38 1jsn s ALA 35 Cb -0.11 -1.93 0.12 0.00 0.00 0.00 0.00 23.12 21.19 1jsn s ALA 35 CO 0.28 -1.06 1.12 0.00 0.00 0.00 0.00 175.76 176.10 1jsn s ALA 36 N 2.86 1.68 -0.64 0.00 0.00 -1.26 -0.44 121.76 123.96 1jsn s ALA 36 Ca 0.02 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 1jsn s ALA 36 Cb -0.12 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 19.79 1jsn s ALA 36 CO -0.19 -2.44 0.49 0.34 0.00 0.00 0.00 175.76 173.96 1jsn s ASP 37 N -2.95 5.63 0.24 0.00 2.15 0.84 -4.79 116.67 117.79 1jsn s ASP 37 Ca 0.65 -2.66 -0.14 0.00 0.43 0.00 0.00 52.55 50.83 1jsn s ASP 37 Cb -0.21 -1.95 0.31 0.00 -0.30 0.00 0.00 42.92 40.77 1jsn s ASP 37 CO 0.57 -0.46 1.57 0.11 -0.17 0.00 0.00 175.17 176.79 1jsn h LYS 38 N 7.43 -0.02 -0.11 4.34 6.56 -1.94 -2.06 116.57 130.76 1jsn h LYS 38 Ca -0.02 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1jsn h LYS 38 Cb 0.99 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.59 1jsn h LYS 38 CO 0.74 -0.02 -0.48 0.93 -2.06 0.00 0.00 179.45 178.57 1jsn h GLU 39 N -0.02 -0.53 0.15 3.15 5.08 -1.98 -0.77 114.58 119.66 1jsn h GLU 39 Ca 0.38 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1jsn h GLU 39 Cb 0.63 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jsn h GLU 39 CO -0.92 -0.35 -0.07 0.66 -1.00 0.00 0.00 179.01 177.32 1jsn h SER 40 N -0.55 -0.17 -1.00 1.42 4.64 -1.92 -1.64 113.55 114.33 1jsn h SER 40 Ca 0.05 -0.37 0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1jsn h SER 40 Cb 0.66 0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 62.68 1jsn h SER 40 CO -0.41 0.37 0.59 0.74 -0.87 0.00 0.00 176.83 177.26 1jsn h THR 41 N -0.82 0.62 -0.03 2.95 2.02 -1.42 0.20 112.91 116.43 1jsn h THR 41 Ca -0.02 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1jsn h THR 41 Cb 0.53 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1jsn h THR 41 CO 0.03 0.12 -0.08 -0.61 0.37 0.00 0.00 175.52 175.36 1jsn h GLN 42 N 0.67 0.11 -0.28 6.66 5.75 -1.19 -0.21 115.11 126.62 1jsn h GLN 42 Ca 0.61 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 59.12 1jsn h GLN 42 Cb 1.05 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1jsn h GLN 42 CO -0.43 0.67 0.24 -0.22 -2.65 0.00 0.00 178.83 176.44 1jsn h LYS 43 N -0.44 0.00 0.07 1.69 1.63 -0.20 0.20 116.57 119.53 1jsn h LYS 43 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jsn h LYS 43 Cb 0.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1jsn h LYS 43 CO 0.02 0.00 -0.03 0.00 -3.45 0.00 0.00 179.45 175.98 1jsn h ALA 44 N 1.78 -0.09 -0.83 5.00 0.00 -0.50 -2.51 119.26 122.11 1jsn h ALA 44 Ca 0.13 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1jsn h ALA 44 Cb 0.62 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 1jsn h ALA 44 CO -0.00 -0.13 0.25 0.82 0.00 0.00 0.00 179.25 180.19 1jsn h ILE 45 N -0.92 0.44 0.53 0.00 2.04 0.67 0.73 117.51 121.01 1jsn h ILE 45 Ca -0.01 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1jsn h ILE 45 Cb 0.58 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1jsn h ILE 45 CO 0.01 0.05 -0.26 0.44 0.00 0.00 0.00 178.15 178.40 1jsn h ASP 46 N 0.29 -0.61 -0.61 1.72 3.32 -0.75 -2.06 116.42 117.73 1jsn h ASP 46 Ca 0.50 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.67 1jsn h ASP 46 Cb 0.93 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1jsn h ASP 46 CO -0.56 -0.41 0.12 1.23 -1.72 0.00 0.00 179.24 177.90 1jsn h GLY 47 N -0.75 0.77 0.92 2.75 0.00 -0.54 -2.46 103.07 103.75 1jsn h GLY 47 Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1jsn h GLY 47 CO 0.12 -0.12 -0.10 -0.84 0.00 0.00 0.00 176.54 175.60 1jsn h THR 48 N 0.25 1.28 -0.40 4.70 2.02 -0.93 -2.95 112.91 116.88 1jsn h THR 48 Ca 0.32 -1.16 0.08 0.00 0.77 0.00 0.00 66.41 66.42 1jsn h THR 48 Cb 0.48 1.38 -0.07 0.00 -1.74 0.00 0.00 68.15 68.20 1jsn h THR 48 CO -0.42 0.38 -0.08 0.74 0.37 0.00 0.00 175.52 176.51 1jsn h THR 49 N 0.40 0.62 -0.41 3.16 2.02 -1.00 -1.73 112.91 115.97 1jsn h THR 49 Ca 0.08 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1jsn h THR 49 Cb 0.60 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1jsn h THR 49 CO 0.04 0.00 0.14 0.78 0.37 0.00 0.00 175.52 176.85 1jsn h ASN 50 N 0.02 0.14 -0.44 4.18 4.21 -1.43 -1.42 115.58 120.83 1jsn h ASN 50 Ca 0.19 0.05 0.09 0.00 1.21 0.00 0.00 56.30 57.84 1jsn h ASN 50 Cb 0.29 0.04 -0.09 0.00 -1.12 0.00 0.00 38.32 37.43 