#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 3.81 1.24 1.61 2.20 -1.26 -5.04 114.94 117.51 1jsa s ASN 2 Ca 0.00 0.52 -0.17 0.00 -0.94 0.00 0.00 52.86 52.28 1jsa s ASN 2 Cb 0.00 -0.79 0.26 0.00 -2.00 0.00 0.00 41.25 38.72 1jsa s ASN 2 CO 0.00 -2.32 0.59 -1.54 -2.94 0.00 0.00 177.10 170.89 1jsa n SER 3 N -3.54 -3.44 -4.78 3.54 3.41 -1.26 -4.92 113.62 102.62 1jsa n SER 3 Ca 0.12 -0.60 -0.34 0.00 -0.26 0.00 0.00 58.87 57.79 1jsa n SER 3 Cb 0.60 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1jsa n SER 3 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jsa s LYS 4 N -4.19 3.20 0.00 4.33 -2.85 -1.26 -4.93 119.74 114.03 1jsa s LYS 4 Ca 0.46 1.42 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1jsa s LYS 4 Cb -0.08 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1jsa s LYS 4 CO 0.38 -0.94 0.00 0.43 0.10 0.00 0.00 175.35 175.32 1jsa n SER 5 N -1.82 0.00 0.00 0.03 7.64 -1.26 -4.84 113.62 113.37 1jsa n SER 5 Ca 0.10 -0.59 0.01 0.00 1.01 0.00 0.00 58.87 59.40 1jsa n SER 5 Cb 0.52 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N 0.00 -0.44 2.01 0.23 0.00 -1.26 -3.34 105.19 102.38 1jsa n GLY 6 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N -1.39 5.59 -2.10 4.61 0.00 -1.26 -4.89 120.51 121.07 1jsa n ALA 7 Ca 0.01 -1.47 -0.41 0.00 0.00 0.00 0.00 53.44 51.57 1jsa n ALA 7 Cb 0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 1jsa n ALA 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jsa s LEU 8 N 0.00 4.50 0.00 0.00 0.05 -1.21 -4.54 118.68 117.47 1jsa s LEU 8 Ca 0.54 2.01 0.00 0.00 0.05 0.00 0.00 54.13 56.73 1jsa s LEU 8 Cb 0.26 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.80 1jsa s LEU 8 CO 0.00 -0.17 0.00 -0.24 -0.55 0.00 0.00 176.35 175.39 1jsa n SER 9 N 2.44 0.00 0.21 1.48 2.88 -1.26 -4.86 113.62 114.51 1jsa n SER 9 Ca 0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.65 1jsa n SER 9 Cb 0.47 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.35 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jsa h LYS 10 N 0.00 0.00 0.15 -1.46 1.57 -1.98 0.18 116.57 115.03 1jsa h LYS 10 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1jsa h LYS 10 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jsa h LYS 10 CO 0.00 0.28 -1.30 1.49 -0.57 0.00 0.00 179.45 179.35 1jsa h GLU 11 N 0.00 0.32 0.29 3.15 4.81 -1.90 -2.62 114.58 118.63 1jsa h GLU 11 Ca -0.00 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1jsa h GLU 11 Cb 0.77 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1jsa h GLU 11 CO 0.04 1.26 -0.14 0.82 -0.73 0.00 0.00 179.01 180.25 1jsa h ILE 12 N 0.09 0.00 -0.93 2.32 1.08 -1.82 -3.08 117.51 115.16 1jsa h ILE 12 Ca -0.16 -0.62 0.27 0.00 -0.39 0.00 0.00 64.86 63.96 1jsa h ILE 12 Cb 2.01 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.72 1jsa h ILE 12 CO 0.22 0.00 0.71 -0.07 -0.69 0.00 0.00 178.15 178.31 1jsa h LEU 13 N -1.01 0.00 -1.09 1.44 3.38 -0.81 1.70 115.31 118.92 1jsa h LEU 13 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jsa h LEU 13 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jsa h LEU 13 CO 0.07 0.00 0.41 -0.08 0.09 0.00 0.00 178.44 178.92 1jsa h GLU 14 N 0.00 0.00 -0.00 1.13 4.81 -1.37 2.84 114.58 121.99 1jsa h GLU 14 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1jsa h GLU 14 Cb 1.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1jsa h GLU 14 CO -0.00 0.00 -0.32 0.39 -0.73 0.00 0.00 179.01 178.34 1jsa n GLU 15 N -2.34 0.34 0.26 1.92 -0.58 0.58 -4.21 120.64 116.61 1jsa n GLU 15 Ca -0.01 -0.17 0.01 0.00 -0.42 0.00 0.00 57.16 56.57 1jsa n GLU 15 Cb 0.43 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.88 1jsa n GLU 15 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1jsa h LEU 16 N 0.43 0.00 -0.93 -4.62 -0.00 0.50 -2.46 115.31 108.22 1jsa h LEU 16 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.01 1jsa h LEU 16 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.00 1jsa h LEU 16 CO 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 178.44 178.04 1jsa n GLN 17 N -2.20 -0.25 0.00 0.17 1.13 -1.26 -3.99 117.38 110.97 1jsa n GLN 17 Ca -0.00 1.43 0.00 0.00 -1.94 0.00 0.00 57.00 56.48 1jsa n GLN 17 Cb 0.82 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1jsa n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1jsa n LEU 18 N -5.33 0.35 -4.77 1.08 4.32 -0.93 -4.96 117.00 106.77 1jsa n LEU 18 Ca 0.08 0.01 -0.41 0.00 -0.02 0.00 0.00 56.01 55.67 1jsa n LEU 18 Cb 0.35 -0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1jsa n LEU 18 CO -0.13 -0.06 1.09 0.21 -1.22 0.00 0.00 177.39 177.28 1jsa s ASN 19 N -1.37 6.54 0.14 -1.43 3.84 -1.26 -4.89 114.94 116.51 1jsa s ASN 19 Ca 0.00 2.85 0.25 0.00 0.21 0.00 0.00 52.86 56.17 1jsa s ASN 19 Cb 0.00 -2.65 0.52 0.00 -0.55 0.00 0.00 41.25 38.57 1jsa s ASN 19 CO 0.00 -0.74 1.48 1.07 -2.79 0.00 0.00 177.10 176.12 1jsa n THR 20 N 1.13 0.40 -1.43 -5.21 5.66 -1.26 -4.19 114.28 109.38 1jsa n THR 20 Ca 0.03 -0.26 0.17 0.00 -3.05 0.00 0.00 64.05 60.94 1jsa n THR 20 Cb 0.40 -0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 1jsa n THR 20 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jsa n LYS 21 N -2.11 -3.20 -1.22 1.09 4.01 -1.26 -4.92 118.16 110.55 1jsa n LYS 21 Ca 0.04 2.57 -0.14 0.00 -0.51 0.00 0.00 58.31 60.27 1jsa n LYS 21 Cb 0.43 -3.78 0.09 0.00 -0.51 0.00 0.00 35.03 31.26 1jsa n LYS 21 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1jsa n PHE 22 N -4.31 -3.68 -1.46 2.13 3.72 -1.26 -4.82 117.46 107.78 1jsa n PHE 22 Ca -0.08 -0.72 -0.45 0.00 -0.05 0.00 0.00 57.45 56.15 1jsa n PHE 22 Cb 0.67 -0.47 -0.11 0.00 -0.94 0.00 0.00 39.48 38.63 1jsa n PHE 22 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1jsa n THR 23 N -2.65 0.01 -0.58 4.37 -1.04 -1.26 -4.66 114.28 108.48 1jsa n THR 23 Ca 0.09 -0.20 0.47 0.00 -2.04 0.00 0.00 64.05 62.37 1jsa n THR 23 Cb 0.30 -1.12 0.78 0.00 -1.82 0.00 0.00 70.33 68.47 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1jsa h GLU 24 N 13.04 0.01 -0.19 -2.82 4.11 -1.92 2.43 114.58 129.25 1jsa h GLU 24 Ca -0.13 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.35 1jsa h GLU 24 Cb 1.32 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1jsa h GLU 24 CO 1.24 0.01 0.37 0.93 0.07 0.00 0.00 179.01 181.62 1jsa h GLU 25 N 0.01 0.00 0.09 1.06 5.08 -2.02 0.15 114.58 118.96 1jsa h GLU 25 Ca 0.83 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 59.06 1jsa h GLU 25 Cb 3.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 32.50 1jsa h GLU 25 CO -0.07 0.00 -0.58 1.49 -1.00 0.00 0.00 179.01 178.85 1jsa h GLU 26 N 0.00 0.23 0.00 2.33 4.81 0.39 -3.09 114.58 119.25 1jsa h GLU 26 Ca 0.09 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1jsa h GLU 26 Cb 0.82 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1jsa h GLU 26 CO -0.00 1.16 0.44 -0.07 -0.73 0.00 0.00 179.01 179.80 1jsa h LEU 27 N -0.50 0.00 0.00 1.64 4.07 -0.75 2.43 115.31 122.20 1jsa h LEU 27 Ca -0.10 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.80 1jsa h LEU 27 Cb 1.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.16 1jsa h LEU 27 CO 0.11 0.00 -0.41 0.28 -1.08 0.00 0.00 178.44 177.34 1jsa h SER 28 N 0.00 0.00 1.47 -0.43 0.02 -1.48 -3.22 113.55 109.91 1jsa h SER 28 Ca 0.00 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.37 1jsa h SER 28 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1jsa h SER 28 CO 0.00 1.01 -0.15 0.28 -1.14 0.00 0.00 176.83 176.83 1jsa h SER 29 N -1.00 0.00 0.97 3.07 0.02 -0.90 -2.71 113.55 113.00 1jsa h SER 29 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1jsa h SER 29 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1jsa h SER 29 CO -0.06 0.15 0.00 1.87 -1.14 0.00 0.00 176.83 177.65 1jsa n TRP 30 N -3.18 0.87 0.02 3.45 -0.00 0.80 -1.15 117.44 118.25 1jsa n TRP 30 Ca 0.02 0.31 -0.19 0.00 -0.00 0.00 0.00 57.50 57.64 1jsa n TRP 30 Cb 0.50 -1.01 -0.14 0.00 -0.00 0.00 0.00 31.31 30.66 1jsa n TRP 30 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 1jsa h TYR 31 N 0.00 0.42 0.14 5.87 3.20 -1.49 -3.25 116.97 121.86 1jsa h TYR 31 Ca 0.00 -0.31 -0.29 0.00 3.14 0.00 0.00 58.73 61.27 1jsa h TYR 31 Cb 0.48 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.75 1jsa h TYR 31 CO 0.00 1.31 -1.25 -0.56 -1.64 0.00 0.00 178.16 176.01 1jsa h GLN 32 N -0.48 0.44 -0.14 1.82 3.07 -1.60 -3.13 115.11 115.09 1jsa h GLN 32 Ca -0.15 -0.66 0.04 0.00 0.09 0.00 0.00 58.65 57.97 1jsa h GLN 32 Cb 1.55 0.23 -0.01 0.00 0.08 0.00 0.00 27.48 29.33 1jsa h GLN 32 CO 0.10 1.29 0.18 1.03 0.09 0.00 0.00 178.83 181.52 1jsa h SER 33 N 0.17 0.00 0.87 0.06 0.87 -1.29 0.20 113.55 114.43 1jsa h SER 33 Ca -0.17 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.16 1jsa h SER 33 Cb 1.94 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.87 1jsa h SER 33 CO 0.22 0.00 -1.18 0.15 -0.53 0.00 0.00 176.83 175.49 1jsa h PHE 34 N 0.00 0.00 -0.09 2.24 3.57 -1.58 -2.15 116.94 118.94 1jsa h PHE 34 Ca 0.06 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1jsa h PHE 34 Cb 0.42 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1jsa h PHE 34 CO 0.00 0.99 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.84 1jsa h LEU 35 N 0.00 0.13 0.12 0.59 3.38 -0.55 0.30 115.31 119.27 1jsa h LEU 35 Ca -0.08 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.53 1jsa h LEU 35 Cb 1.83 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1jsa h LEU 35 CO 0.11 0.31 -1.76 0.11 0.09 0.00 0.00 178.44 177.30 1jsa h LYS 36 N 0.13 0.25 0.00 1.13 1.57 -1.50 -3.19 116.57 114.97 1jsa h LYS 36 Ca 0.03 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1jsa h LYS 36 Cb 0.36 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jsa h LYS 36 CO 0.02 1.10 0.00 0.39 -0.57 0.00 0.00 179.45 180.40 1jsa n GLU 37 N -3.43 0.69 -3.15 3.15 1.02 -0.81 -4.58 120.64 113.52 1jsa n GLU 37 Ca -0.24 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1jsa n GLU 37 Cb 1.05 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n PRO 39 N 5.24 2.65 0.00 