1jsn h ASN 50 CO -0.39 0.11 -0.23 0.50 -1.29 0.00 0.00 177.43 176.12 1jsn h LYS 51 N 0.30 -0.14 -0.15 0.81 3.64 -1.17 1.33 116.57 121.19 1jsn h LYS 51 Ca 0.19 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1jsn h LYS 51 Cb 0.18 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1jsn h LYS 51 CO -0.20 -0.10 -0.22 0.28 -2.27 0.00 0.00 179.45 176.94 1jsn h VAL 52 N -0.15 0.45 -0.34 2.00 2.07 -0.69 0.22 116.25 119.82 1jsn h VAL 52 Ca 0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 1jsn h VAL 52 Cb 0.47 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jsn h VAL 52 CO -0.53 0.00 0.16 0.78 0.02 0.00 0.00 177.57 178.00 1jsn h ASN 53 N -0.27 0.22 -0.69 0.57 2.35 0.12 -0.77 115.58 117.11 1jsn h ASN 53 Ca 0.11 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1jsn h ASN 53 Cb 0.43 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 1jsn h ASN 53 CO -0.31 0.17 0.41 0.28 -1.65 0.00 0.00 177.43 176.33 1jsn h SER 54 N 0.33 0.64 -0.25 5.81 0.02 0.24 0.61 113.55 120.95 1jsn h SER 54 Ca 0.14 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jsn h SER 54 Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1jsn h SER 54 CO -0.11 0.43 0.14 0.40 -1.14 0.00 0.00 176.83 176.54 1jsn h ILE 55 N 0.77 1.12 0.01 3.27 2.04 -0.10 0.43 117.51 125.05 1jsn h ILE 55 Ca 0.30 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jsn h ILE 55 Cb 0.12 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1jsn h ILE 55 CO -0.15 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.51 1jsn h ILE 56 N 0.29 1.00 -0.30 -0.67 2.04 -0.66 -2.80 117.51 116.40 1jsn h ILE 56 Ca 0.09 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 1jsn h ILE 56 Cb 0.06 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1jsn h ILE 56 CO -0.01 0.01 -0.05 0.44 0.00 0.00 0.00 178.15 178.53 1jsn h ASP 57 N -0.03 0.45 0.63 1.72 3.32 -0.69 -2.29 116.42 119.53 1jsn h ASP 57 Ca -0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1jsn h ASP 57 Cb 0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1jsn h ASP 57 CO 0.00 0.55 -0.11 0.11 -1.72 0.00 0.00 179.24 178.08 1jsn h LYS 58 N 0.45 0.00 -0.59 3.56 1.79 -0.74 -2.95 116.57 118.09 1jsn h LYS 58 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1jsn h LYS 58 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1jsn h LYS 58 CO 0.02 0.11 0.00 -1.33 -1.08 0.00 0.00 179.45 177.17 1jsn n MET 59 N -3.39 2.60 0.00 3.15 2.81 -0.87 -4.37 117.12 117.05 1jsn n MET 59 Ca -0.01 -2.46 0.12 0.00 -1.81 0.00 0.00 57.70 53.54 1jsn n MET 59 Cb 0.29 -1.54 0.26 0.00 -0.71 0.00 0.00 33.22 31.52 1jsn n MET 59 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1jsn n ASN 60 N 1.55 0.57 -1.92 7.83 6.94 -1.11 -3.90 115.26 125.22 1jsn n ASN 60 Ca 0.22 -0.34 -0.22 0.00 -0.02 0.00 0.00 54.58 54.22 1jsn n ASN 60 Cb 0.61 0.25 0.11 0.00 -2.36 0.00 0.00 39.78 38.39 1jsn n ASN 60 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1jsn n THR 61 N -1.40 3.01 -2.72 5.53 -1.04 -1.26 -5.00 114.28 111.40 1jsn n THR 61 Ca 0.06 -3.06 -0.22 0.00 -2.04 0.00 0.00 64.05 58.79 1jsn n THR 61 Cb 0.34 -0.83 0.08 0.00 -1.82 0.00 0.00 70.33 68.10 1jsn n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jsn s GLN 62 N -3.54 2.00 0.80 -2.82 -2.07 -1.25 -5.07 119.66 107.70 1jsn s GLN 62 Ca 0.55 -1.20 -0.14 0.00 -1.82 0.00 0.00 55.36 52.74 1jsn s GLN 62 Cb 0.45 -2.45 0.03 0.00 -1.09 0.00 0.00 33.01 29.95 1jsn s GLN 62 CO 0.02 -1.15 0.80 0.34 -1.32 0.00 0.00 175.29 173.98 1jsn n PHE 63 N -2.58 -0.01 -3.68 9.60 7.35 -1.26 -5.07 117.46 121.81 1jsn n PHE 63 Ca 0.14 0.35 -0.12 0.00 -0.76 0.00 0.00 57.45 57.06 1jsn n PHE 63 Cb 0.61 -1.98 -0.12 0.00 0.35 0.00 0.00 39.48 38.34 1jsn n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1jsn s GLU 64 N -3.49 0.23 0.50 -4.13 2.02 -1.26 -5.06 118.70 107.51 1jsn s GLU 64 Ca 0.67 0.77 -0.19 0.00 0.02 0.00 0.00 54.97 56.24 1jsn s GLU 64 Cb -0.30 0.02 -0.08 0.00 0.10 0.00 0.00 34.13 33.88 1jsn s GLU 64 CO 0.56 -0.24 1.03 0.00 0.02 0.00 0.00 175.26 176.64 1jsn s ALA 65 N 2.09 2.88 -0.06 5.21 0.00 -1.26 -5.08 121.76 125.55 1jsn s ALA 65 Ca -0.03 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1jsn s ALA 65 Cb -0.11 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1jsn s ALA 65 CO -0.10 -0.34 -0.05 0.08 0.00 0.00 0.00 175.76 175.34 1jsn s VAL 66 N -2.12 0.67 0.03 0.00 1.01 -1.26 -5.13 120.40 113.60 1jsn s VAL 66 Ca 0.66 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1jsn s VAL 66 Cb -0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1jsn s VAL 66 CO 0.23 0.27 1.35 -0.83 0.00 0.00 0.00 175.10 176.12 1jsn s GLY 67 N 1.13 1.99 0.07 4.51 0.00 -1.26 -5.03 107.32 108.73 1jsn s GLY 67 Ca -0.07 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.59 1jsn s GLY 67 CO -0.01 2.38 -0.09 0.54 0.00 0.00 0.00 173.10 175.92 1jsn s LYS 68 N 1.87 0.70 0.26 2.90 1.02 -1.26 -5.16 119.74 120.07 1jsn s LYS 68 Ca 0.63 -1.00 0.12 0.00 0.02 0.00 0.00 55.97 55.73 1jsn s LYS 68 Cb -0.32 -0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.56 1jsn s LYS 68 CO 0.27 0.05 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.34 1jsn s GLU 69 N -2.39 1.65 0.01 1.68 2.02 -1.26 -5.15 118.70 115.26 1jsn s GLU 69 Ca -0.01 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.21 1jsn s GLU 69 Cb -0.05 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 1jsn s GLU 69 CO -0.01 0.34 0.07 -0.06 0.02 0.00 0.00 175.26 175.63 1jsn s PHE 70 N -2.37 0.14 0.64 1.61 0.08 -1.26 -5.09 117.98 111.73 1jsn s PHE 70 Ca 0.28 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 1jsn s PHE 70 Cb -0.05 -0.11 0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1jsn s PHE 70 CO 0.14 -0.26 0.90 0.54 -0.10 0.00 0.00 175.22 176.44 1jsn s ASN 71 N -1.49 4.92 0.59 1.36 2.20 -1.26 -4.94 114.94 116.31 1jsn s ASN 71 Ca -0.14 0.09 0.30 0.00 -0.94 0.00 0.00 52.86 52.17 1jsn s ASN 71 Cb -0.08 -0.80 1.34 0.00 -2.00 0.00 0.00 41.25 39.72 1jsn s ASN 71 CO 0.00 -1.45 1.70 -0.55 -2.94 0.00 0.00 177.10 173.86 1jsn h ASN 72 N -0.29 0.00 -0.75 3.54 -1.07 -2.04 -0.60 115.58 114.37 1jsn h ASN 72 Ca -0.42 0.00 -0.44 0.00 0.07 0.00 0.00 56.30 55.51 1jsn h ASN 72 Cb 1.30 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 37.30 1jsn h ASN 72 CO 0.53 0.00 0.31 0.18 0.07 0.00 0.00 177.43 178.52 1jsn n LEU 73 N -3.65 5.88 -1.18 6.14 4.77 -1.26 -4.25 117.00 123.45 1jsn n LEU 73 Ca 0.16 -3.91 0.04 0.00 -0.03 0.00 0.00 56.01 52.27 1jsn n LEU 73 Cb 1.04 -0.75 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1jsn n LEU 73 CO 0.29 1.31 0.15 -0.62 -1.33 0.00 0.00 177.39 177.18 1jsn n GLU 74 N -1.06 0.26 -0.19 3.23 1.02 -0.23 -4.88 120.64 118.79 1jsn n GLU 74 Ca 0.50 -2.05 0.04 0.00 -0.02 0.00 0.00 57.16 55.63 1jsn n GLU 74 Cb 1.20 -0.34 0.31 0.00 -0.02 0.00 0.00 31.44 32.58 1jsn n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsn h ARG 75 N 0.82 0.83 -0.10 3.49 2.47 -1.74 0.73 114.38 120.87 1jsn h ARG 75 Ca -0.16 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 1jsn h ARG 75 Cb 1.67 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 29.80 1jsn h ARG 75 CO 0.07 0.55 -0.04 0.00 0.56 0.00 0.00 179.97 181.10 1jsn h ARG 76 N 0.85 0.21 0.00 0.04 3.08 -1.95 -0.30 114.38 116.31 1jsn h ARG 76 Ca 0.29 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1jsn h ARG 76 Cb 0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1jsn h ARG 76 CO -0.09 0.56 -0.42 -0.84 -1.07 0.00 0.00 179.97 178.11 1jsn h ILE 77 N -0.14 1.06 -0.50 2.04 3.07 -1.88 0.39 117.51 121.53 1jsn h ILE 77 Ca 0.02 -1.57 -0.06 0.00 1.55 0.00 0.00 64.86 64.80 1jsn h ILE 77 Cb 0.49 1.91 -0.02 0.00 -0.27 0.00 0.00 36.82 38.93 1jsn h ILE 77 CO 0.01 0.41 0.07 -0.08 -1.05 0.00 0.00 178.15 177.51 1jsn h GLU 78 N 0.00 0.84 -0.49 0.16 4.81 -0.72 0.32 114.58 119.51 1jsn h GLU 78 Ca -0.00 -0.23 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1jsn h GLU 78 Cb 0.88 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1jsn h GLU 78 CO 0.05 0.84 -0.21 -0.97 -0.73 0.00 0.00 179.01 178.00 1jsn h ASN 79 N 0.72 1.02 0.01 1.04 -1.24 -0.76 0.53 115.58 116.91 1jsn h ASN 79 Ca 0.15 -0.38 0.03 0.00 0.71 0.00 0.00 56.30 56.80 1jsn h ASN 79 Cb 0.42 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 1jsn h ASN 79 CO 0.01 1.18 -0.20 0.25 -1.29 0.00 0.00 177.43 177.39 1jsn h LEU 80 N 0.86 -0.58 0.01 0.34 6.46 -0.54 0.64 115.31 122.50 1jsn h LEU 80 Ca 0.11 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1jsn h LEU 80 Cb 0.79 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.90 1jsn h LEU 80 CO 0.07 -0.27 -0.34 -1.13 -0.62 0.00 0.00 178.44 176.15 1jsn h ASN 81 N -0.32 -1.03 -0.74 1.25 -1.24 0.06 -0.79 115.58 112.77 1jsn h ASN 81 Ca 0.06 0.13 0.05 0.00 0.71 