0.00 -0.02 -1.20 -4.13 135.00 137.53 1jsa n PRO 39 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1jsa n PRO 39 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa n SER 40 N 0.00 0.00 0.00 2.55 2.88 -1.26 -4.58 113.62 113.21 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jsa n SER 40 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jsa n GLY 41 N 0.00 -0.26 2.81 0.46 0.00 -1.26 -5.12 105.19 101.82 1jsa n GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N 0.00 0.11 0.41 1.61 0.52 -1.26 -4.69 118.95 115.65 1jsa s ARG 42 Ca 0.00 0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 55.36 1jsa s ARG 42 Cb 0.00 -0.73 -0.08 0.00 0.52 0.00 0.00 34.95 34.66 1jsa s ARG 42 CO 0.00 -0.47 1.17 0.42 0.02 0.00 0.00 175.30 176.44 1jsa s ILE 43 N 2.31 3.15 0.60 1.52 1.01 -1.11 -4.85 121.20 123.83 1jsa s ILE 43 Ca 0.04 0.94 0.08 0.00 0.00 0.00 0.00 60.65 61.71 1jsa s ILE 43 Cb -0.14 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.92 1jsa s ILE 43 CO -0.09 0.07 0.83 0.35 0.00 0.00 0.00 174.94 176.09 1jsa n THR 44 N -0.04 0.00 0.00 2.92 -2.24 -1.26 -2.59 114.28 111.07 1jsa n THR 44 Ca 0.05 -1.84 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 1jsa n THR 44 Cb 0.47 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1jsa n THR 44 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1jsa n ARG 45 N -2.35 0.00 -0.27 -0.78 3.00 -1.26 -2.30 116.66 112.69 1jsa n ARG 45 Ca 0.16 0.46 0.09 0.00 -0.00 0.00 0.00 57.85 58.56 1jsa n ARG 45 Cb 0.59 -1.35 0.33 0.00 0.00 0.00 0.00 32.46 32.03 1jsa n ARG 45 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1jsa h GLN 46 N 0.00 0.77 -1.00 -0.14 -0.00 -1.97 -1.54 115.11 111.24 1jsa h GLN 46 Ca 0.00 -0.05 0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1jsa h GLN 46 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 27.48 27.24 1jsa h GLN 46 CO 0.00 0.51 0.65 1.49 0.00 0.00 0.00 178.83 181.48 1jsa h GLU 47 N 0.80 1.18 -1.35 1.69 4.81 -1.96 -1.44 114.58 118.30 1jsa h GLU 47 Ca 0.43 -0.07 0.39 0.00 -0.13 0.00 0.00 59.36 59.98 1jsa h GLU 47 Cb 0.53 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1jsa h GLU 47 CO -0.19 0.78 1.09 0.35 -0.73 0.00 0.00 179.01 180.32 1jsa h PHE 48 N 1.22 0.00 0.00 0.92 3.57 -0.85 2.02 116.94 123.82 1jsa h PHE 48 Ca 0.41 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.80 1jsa h PHE 48 Cb 0.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1jsa h PHE 48 CO -0.00 0.00 -0.66 0.37 -2.23 0.00 0.00 178.31 175.78 1jsa h GLN 49 N 0.00 0.00 -0.10 1.11 -0.00 -1.40 -3.27 115.11 111.46 1jsa h GLN 49 Ca 0.64 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 59.32 1jsa h GLN 49 Cb 2.83 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 30.30 1jsa h GLN 49 CO -0.01 0.42 0.23 1.15 0.00 0.00 0.00 178.83 180.63 1jsa h THR 50 N 0.00 0.19 0.00 2.39 2.02 0.32 0.99 112.91 118.83 1jsa h THR 50 Ca -0.03 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.93 1jsa h THR 50 Cb 1.39 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1jsa h THR 50 CO 0.06 0.00 -1.43 0.40 0.37 0.00 0.00 175.52 174.92 1jsa h ILE 51 N 0.00 0.78 0.04 3.11 2.04 -1.61 -3.38 117.51 118.49 1jsa h ILE 51 Ca 0.05 -2.43 -0.00 0.00 1.00 0.00 0.00 64.86 63.48 1jsa h ILE 51 Cb 0.51 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1jsa h ILE 51 CO -0.00 0.44 -0.02 1.88 0.00 0.00 0.00 178.15 180.45 1jsa h TYR 52 N 0.00 -0.06 -1.41 1.37 -1.99 -0.95 -3.19 116.97 110.75 1jsa h TYR 52 Ca -0.19 -0.00 0.46 0.00 2.00 0.00 0.00 58.73 61.01 1jsa h TYR 52 Cb 1.76 0.02 -0.12 0.00 2.00 0.00 0.00 36.73 40.39 1jsa h TYR 52 CO 0.00 0.43 0.94 0.43 -0.00 0.00 0.00 178.16 179.95 1jsa n SER 53 N -4.88 0.15 0.17 3.88 7.64 -0.95 0.26 113.62 119.89 1jsa n SER 53 Ca -0.09 1.20 0.03 0.00 1.01 0.00 0.00 58.87 61.02 1jsa n SER 53 Cb 0.26 -0.59 0.27 0.00 -1.01 0.00 0.00 64.21 63.14 1jsa n SER 53 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jsa h LYS 54 N 0.00 0.00 0.12 1.43 1.57 -1.76 -3.19 116.57 114.74 1jsa h LYS 54 Ca 0.83 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 59.30 1jsa h LYS 54 Cb 2.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.14 1jsa h LYS 54 CO -0.33 0.46 -1.56 0.74 -0.57 0.00 0.00 179.45 178.19 1jsa h PHE 55 N 0.00 0.45 -3.19 -1.35 0.04 0.35 -3.46 116.94 109.79 1jsa h PHE 55 Ca -0.00 -0.33 -0.57 0.00 2.80 0.00 0.00 57.97 59.87 1jsa h PHE 55 Cb 0.99 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 1jsa h PHE 55 CO 0.00 1.40 -0.28 -0.06 -0.60 0.00 0.00 178.31 178.77 1jsa s PHE 56 N -2.61 3.47 0.00 -0.55 0.08 -0.59 -5.04 117.98 112.73 1jsa s PHE 56 Ca -0.10 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.55 1jsa s PHE 56 Cb 0.07 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1jsa s PHE 56 CO 0.85 0.40 0.84 -2.30 -0.10 0.00 0.00 175.22 174.90 1jsa n PRO 57 N -0.03 0.00 -1.24 0.24 -0.02 -1.26 -4.74 135.00 127.94 1jsa n PRO 57 Ca -0.02 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1jsa n PRO 57 Cb 0.52 -1.34 -0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1jsa n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1jsa n GLU 58 N -1.89 0.26 0.00 -0.52 2.13 -1.26 -4.97 120.64 114.38 1jsa n GLU 58 Ca 0.00 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.20 1jsa n GLU 58 Cb 0.00 0.42 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jsa n ALA 59 N -0.29 0.00 -3.10 4.31 0.00 -1.26 -5.01 120.51 115.15 1jsa n ALA 59 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1jsa n ALA 59 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 0.94 0.00 0.00 8.00 -1.24 -4.90 116.55 119.35 1jsa n ASP 60 Ca 0.00 -2.96 0.01 0.00 0.71 0.00 0.00 54.79 52.54 1jsa n ASP 60 Cb 0.00 -0.60 0.03 0.00 -0.02 0.00 0.00 41.12 40.53 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 0.22 0.19 0.22 -0.24 -0.04 -1.26 -2.87 135.00 131.22 1jsa n PRO 61 Ca 0.22 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1jsa n PRO 61 Cb 0.69 -1.08 0.50 0.00 -0.04 0.00 0.00 33.50 33.57 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jsa h LYS 62 N 0.00 0.00 0.03 0.54 1.57 -1.94 0.69 116.57 117.46 1jsa h LYS 62 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jsa h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jsa h LYS 62 CO 0.00 0.22 -0.01 0.00 -0.57 0.00 0.00 179.45 179.09 1jsa h ALA 63 N 1.78 -0.03 0.00 3.86 0.00 -1.85 -2.25 119.26 120.77 1jsa h ALA 63 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1jsa h ALA 63 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1jsa h ALA 63 CO 0.03 -0.19 -0.70 -0.92 0.00 0.00 0.00 179.25 177.48 1jsa h TYR 64 N -0.70 0.00 0.00 0.00 5.03 -1.78 -2.57 116.97 116.95 1jsa h TYR 64 Ca -0.00 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.22 1jsa h TYR 64 Cb 0.64 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1jsa h TYR 64 CO 0.15 0.70 -0.43 0.00 -1.32 0.00 0.00 178.16 177.25 1jsa h ALA 65 N 1.30 0.91 0.00 1.82 0.00 0.33 -2.95 119.26 120.67 1jsa h ALA 65 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1jsa h ALA 65 Cb 1.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jsa h ALA 65 CO 0.09 0.54 -0.86 1.96 0.00 0.00 0.00 179.25 180.99 1jsa h GLN 66 N 0.00 0.00 -0.02 0.00 4.20 -1.35 -3.33 115.11 114.61 1jsa h GLN 66 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1jsa h GLN 66 Cb 1.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1jsa h GLN 66 CO 0.06 0.00 -0.86 0.45 -0.67 0.00 0.00 178.83 177.80 1jsa h HIS 67 N 0.00 0.49 0.00 2.96 3.86 -1.29 -2.99 115.15 118.17 1jsa h HIS 67 Ca 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1jsa h HIS 67 Cb 0.86 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1jsa h HIS 67 CO 0.00 1.05 0.00 0.28 0.86 0.00 0.00 177.93 180.12 1jsa n VAL 68 N -3.74 1.23 0.00 2.45 0.31 -1.16 -3.42 118.33 114.01 1jsa n VAL 68 Ca -0.05 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1jsa n VAL 68 Cb 0.79 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.67 0.00 0.29 3.52 7.35 -1.13 -2.94 117.46 122.88 1jsa n PHE 69 Ca 0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.79 1jsa n PHE 69 Cb 0.13 -0.02 0.41 0.00 0.35 0.00 0.00 39.48 40.35 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 0.00 -4.13 2.43 -1.75 1.17 114.38 112.10 1jsa h ARG 70 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1jsa h ARG 70 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1jsa h ARG 70 CO 0.00 0.00 -0.31 0.77 -1.51 0.00 0.00 179.97 178.92 1jsa h SER 71 N 0.00 0.00 -0.23 -3.80 0.02 -1.56 -3.34 113.55 104.64 1jsa h SER 71 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1jsa h SER 71 Cb 1.13 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.38 1jsa h SER 71 CO 0.00 0.31 -0.73 0.33 -1.14 0.00 0.00 176.83 175.60 1jsa n PHE 72 N -3.85 -0.26 -2.04 3.45 7.35 0.39 -4.69 117.46 117.81 1jsa n PHE 72 Ca -0.01 -1.94 -0.00 0.00 -0.76 0.00 0.00 57.45 54.73 1jsa n PHE 72 Cb 0.39 0.59 -0.00 0.00 0.35 0.00 0.00 39.48 40.81 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jsa n ASP 73 N -1.03 -0.01 -1.66 -2.13 2.03 -0.14 -4.86 116.55 108.75 1jsa n ASP 73 Ca -0.04 -1.55 0.06 0.00 0.52 0.00 0.00 54.79 53.77 1jsa n ASP 73 Cb 0.84 -0.08 0.34 0.00 -0.72 0.00 0.00 41.12 41.50 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jsa n ALA 74 N 0.04 3.61 -1.10 -1.67 0.00 -1.26 -4.23 120.51 115.91 1jsa n ALA 74 Ca -0.02 -1.60 -0.16 0.00 0.00 0.00 0.00 53.44 51.66 1jsa n ALA 74 Cb 0.64 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 0.59 5.69 -3.74 0.00 6.94 -1.26 -4.76 115.26 118.72 1jsa n ASN 75 Ca 0.24 -2.73 -0.30 0.00 -0.02 0.00 0.00 54.58 51.77 1jsa n ASN 75 Cb 1.03 -1.32 0.02 0.00 -2.36 0.00 0.00 39.78 37.15 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 76 N 1.80 -5.19 0.00 0.53 7.64 -1.26 -4.85 113.62 112.29 1jsa n SER 76 Ca 0.40 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1jsa n SER 76 Cb 0.75 -2.