0.00 0.00 56.30 57.25 1jsn h ASN 81 Cb 0.39 0.41 -0.05 0.00 0.73 0.00 0.00 38.32 39.80 1jsn h ASN 81 CO -0.18 -0.40 0.44 0.50 -1.29 0.00 0.00 177.43 176.50 1jsn h LYS 82 N -0.50 0.80 -0.27 6.67 3.64 -0.44 -0.39 116.57 126.08 1jsn h LYS 82 Ca 0.06 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1jsn h LYS 82 Cb 0.58 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1jsn h LYS 82 CO -0.27 0.53 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.16 1jsn h LYS 83 N 0.83 0.01 -0.46 1.90 1.63 0.82 -0.59 116.57 120.71 1jsn h LYS 83 Ca 0.32 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 1jsn h LYS 83 Cb 0.14 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 1jsn h LYS 83 CO -0.16 0.00 0.24 1.98 -3.45 0.00 0.00 179.45 178.06 1jsn h MET 84 N 0.01 0.64 -0.49 1.90 1.85 -0.32 0.92 114.93 119.43 1jsn h MET 84 Ca 0.13 -0.08 -0.11 0.00 -0.61 0.00 0.00 59.70 59.02 1jsn h MET 84 Cb 0.20 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 1jsn h MET 84 CO -0.27 0.52 -0.14 0.93 -0.40 0.00 0.00 176.91 177.55 1jsn h GLU 85 N 0.60 0.95 -0.47 0.39 5.08 -0.79 -1.95 114.58 118.38 1jsn h GLU 85 Ca 0.16 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1jsn h GLU 85 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jsn h GLU 85 CO -0.02 1.02 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.47 1jsn h ASP 86 N 0.84 0.90 0.30 1.42 3.32 -1.00 -2.36 116.42 119.84 1jsn h ASP 86 Ca 0.13 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1jsn h ASP 86 Cb 0.69 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1jsn h ASP 86 CO 0.05 1.04 -0.37 1.23 -1.72 0.00 0.00 179.24 179.47 1jsn h GLY 87 N 0.74 -0.84 1.04 2.75 0.00 -0.51 0.21 103.07 106.46 1jsn h GLY 87 Ca 0.12 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1jsn h GLY 87 CO 0.04 -0.29 0.39 0.74 0.00 0.00 0.00 176.54 177.42 1jsn h PHE 88 N -0.72 1.20 0.05 5.60 0.05 -1.40 0.44 116.94 122.15 1jsn h PHE 88 Ca -0.01 -0.06 0.02 0.00 3.82 0.00 0.00 57.97 61.74 1jsn h PHE 88 Cb 0.67 -0.37 -0.03 0.00 2.00 0.00 0.00 35.95 38.22 1jsn h PHE 88 CO -0.24 0.87 -0.20 -0.07 -0.18 0.00 0.00 178.31 178.49 1jsn h LEU 89 N 1.17 -0.57 -0.92 1.54 3.38 -1.08 0.39 115.31 119.23 1jsn h LEU 89 Ca 0.28 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1jsn h LEU 89 Cb 0.13 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1jsn h LEU 89 CO -0.03 -0.27 0.59 0.44 0.09 0.00 0.00 178.44 179.26 1jsn h ASP 90 N -0.34 1.08 -0.02 -0.43 3.32 -0.31 0.24 116.42 119.95 1jsn h ASP 90 Ca 0.04 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jsn h ASP 90 Cb 0.39 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1jsn h ASP 90 CO -0.15 0.80 0.01 0.58 -1.72 0.00 0.00 179.24 178.76 1jsn h VAL 91 N 1.26 1.07 0.00 -1.35 2.07 -0.10 -0.27 116.25 118.94 1jsn h VAL 91 Ca 0.33 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 1jsn h VAL 91 Cb -0.11 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1jsn h VAL 91 CO -0.07 0.06 -0.51 -0.50 0.02 0.00 0.00 177.57 176.57 1jsn h TRP 92 N -0.05 0.00 -0.50 1.57 4.06 0.07 -1.43 115.95 119.67 1jsn h TRP 92 Ca 0.01 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 1jsn h TRP 92 Cb 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1jsn h TRP 92 CO -0.05 0.51 -0.14 1.15 -3.56 0.00 0.00 178.44 176.35 1jsn h THR 93 N 0.00 1.27 -0.59 1.49 2.02 -0.31 -1.64 112.91 115.15 1jsn h THR 93 Ca -0.01 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 1jsn h THR 93 Cb 0.91 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 1jsn h THR 93 CO 0.07 0.45 0.20 0.22 0.37 0.00 0.00 175.52 176.83 1jsn h TYR 94 N 0.84 0.93 -0.64 3.16 3.20 -0.73 -1.57 116.97 122.15 1jsn h TYR 94 Ca 0.13 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jsn h TYR 94 Cb 0.69 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1jsn h TYR 94 CO 0.04 0.76 0.36 -0.91 -1.64 0.00 0.00 178.16 176.78 1jsn h ASN 95 N 0.82 0.80 -0.30 -2.11 2.35 -0.89 -0.95 115.58 115.29 1jsn h ASN 95 Ca 0.19 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1jsn h ASN 95 Cb 0.25 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1jsn h ASN 95 CO -0.01 0.65 -0.03 0.00 -1.65 0.00 0.00 177.43 176.39 1jsn h ALA 96 N 1.18 0.41 -0.04 -0.83 0.00 -1.06 -0.94 119.26 117.99 1jsn h ALA 96 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jsn h ALA 96 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jsn h ALA 96 CO -0.04 0.20 -0.00 0.93 0.00 0.00 0.00 179.25 180.34 1jsn h GLU 97 N 0.34 0.07 -0.75 0.00 5.08 -1.21 -2.16 114.58 115.95 1jsn h GLU 97 Ca 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jsn h GLU 97 Cb 0.49 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1jsn h GLU 97 CO 0.02 0.38 0.36 1.25 -1.00 0.00 0.00 179.01 180.02 1jsn h LEU 98 N -0.24 0.98 -0.37 1.33 5.85 -1.19 -0.21 115.31 121.45 1jsn h LEU 98 Ca 0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1jsn h LEU 98 Cb 0.35 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1jsn h LEU 98 CO 0.00 0.84 0.12 0.25 -0.34 0.00 0.00 178.44 179.31 1jsn h LEU 99 N 1.05 0.53 -0.10 2.25 5.85 -1.20 0.11 115.31 123.81 1jsn h LEU 99 Ca 0.26 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1jsn h LEU 99 Cb 0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1jsn h LEU 99 CO -0.03 0.59 -0.01 0.58 -0.34 0.00 0.00 178.44 179.23 1jsn h VAL 100 N 0.45 0.91 0.49 1.05 2.07 -1.04 -1.22 116.25 118.96 1jsn h VAL 100 Ca 0.12 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1jsn h VAL 100 Cb 0.25 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1jsn h VAL 100 CO -0.00 0.00 -0.42 -0.07 0.02 0.00 0.00 177.57 177.10 1jsn h LEU 101 N 0.02 -1.12 -0.37 2.57 4.07 -0.79 0.10 115.31 119.78 1jsn h LEU 101 Ca 0.05 0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.16 1jsn h LEU 101 Cb 0.07 0.36 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 1jsn h LEU 101 CO -0.09 -0.59 0.02 0.24 -1.08 0.00 0.00 178.44 176.94 1jsn h MET 102 N -0.90 0.12 -0.35 1.13 2.86 -0.70 -2.42 114.93 114.67 1jsn h MET 102 Ca -0.05 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1jsn h MET 102 Cb 0.78 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1jsn h MET 102 CO -0.03 0.08 -0.17 0.93 1.06 0.00 0.00 176.91 178.78 1jsn h GLU 103 N 0.13 0.64 -0.89 1.72 4.39 -1.12 -2.77 114.58 116.68 1jsn h GLU 103 Ca 0.18 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1jsn h GLU 103 Cb 0.24 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1jsn h GLU 103 CO -0.28 0.78 0.58 -0.91 -1.16 0.00 0.00 179.01 178.01 1jsn h ASN 104 N 0.57 0.98 -0.79 1.42 2.35 -0.34 0.17 115.58 119.94 1jsn h ASN 104 Ca 0.09 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1jsn h ASN 104 Cb 0.62 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 1jsn h ASN 104 CO 0.04 0.69 0.52 -0.08 -1.65 0.00 0.00 177.43 176.96 1jsn h GLU 105 N 1.15 1.05 -0.19 0.81 4.81 -1.18 -2.06 114.58 118.96 1jsn h GLU 105 Ca 0.34 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1jsn h GLU 105 Cb -0.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1jsn h GLU 105 CO -0.10 0.69 -0.34 0.00 -0.73 0.00 0.00 179.01 178.53 1jsn h ARG 106 N 1.08 0.40 0.08 1.92 3.08 -1.00 -2.57 114.38 117.36 1jsn h ARG 106 Ca 0.29 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1jsn h ARG 106 Cb -0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1jsn h ARG 106 CO -0.06 0.70 -0.04 1.15 -1.07 0.00 0.00 179.97 180.65 1jsn h THR 107 N 0.34 0.93 -0.67 2.04 2.02 -0.05 0.24 112.91 117.76 1jsn h THR 107 Ca 0.04 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1jsn h THR 107 Cb 0.77 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1jsn h THR 107 CO 0.06 0.01 0.44 -0.07 0.37 0.00 0.00 175.52 176.33 1jsn h LEU 108 N -0.12 0.71 -0.51 2.58 3.38 -1.28 -1.44 115.31 118.63 1jsn h LEU 108 Ca -0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1jsn h LEU 108 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jsn h LEU 108 CO 0.02 0.49 -0.50 0.44 0.09 0.00 0.00 178.44 178.98 1jsn h ASP 109 N 0.83 0.00 -0.35 -0.43 3.32 -1.01 -2.51 116.42 116.27 1jsn h ASP 109 Ca 0.26 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1jsn h ASP 109 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1jsn h ASP 109 CO -0.07 0.50 -0.03 0.15 -1.72 0.00 0.00 179.24 178.07 1jsn h PHE 110 N 0.00 0.69 0.07 4.55 3.57 0.51 0.23 116.94 126.56 1jsn h PHE 110 Ca -0.00 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1jsn h PHE 110 Cb 1.17 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1jsn h PHE 110 CO 0.00 0.76 -0.03 0.45 -2.23 0.00 0.00 178.31 177.25 1jsn h HIS 111 N 0.43 -0.09 -0.02 0.41 3.86 -1.38 0.48 115.15 118.85 1jsn h HIS 111 Ca 0.09 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1jsn