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jsa n ASP 77 N -2.42 0.00 0.00 6.43 2.03 -1.26 -5.01 116.55 116.32 1jsa n ASP 77 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1jsa n ASP 77 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jsa n GLY 78 N 1.17 2.40 3.13 0.27 0.00 -1.26 -4.91 105.19 106.00 1jsa n GLY 78 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -1.59 0.19 -0.19 2.61 -4.23 -1.26 -4.74 115.64 106.43 1jsa s THR 79 Ca 0.00 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1jsa s THR 79 Cb 0.00 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 1jsa s THR 79 CO 0.00 -0.86 0.14 -0.76 -0.54 0.00 0.00 174.62 172.59 1jsa s LEU 80 N -2.90 4.23 0.30 4.79 1.43 -1.07 -4.93 118.68 120.53 1jsa s LEU 80 Ca 0.07 0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1jsa s LEU 80 Cb 0.07 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 1jsa s LEU 80 CO -0.10 0.20 0.63 -0.62 0.23 0.00 0.00 176.35 176.69 1jsa s ASP 81 N 0.23 6.58 0.38 2.29 2.15 -1.26 -2.76 116.67 124.27 1jsa s ASP 81 Ca 0.09 0.97 0.21 0.00 0.43 0.00 0.00 52.55 54.25 1jsa s ASP 81 Cb -0.11 -2.25 1.26 0.00 -0.30 0.00 0.00 42.92 41.52 1jsa s ASP 81 CO -0.01 -0.20 1.63 0.15 -0.17 0.00 0.00 175.17 176.58 1jsa h PHE 82 N 1.99 0.77 0.05 -5.34 3.04 -1.97 0.62 116.94 116.11 1jsa h PHE 82 Ca -0.47 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.51 1jsa h PHE 82 Cb 1.18 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.50 1jsa h PHE 82 CO 0.60 -0.25 -0.03 -0.22 -2.02 0.00 0.00 178.31 176.39 1jsa h LYS 83 N 0.17 -0.07 -1.00 1.11 3.11 -1.99 -0.99 116.57 116.91 1jsa h LYS 83 Ca 0.79 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.84 1jsa h LYS 83 Cb 2.10 0.02 -0.10 0.00 -1.00 0.00 0.00 32.23 33.24 1jsa h LYS 83 CO -0.58 -0.05 0.62 0.93 -2.81 0.00 0.00 179.45 177.56 1jsa h GLU 84 N -0.09 0.63 -0.69 1.90 5.08 -1.68 0.28 114.58 120.01 1jsa h GLU 84 Ca -0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1jsa h GLU 84 Cb 0.06 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1jsa h GLU 84 CO 0.01 0.42 0.46 -0.92 -1.00 0.00 0.00 179.01 177.97 1jsa h TYR 85 N 0.65 0.77 -0.42 4.33 3.20 0.27 -2.12 116.97 123.65 1jsa h TYR 85 Ca 0.58 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.47 1jsa h TYR 85 Cb 1.06 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1jsa h TYR 85 CO -0.00 0.43 0.27 0.28 -1.64 0.00 0.00 178.16 177.50 1jsa h VAL 86 N 0.78 1.12 0.00 1.81 2.07 0.99 -0.34 116.25 122.68 1jsa h VAL 86 Ca 0.29 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1jsa h VAL 86 Cb 0.15 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1jsa h VAL 86 CO -0.09 0.11 -0.21 0.40 0.02 0.00 0.00 177.57 177.81 1jsa h ILE 87 N 0.56 0.50 0.53 4.57 1.08 -1.33 -2.60 117.51 120.82 1jsa h ILE 87 Ca 0.15 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.60 1jsa h ILE 87 Cb -0.04 0.50 0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1jsa h ILE 87 CO -0.03 0.00 -0.25 0.00 -0.69 0.00 0.00 178.15 177.17 1jsa h ALA 88 N 0.53 -0.83 -0.96 1.87 0.00 -1.35 -1.86 119.26 116.66 1jsa h ALA 88 Ca 0.06 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1jsa h ALA 88 Cb 0.42 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1jsa h ALA 88 CO -0.19 -0.78 -0.53 -0.11 0.00 0.00 0.00 179.25 177.64 1jsa n LEU 89 N -4.73 -0.94 0.23 0.00 -0.00 -0.15 0.54 117.00 111.94 1jsa n LEU 89 Ca -0.09 1.70 0.15 0.00 -0.00 0.00 0.00 56.01 57.78 1jsa n LEU 89 Cb 0.28 -0.25 0.53 0.00 -0.00 0.00 0.00 43.42 43.98 1jsa n LEU 89 CO 0.21 -1.41 0.93 1.12 -0.00 0.00 0.00 177.39 178.24 1jsa h HIS 90 N 0.00 0.00 0.00 1.96 2.07 -1.57 -2.90 115.15 114.71 1jsa h HIS 90 Ca 0.19 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.67 1jsa h HIS 90 Cb 0.43 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.40 1jsa h HIS 90 CO -0.96 0.00 -0.20 0.52 -3.07 0.00 0.00 177.93 174.21 1jsa h MET 91 N 0.00 0.00 -0.09 5.12 2.86 0.97 2.39 114.93 126.18 1jsa h MET 91 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jsa h MET 91 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1jsa h MET 91 CO 0.00 0.20 0.00 2.41 1.06 0.00 0.00 176.91 180.58 1jsa n THR 92 N -3.99 0.00 0.00 2.22 -1.04 -0.99 -4.16 114.28 106.32 1jsa n THR 92 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1jsa n THR 92 Cb 0.28 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1jsa n THR 92 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jsa n SER 93 N -0.44 0.00 -4.38 8.00 3.41 -0.37 -5.07 113.62 114.76 1jsa n SER 93 Ca 0.00 0.00 -0.54 0.00 -0.26 0.00 0.00 58.87 58.07 1jsa n SER 93 Cb 0.02 0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa n ALA 94 N -2.12 0.74 -2.55 7.33 0.00 0.79 -4.90 120.51 119.81 1jsa n ALA 94 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 1jsa n ALA 94 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 1jsa n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jsa s GLY 95 N 6.74 1.41 0.00 0.00 0.00 -1.26 -4.84 107.32 109.37 1jsa s GLY 95 Ca 1.13 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1jsa s GLY 95 CO 0.56 -0.83 0.00 0.58 0.00 0.00 0.00 173.10 173.41 1jsa n LYS 96 N -1.89 0.00 -4.11 2.90 2.85 -1.26 -4.89 118.16 111.76 1jsa n LYS 96 Ca -0.03 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.94 1jsa n LYS 96 Cb 0.56 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.90 1jsa n LYS 96 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1jsa n THR 97 N 0.00 -2.11 -3.23 0.58 -1.04 -1.26 -4.92 114.28 102.30 1jsa n THR 97 Ca 0.00 -0.40 0.04 0.00 -2.04 0.00 0.00 64.05 61.65 1jsa n THR 97 Cb 0.00 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 66.47 1jsa n THR 97 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1jsa s ASN 98 N -4.15 -0.76 -0.10 8.00 2.47 -1.26 -5.08 114.94 114.05 1jsa s ASN 98 Ca 0.16 0.62 -0.08 0.00 0.42 0.00 0.00 52.86 53.98 1jsa s ASN 98 Cb -0.09 1.69 0.03 0.00 -1.45 0.00 0.00 41.25 41.44 1jsa s ASN 98 CO 0.93 -0.14 0.15 1.67 -3.72 0.00 0.00 177.10 175.98 1jsa n GLN 99 N 5.35 -4.86 0.00 0.43 7.27 -1.26 -4.99 117.38 119.31 1jsa n GLN 99 Ca -0.06 3.59 0.00 0.00 0.07 0.00 0.00 57.00 60.60 1jsa n GLN 99 Cb 0.53 -4.92 0.00 0.00 2.41 0.00 0.00 30.24 28.26 1jsa n GLN 99 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1jsa n LYS 100 N 1.79 0.00 0.20 3.69 4.81 -1.26 -4.98 118.16 122.41 1jsa n LYS 100 Ca -0.25 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.04 1jsa n LYS 100 Cb 0.39 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.37 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1jsa h LEU 101 N 0.00 -0.83 -1.85 3.14 3.38 -1.95 -1.23 115.31 115.96 1jsa h LEU 101 Ca 0.00 0.07 0.49 0.00 0.09 0.00 0.00 57.88 58.53 1jsa h LEU 101 Cb 0.00 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1jsa h LEU 101 CO 0.00 -0.44 1.16 1.05 0.09 0.00 0.00 178.44 180.30 1jsa h GLU 102 N -0.65 0.02 0.07 1.13 4.11 -1.92 1.49 114.58 118.83 1jsa h GLU 102 Ca -0.01 -0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.14 1jsa h GLU 102 Cb 0.59 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.85 1jsa h GLU 102 CO -0.06 0.02 -1.13 2.35 0.07 0.00 0.00 179.01 180.25 1jsa h TRP 103 N 0.02 0.86 -0.03 2.06 7.01 -1.63 -3.21 115.95 121.03 1jsa h TRP 103 Ca 0.83 -0.52 -0.07 0.00 2.11 0.00 0.00 58.89 61.24 1jsa h TRP 103 Cb 3.15 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 30.13 1jsa h TRP 103 CO -0.00 1.36 -0.32 0.00 -2.79 0.00 0.00 178.44 176.69 1jsa h ALA 104 N 0.46 1.42 -1.49 2.65 0.00 0.25 -2.67 119.26 119.87 1jsa h ALA 104 Ca -0.14 -0.31 0.43 0.00 0.00 0.00 0.00 54.91 54.89 1jsa h ALA 104 Cb 1.80 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1jsa h ALA 104 CO 0.21 0.43 1.07 0.35 0.00 0.00 0.00 179.25 181.31 1jsa h PHE 105 N 0.04 0.02 0.08 0.00 3.57 -1.07 0.70 116.94 120.30 1jsa h PHE 105 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1jsa h PHE 105 Cb 0.59 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.34 1jsa h PHE 105 CO 0.00 -0.00 -0.54 1.03 -2.23 0.00 0.00 178.31 176.57 1jsa h SER 106 N 0.01 0.28 -0.41 0.41 0.87 -1.66 -3.00 113.55 110.05 1jsa h SER 106 Ca 0.72 -0.96 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 1jsa h SER 106 Cb 2.85 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 64.70 1jsa h SER 106 CO -0.02 1.26 -0.15 0.25 -0.53 0.00 0.00 176.83 177.64 1jsa h LEU 107 N -0.62 0.88 -1.31 2.23 7.12 -0.53 -2.24 115.31 120.84 1jsa h LEU 107 Ca -0.10 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.62 1jsa h LEU 107 Cb 1.40 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1jsa h LEU 107 CO 0.08 1.03 0.00 0.22 -0.13 0.00 0.00 178.44 179.64 1jsa h TYR 108 N 0.78 0.00 -2.81 1.25 5.03 0.07 -3.29 116.97 118.01 1jsa h TYR 108 Ca 0.12 0.00 -0.76 0.00 2.58 0.00 0.00 58.73 60.67 1jsa h TYR 108 Cb 0.68 0.00 -0.32 0.00 1.55 0.00 0.00 36.73 38.64 1jsa h TYR 108 CO 0.04 0.00 0.40 -3.47 -1.32 0.00 0.00 178.16 173.81 1jsa n ASP 109 N -2.74 5.66 -0.29 -2.11 -0.08 -0.84 -4.70 116.55 111.44 1jsa n ASP 109 Ca 0.01 -3.39 -0.08 0.00 -1.51 0.00 0.00 54.79 49.82 1jsa n ASP 109 Cb 0.25 -1.13 -0.07 0.00 2.34 0.00 0.00 41.12 42.51 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jsa n VAL 110 N 1.33 -0.47 0.33 5.18 0.31 -1.24 -0.99 118.33 122.79 1jsa n VAL 110 Ca 0.27 1.92 -0.18 0.00 -0.01 0.00 0.00 64.34 66.34 1jsa n VAL 110 Cb 0.35 -2.40 -0.09 0.00 -0.91 0.00 0.00 33.84 30.79 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 -1.17 -0.79 4.52 2.03 -1.91 -3.48 116.42 115.61 1jsa h ASP 111 Ca 0.11 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1jsa h ASP 111 Cb 0.28 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1jsa h ASP 111 CO -0.65 -0.64 0.00 0.61 -1.03 0.00 0.00 179.24 177.53 1jsa n GLY 112 N -1.55 -0.03 0.52 7.15 0.00 -0.16 -5.05 105.19 106.07 1jsa n GLY 112 Ca -0.12 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.37 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N -0.09 0.32 -0.09 1.61 0.23 -1.26 -4.97 115.26 111.00 1jsa n ASN 113 Ca 0.00 -2.13 -0.01 0.00 -0.53 0.00 0.00 54.58 51.91 1jsa n ASN 113 Cb 0.00 -0.23 -0.01 0.00 -2.08 0.00 0.00 