h HIS 111 Cb 0.50 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 1jsn h HIS 111 CO 0.04 0.09 -0.30 0.22 0.86 0.00 0.00 177.93 178.84 1jsn h ASP 112 N -0.25 -0.89 -0.82 2.45 3.58 -1.34 0.17 116.42 119.31 1jsn h ASP 112 Ca -0.01 0.12 0.11 0.00 0.42 0.00 0.00 57.03 57.67 1jsn h ASP 112 Cb 0.22 0.36 -0.08 0.00 1.72 0.00 0.00 39.33 41.55 1jsn h ASP 112 CO 0.02 -0.36 0.45 -1.28 -2.88 0.00 0.00 179.24 175.19 1jsn h SER 113 N -0.44 0.62 -0.92 2.28 0.87 -0.39 -0.41 113.55 115.16 1jsn h SER 113 Ca 0.07 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1jsn h SER 113 Cb 0.53 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 1jsn h SER 113 CO -0.26 0.33 0.60 0.78 -0.53 0.00 0.00 176.83 177.74 1jsn h ASN 114 N 0.73 1.01 -0.19 6.23 2.35 0.20 -1.88 115.58 124.03 1jsn h ASN 114 Ca 0.41 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1jsn h ASN 114 Cb 0.45 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jsn h ASN 114 CO -0.28 0.70 -0.19 0.58 -1.65 0.00 0.00 177.43 176.59 1jsn h VAL 115 N 1.18 1.33 -0.20 2.81 2.07 0.55 -2.00 116.25 122.00 1jsn h VAL 115 Ca 0.36 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1jsn h VAL 115 Cb -0.03 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1jsn h VAL 115 CO -0.11 0.41 0.09 0.50 0.02 0.00 0.00 177.57 178.48 1jsn h LYS 116 N 0.12 0.27 0.09 1.57 3.64 -0.87 0.11 116.57 121.50 1jsn h LYS 116 Ca 0.03 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 1jsn h LYS 116 Cb 0.73 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1jsn h LYS 116 CO 0.05 0.21 -1.16 -0.91 -2.27 0.00 0.00 179.45 175.37 1jsn h ASN 117 N 0.27 0.45 0.11 4.20 2.35 -1.28 -0.39 115.58 121.28 1jsn h ASN 117 Ca 0.07 -0.44 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1jsn h ASN 117 Cb 0.03 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1jsn h ASN 117 CO -0.01 1.31 -0.05 0.25 -1.65 0.00 0.00 177.43 177.28 1jsn h LEU 118 N 0.11 -0.13 -1.30 1.61 5.85 -0.84 0.21 115.31 120.83 1jsn h LEU 118 Ca -0.12 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 58.55 1jsn h LEU 118 Cb 1.86 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.85 1jsn h LEU 118 CO 0.19 0.13 0.58 0.22 -0.34 0.00 0.00 178.44 179.22 1jsn h TYR 119 N -0.39 0.80 -0.09 1.25 3.20 -0.81 -1.44 116.97 119.48 1jsn h TYR 119 Ca -0.02 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 1jsn h TYR 119 Cb 0.32 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.35 1jsn h TYR 119 CO 0.01 0.28 -0.61 -0.44 -1.64 0.00 0.00 178.16 175.75 1jsn h ASP 120 N 0.66 0.70 0.00 -2.11 5.19 -0.66 -1.16 116.42 119.04 1jsn h ASP 120 Ca 0.46 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1jsn h ASP 120 Cb 0.78 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1jsn h ASP 120 CO -0.21 1.25 0.05 1.17 -3.12 0.00 0.00 179.24 178.38 1jsn n LYS 121 N -4.14 0.12 -0.11 3.56 4.81 0.71 -1.41 118.16 121.70 1jsn n LYS 121 Ca -0.08 0.61 -0.13 0.00 -0.87 0.00 0.00 58.31 57.83 1jsn n LYS 121 Cb 0.66 -1.93 -0.12 0.00 0.02 0.00 0.00 35.03 33.66 1jsn n LYS 121 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jsn n VAL 122 N -2.13 1.29 0.32 3.15 0.31 -1.01 -3.87 118.33 116.39 1jsn n VAL 122 Ca -0.01 -0.60 -0.17 0.00 -0.01 0.00 0.00 64.34 63.55 1jsn n VAL 122 Cb 0.08 -1.03 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 1jsn n VAL 122 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1jsn h ARG 123 N 0.00 -0.76 0.00 5.55 2.43 0.00 -0.03 114.38 121.57 1jsn h ARG 123 Ca -0.50 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1jsn h ARG 123 Cb 1.91 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 1jsn h ARG 123 CO -0.04 -0.51 0.00 -0.11 -1.51 0.00 0.00 179.97 177.80 1jsn n LEU 124 N -5.43 0.00 -0.08 3.80 7.94 -0.51 -2.81 117.00 119.91 1jsn n LEU 124 Ca -0.12 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.69 1jsn n LEU 124 Cb 0.33 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.25 1jsn n LEU 124 CO 0.37 0.00 -0.62 1.67 -1.11 0.00 0.00 177.39 177.69 1jsn n GLN 125 N -0.83 0.48 0.02 1.96 7.27 -0.46 -4.38 117.38 121.45 1jsn n GLN 125 Ca 0.08 0.19 0.01 0.00 0.07 0.00 0.00 57.00 57.35 1jsn n GLN 125 Cb 0.04 -1.35 0.06 0.00 2.41 0.00 0.00 30.24 31.40 1jsn n GLN 125 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1jsn n LEU 126 N -4.38 0.06 0.00 1.69 4.77 -0.15 -4.79 117.00 114.20 1jsn n LEU 126 Ca -0.13 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1jsn n LEU 126 Cb 0.48 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1jsn n LEU 126 CO 0.19 -0.51 0.00 0.54 -1.33 0.00 0.00 177.39 176.28 1jsn n ARG 127 N -1.54 0.00 -0.83 3.23 3.00 -1.12 -0.26 116.66 119.13 1jsn n ARG 127 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.85 57.85 1jsn n ARG 127 Cb 0.05 0.00 0.31 0.00 0.00 0.00 0.00 32.46 32.82 1jsn n ARG 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1jsn n ASP 128 N 2.79 4.61 0.03 0.55 8.00 -1.26 -4.35 116.55 126.91 1jsn n ASP 128 Ca 0.00 -3.16 0.11 0.00 0.71 0.00 0.00 54.79 52.46 1jsn n ASP 128 Cb 0.00 -0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 40.32 1jsn n ASP 128 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jsn n ASN 129 N -0.15 0.31 -4.23 -2.24 3.02 0.64 -4.97 115.26 107.63 1jsn n ASN 129 Ca 0.32 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1jsn n ASN 129 Cb 1.19 1.45 -0.10 0.00 -0.61 0.00 0.00 39.78 41.71 1jsn n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsn s ALA 130 N -3.45 1.29 -0.17 5.41 0.00 -1.24 -2.18 121.76 121.41 1jsn s ALA 130 Ca -0.05 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 50.33 1jsn s ALA 130 Cb 0.13 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1jsn s ALA 130 CO 0.87 -0.26 0.02 0.21 0.00 0.00 0.00 175.76 176.59 1jsn s LYS 131 N -3.87 3.85 -0.28 0.00 2.47 0.10 -4.89 119.74 117.12 1jsn s LYS 131 Ca 0.20 -0.42 -0.29 0.00 -1.56 0.00 0.00 55.97 53.90 1jsn s LYS 131 Cb 0.05 -3.09 -0.00 0.00 -1.46 0.00 0.00 37.83 33.33 1jsn s LYS 131 CO 0.01 0.26 1.35 -2.00 0.16 0.00 0.00 175.35 175.14 1jsn s GLU 132 N 0.35 3.91 0.32 4.03 2.12 -1.26 -1.71 118.70 126.46 1jsn s GLU 132 Ca -0.00 1.33 0.23 0.00 0.36 0.00 0.00 54.97 56.89 1jsn s GLU 132 Cb -0.13 -3.90 0.23 0.00 0.26 0.00 0.00 34.13 30.59 1jsn s GLU 132 CO 0.01 -1.14 1.38 -0.07 -0.54 0.00 0.00 175.26 174.91 1jsn h LEU 133 N 10.97 0.00 0.32 2.70 4.07 -1.88 -3.48 115.31 128.01 1jsn h LEU 133 Ca -0.27 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.60 1jsn h LEU 133 Cb 1.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 1jsn h LEU 133 CO 1.03 0.01 -0.08 0.61 -1.08 0.00 0.00 178.44 178.92 1jsn n GLY 134 N 1.15 0.50 0.00 0.83 0.00 -1.26 -4.87 105.19 101.54 1jsn n GLY 134 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1jsn n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsn n ASN 135 N 1.33 1.02 0.00 1.61 6.94 -1.26 -4.85 115.26 120.06 1jsn n ASN 135 Ca -0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 1jsn n ASN 135 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1jsn n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsn n GLY 136 N -0.24 0.59 3.71 4.83 0.00 -1.26 -4.65 105.19 108.16 1jsn n GLY 136 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1jsn n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsn s PHE 138 N -2.17 1.41 -0.32 0.00 0.40 -1.26 -2.47 117.98 113.57 1jsn s PHE 138 Ca 0.31 -0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1jsn s PHE 138 Cb -0.07 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.29 1jsn s PHE 138 CO 0.21 -0.50 0.09 -2.00 0.70 0.00 0.00 175.22 173.73 1jsn s GLU 139 N 1.73 2.79 1.24 0.44 2.12 -0.69 -4.85 118.70 121.48 1jsn s GLU 139 Ca 0.05 -1.06 -0.17 0.00 0.36 0.00 0.00 54.97 54.14 1jsn s GLU 139 Cb -0.13 -3.42 0.30 0.00 0.26 0.00 0.00 34.13 31.14 1jsn s GLU 139 CO -0.08 -0.58 1.02 -0.06 -0.54 0.00 0.00 175.26 175.02 1jsn s PHE 140 N 1.44 0.63 -0.17 5.30 0.40 -1.26 0.02 117.98 124.35 1jsn s PHE 140 Ca -0.00 0.79 -0.16 0.00 -0.60 0.00 0.00 56.93 56.96 1jsn s PHE 140 Cb -0.19 -3.13 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1jsn s PHE 140 CO 0.03 -4.13 -0.32 0.66 0.70 0.00 0.00 175.22 172.16 1jsn n TYR 141 N -5.03 0.06 -3.38 0.36 4.02 -0.93 -4.72 117.16 107.54 1jsn n TYR 141 Ca 0.08 0.03 -0.38 0.00 -0.01 0.00 0.00 57.90 57.62 1jsn n TYR 141 Cb 0.58 -0.49 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 1jsn n TYR 141 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1jsn s HIS 142 N -2.74 3.45 0.08 -0.72 3.76 -1.26 -5.00 115.29 112.86 1jsn s HIS 142 Ca -0.26 0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 55.23 1jsn s HIS 142 Cb 0.04 -2.50 -0.09 0.00 1.11 0.00 0.00 32.58 31.13 1jsn s HIS 142 CO 0.39 0.12 0.33 