39.78 37.46 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N -0.12 0.36 3.29 4.83 0.00 -1.26 -4.97 105.19 107.32 1jsa n GLY 114 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -1.61 -0.00 -0.07 2.61 -4.23 -1.26 -4.23 115.64 106.84 1jsa s THR 115 Ca 0.00 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.41 1jsa s THR 115 Cb 0.00 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.23 1jsa s THR 115 CO 0.00 0.01 0.27 -0.63 -0.54 0.00 0.00 174.62 173.73 1jsa s ILE 116 N 0.39 5.27 0.41 2.99 1.01 0.68 -4.86 121.20 127.09 1jsa s ILE 116 Ca -0.01 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.19 1jsa s ILE 116 Cb -0.04 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1jsa s ILE 116 CO -0.01 0.59 0.11 -0.55 0.00 0.00 0.00 174.94 175.07 1jsa s SER 117 N -0.95 2.82 0.05 3.58 0.15 -1.26 -2.17 113.70 115.92 1jsa s SER 117 Ca 0.19 -1.64 -0.35 0.00 0.70 0.00 0.00 55.95 54.85 1jsa s SER 117 Cb -0.14 0.44 -0.19 0.00 -1.71 0.00 0.00 66.02 64.42 1jsa s SER 117 CO 0.08 -0.89 1.50 0.50 1.20 0.00 0.00 173.24 175.64 1jsa h LYS 118 N 1.80 -1.22 -0.81 5.44 3.64 -1.99 -2.33 116.57 121.11 1jsa h LYS 118 Ca -0.36 0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1jsa h LYS 118 Cb 1.27 0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 33.22 1jsa h LYS 118 CO 0.59 -0.81 -0.25 -0.97 -2.27 0.00 0.00 179.45 175.74 1jsa h ASN 119 N -1.28 -0.92 0.15 4.20 -0.00 -1.99 -0.00 115.58 115.74 1jsa h ASN 119 Ca -0.13 0.25 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 1jsa h ASN 119 Cb 0.97 0.55 -0.03 0.00 -0.00 0.00 0.00 38.32 39.81 1jsa h ASN 119 CO 0.21 -0.28 -0.29 -0.33 -0.00 0.00 0.00 177.43 176.74 1jsa h GLU 120 N -0.03 -0.51 -0.12 6.67 5.08 -1.92 0.22 114.58 123.97 1jsa h GLU 120 Ca 0.36 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 1jsa h GLU 120 Cb 0.59 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jsa h GLU 120 CO -0.84 -0.34 0.24 0.28 -1.00 0.00 0.00 179.01 177.35 1jsa h VAL 121 N -0.53 0.21 -0.44 3.13 2.07 -0.50 -0.63 116.25 119.56 1jsa h VAL 121 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1jsa h VAL 121 Cb 0.55 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1jsa h VAL 121 CO -0.15 0.00 0.10 0.25 0.02 0.00 0.00 177.57 177.79 1jsa h LEU 122 N 0.00 0.68 0.13 2.57 6.46 0.69 -2.18 115.31 123.67 1jsa h LEU 122 Ca 0.06 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1jsa h LEU 122 Cb 0.54 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1jsa h LEU 122 CO -0.00 0.74 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.41 1jsa h GLU 123 N 0.59 -0.17 -1.04 1.25 4.81 -0.99 0.15 114.58 119.18 1jsa h GLU 123 Ca 0.14 0.01 0.31 0.00 -0.13 0.00 0.00 59.36 59.69 1jsa h GLU 123 Cb 0.33 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.61 1jsa h GLU 123 CO 0.00 0.23 0.62 0.82 -0.73 0.00 0.00 179.01 179.95 1jsa h ILE 124 N -0.63 0.37 0.02 2.32 1.08 -1.49 1.22 117.51 120.41 1jsa h ILE 124 Ca -0.02 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.23 1jsa h ILE 124 Cb 0.48 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1jsa h ILE 124 CO 0.03 0.07 -0.37 0.58 -0.69 0.00 0.00 178.15 177.77 1jsa h VAL 125 N 0.37 1.55 0.11 1.67 2.07 -1.23 -2.65 116.25 118.15 1jsa h VAL 125 Ca 0.70 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1jsa h VAL 125 Cb 1.63 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1jsa h VAL 125 CO -0.52 0.58 -0.07 0.74 0.02 0.00 0.00 177.57 178.33 1jsa h THR 126 N -0.48 0.85 -0.02 2.57 2.02 0.23 0.20 112.91 118.28 1jsa h THR 126 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1jsa h THR 126 Cb 1.16 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 1jsa h THR 126 CO 0.07 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.66 1jsa h ALA 127 N 0.71 -0.42 -0.65 6.16 0.00 0.12 -1.28 119.26 123.90 1jsa h ALA 127 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1jsa h ALA 127 Cb 0.15 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1jsa h ALA 127 CO 0.01 -0.81 0.22 0.82 0.00 0.00 0.00 179.25 179.49 1jsa h ILE 128 N -0.44 0.70 -1.01 0.00 2.04 -1.25 0.16 117.51 117.71 1jsa h ILE 128 Ca 0.07 -0.13 0.23 0.00 1.00 0.00 0.00 64.86 66.03 1jsa h ILE 128 Cb 0.54 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 1jsa h ILE 128 CO -0.27 0.07 0.62 -0.26 0.00 0.00 0.00 178.15 178.32 1jsa h PHE 129 N 0.38 0.88 0.11 1.37 -1.00 0.20 0.12 116.94 119.01 1jsa h PHE 129 Ca 0.34 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.15 1jsa h PHE 129 Cb 0.47 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1jsa h PHE 129 CO -0.19 0.13 -0.10 0.87 -1.61 0.00 0.00 178.31 177.40 1jsa h LYS 130 N 0.57 -0.23 -0.99 1.51 1.79 -0.14 0.86 116.57 119.95 1jsa h LYS 130 Ca 0.59 0.02 0.29 0.00 -2.18 0.00 0.00 60.65 59.36 1jsa h LYS 130 Cb 1.20 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1jsa h LYS 130 CO -0.36 -0.15 0.83 1.98 -1.08 0.00 0.00 179.45 180.67 1jsa h MET 131 N -0.24 0.00 -5.89 3.15 4.05 -0.59 -3.31 114.93 112.10 1jsa h