0.36 -0.85 0.00 0.00 174.74 175.09 1jsn n LYS 143 N 3.95 0.00 -3.93 1.40 0.00 -1.26 -5.02 118.16 113.30 1jsn n LYS 143 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.11 1jsn n LYS 143 Cb 0.51 -0.58 -0.13 0.00 -0.00 0.00 0.00 35.03 34.83 1jsn n LYS 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jsn n ASP 145 N 2.72 1.34 -0.00 0.00 5.75 -1.26 -4.78 116.55 120.32 1jsn n ASP 145 Ca -0.15 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.59 1jsn n ASP 145 Cb 0.59 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.84 1jsn n ASP 145 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1jsn h ASN 146 N 0.00 0.54 0.97 -1.12 -0.26 -1.97 1.97 115.58 115.71 1jsn h ASN 146 Ca 0.00 -0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.46 1jsn h ASN 146 Cb 0.00 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 1jsn h ASN 146 CO 0.00 0.80 -0.39 1.05 -1.06 0.00 0.00 177.43 177.84 1jsn h GLU 147 N 0.46 0.00 0.15 0.81 4.11 -1.98 -1.60 114.58 116.54 1jsn h GLU 147 Ca 0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.18 1jsn h GLU 147 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1jsn h GLU 147 CO 0.06 0.39 -1.54 0.00 0.07 0.00 0.00 179.01 177.98 1jsn h MET 149 N -0.11 -0.41 0.00 0.00 4.05 0.32 -0.39 114.93 118.38 1jsn h MET 149 Ca -0.31 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1jsn h MET 149 Cb 1.92 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.82 1jsn h MET 149 CO 0.12 -0.28 0.02 0.39 0.23 0.00 0.00 176.91 177.40 1jsn n GLU 150 N -5.29 0.00 -0.06 0.39 4.71 -0.61 -1.44 120.64 118.34 1jsn n GLU 150 Ca -0.10 0.19 -0.09 0.00 -0.01 0.00 0.00 57.16 57.16 1jsn n GLU 150 Cb 0.20 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 29.04 1jsn n GLU 150 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1jsn h SER 151 N 0.00 0.00 -0.41 1.62 0.02 -1.15 -1.99 113.55 111.64 1jsn h SER 151 Ca 0.00 -0.54 0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1jsn h SER 151 Cb 0.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1jsn h SER 151 CO 0.00 0.82 0.06 0.58 -1.14 0.00 0.00 176.83 177.15 1jsn h VAL 152 N -1.00 0.77 -0.59 2.27 2.07 -1.22 -0.55 116.25 118.01 1jsn h VAL 152 Ca -0.02 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1jsn h VAL 152 Cb 0.60 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1jsn h VAL 152 CO -0.01 0.03 0.05 0.11 0.02 0.00 0.00 177.57 177.77 1jsn h LYS 153 N 0.19 0.98 0.00 1.57 1.57 -1.66 -2.06 116.57 117.17 1jsn h LYS 153 Ca 0.20 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jsn h LYS 153 Cb 0.25 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1jsn h LYS 153 CO -0.27 0.94 0.00 -1.71 -0.57 0.00 0.00 179.45 177.83 1jsn n ASN 154 N -4.21 0.40 0.00 0.86 5.15 -0.33 -4.81 115.26 112.33 1jsn n ASN 154 Ca 0.03 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.66 1jsn n ASN 154 Cb 0.30 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 1jsn n ASN 154 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jsn n GLY 155 N -0.81 0.53 2.30 8.20 0.00 -0.53 -4.85 105.19 110.04 1jsn n GLY 155 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1jsn n GLY 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jsn n THR 156 N -2.03 3.07 -3.30 2.61 -1.04 -1.08 -5.02 114.28 107.48 1jsn n THR 156 Ca 0.00 -3.81 -0.33 0.00 -2.04 0.00 0.00 64.05 57.87 1jsn n THR 156 Cb 0.01 -1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 1jsn n THR 156 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1jsn s TYR 157 N -3.74 3.44 0.00 -1.42 5.04 -1.22 -4.89 117.35 114.57 1jsn s TYR 157 Ca 0.56 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1jsn s TYR 157 Cb 0.45 -2.38 0.00 0.00 0.35 0.00 0.00 41.96 40.38 1jsn s TYR 157 CO -0.06 0.24 0.00 -0.25 -1.34 0.00 0.00 175.55 174.13 1jsn n ASP 158 N -0.06 -0.19 0.00 4.32 10.43 -1.26 -4.79 116.55 125.00 1jsn n ASP 158 Ca 0.01 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.37 1jsn n ASP 158 Cb 0.52 0.06 0.04 0.00 1.84 0.00 0.00 41.12 43.58 1jsn n ASP 158 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1jsn n TYR 159 N 2.68 0.00 1.81 1.24 4.02 -1.26 -5.21 117.16 120.44 1jsn n TYR 159 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1jsn n TYR 159 Cb 0.00 0.00 0.86 0.00 -0.02 0.00 0.00 39.34 40.18 1jsn n TYR 159 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50