MET 131 Ca 0.00 0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 58.84 1jsa h MET 131 Cb 0.22 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 1jsa h MET 131 CO -0.02 0.00 -0.15 0.42 0.23 0.00 0.00 176.91 177.39 1jsa s ILE 132 N -4.77 5.08 0.27 1.77 1.01 0.30 -4.40 121.20 120.46 1jsa s ILE 132 Ca -0.04 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 1jsa s ILE 132 Cb 0.20 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 1jsa s ILE 132 CO 0.68 0.44 1.30 -0.44 0.00 0.00 0.00 174.94 176.93 1jsa s SER 133 N -0.18 6.86 0.08 3.58 0.01 -1.26 -4.85 113.70 117.94 1jsa s SER 133 Ca 0.25 2.54 -0.34 0.00 1.31 0.00 0.00 55.95 59.72 1jsa s SER 133 Cb -0.16 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.27 1jsa s SER 133 CO 0.12 -0.51 1.60 -0.65 0.41 0.00 0.00 173.24 174.21 1jsa h PRO 134 N 4.28 -0.93 -1.50 12.44 0.10 -1.89 0.36 132.00 144.87 1jsa h PRO 134 Ca -0.47 0.06 0.46 0.00 0.10 0.00 0.00 66.00 66.15 1jsa h PRO 134 Cb 1.22 0.21 -0.10 0.00 0.10 0.00 0.00 31.00 32.43 1jsa h PRO 134 CO 0.71 -0.62 1.03 0.93 0.10 0.00 0.00 178.00 180.15 1jsa h GLU 135 N -0.97 0.06 0.15 1.05 5.08 -2.01 0.64 114.58 118.58 1jsa h GLU 135 Ca -0.07 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1jsa h GLU 135 Cb 0.80 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1jsa h GLU 135 CO 0.04 0.04 -1.50 -0.44 -1.00 0.00 0.00 179.01 176.14 1jsa h ASP 136 N 0.06 0.48 0.00 1.42 5.19 -1.69 -3.27 116.42 118.60 1jsa h ASP 136 Ca 0.81 -0.89 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1jsa h ASP 136 Cb 2.87 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 42.22 1jsa h ASP 136 CO -0.23 1.67 0.04 0.41 -3.12 0.00 0.00 179.24 178.02 1jsa n THR 137 N -3.81 1.65 0.89 0.35 -1.04 0.21 -0.19 114.28 112.34 1jsa n THR 137 Ca -0.24 0.46 0.11 0.00 -2.04 0.00 0.00 64.05 62.33 1jsa n THR 137 Cb 0.96 -1.46 0.52 0.00 -1.82 0.00 0.00 70.33 68.54 1jsa n THR 137 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 138 N -1.41 0.12 0.03 -2.82 4.76 -0.40 -2.54 118.16 115.91 1jsa n LYS 138 Ca 0.00 0.10 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 1jsa n LYS 138 Cb 0.04 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.03 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jsa n HIS 139 N -1.42 0.31 -1.40 2.13 8.25 0.74 -4.92 115.22 118.91 1jsa n HIS 139 Ca 0.07 0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.25 1jsa n HIS 139 Cb 0.23 -0.52 0.05 0.00 1.12 0.00 0.00 29.99 30.88 1jsa n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jsa n LEU 140 N -1.81 1.24 -4.70 2.41 7.99 -1.05 -4.82 117.00 116.25 1jsa n LEU 140 Ca 0.05 0.68 -0.43 0.00 -0.01 0.00 0.00 56.01 56.30 1jsa n LEU 140 Cb 0.39 -1.22 -0.02 0.00 -0.11 0.00 0.00 43.42 42.46 1jsa n LEU 140 CO 0.34 -2.91 1.04 -2.65 -1.51 0.00 0.00 177.39 171.70 1jsa n PRO 141 N -0.49 2.23 0.00 3.23 -0.01 -1.26 -4.75 135.00 133.95 1jsa n PRO 141 Ca 0.11 0.79 0.00 0.00 -0.01 0.00 0.00 63.50 64.39 1jsa n PRO 141 Cb 0.49 -2.46 0.00 0.00 -0.01 0.00 0.00 33.50 31.52 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1jsa n GLU 142 N 1.58 0.00 0.00 -0.52 0.00 -1.26 0.26 120.64 120.70 1jsa n GLU 142 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.36 1jsa n GLU 142 Cb 0.34 -1.48 0.09 0.00 0.00 0.00 0.00 31.44 30.39 1jsa n GLU 142 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jsa n ASP 143 N -0.87 2.85 -2.65 4.31 8.00 -1.26 -4.76 116.55 122.16 1jsa n ASP 143 Ca 0.00 -1.92 -0.03 0.00 0.71 0.00 0.00 54.79 53.54 1jsa n ASP 143 Cb 0.00 0.06 0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1jsa n GLU 144 N 1.16 0.02 -0.47 -1.24 0.28 0.14 -4.93 120.64 115.60 1jsa n GLU 144 Ca 0.13 -0.55 0.08 0.00 -0.16 0.00 0.00 57.16 56.65 1jsa n GLU 144 Cb 0.57 0.32 0.26 0.00 1.43 0.00 0.00 31.44 34.02 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1jsa n ASN 145 N 2.29 3.83 -3.98 -1.84 2.04 -1.22 -4.36 115.26 112.01 1jsa n ASN 145 Ca 0.08 -3.06 -0.08 0.00 -0.44 0.00 0.00 54.58 51.08 1jsa n ASN 145 Cb 0.68 -0.55 -0.09 0.00 -2.53 0.00 0.00 39.78 37.28 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1jsa s THR 146 N -2.86 0.18 0.22 5.53 -4.23 -1.26 -4.93 115.64 108.29 1jsa s THR 146 Ca 0.43 -1.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1jsa s THR 146 Cb 0.35 -1.33 0.18 0.00 1.34 0.00 0.00 72.50 73.03 1jsa s THR 146 CO 0.08 -0.80 1.85 1.55 -0.54 0.00 0.00 174.62 176.76 1jsa h PRO 147 N 3.11 0.87 0.00 3.99 0.13 -1.94 0.06 132.00 138.21 1jsa h PRO 147 Ca -0.34 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jsa h PRO 147 Cb 1.17 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jsa h PRO 147 CO 0.60 0.57 0.00 1.49 -0.23 0.00 0.00 178.00 180.43 1jsa h GLU 148 N 0.89 0.00 0.05 0.86 4.81 -1.96 -1.88 114.58 117.35 1jsa h GLU 148 Ca 0.32 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.23 1jsa h GLU 148 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1jsa h GLU 148 CO -0.14 0.00 -1.84 1.63 -0.73 0.00 0.00 179.01 177.92 1jsa n LYS 149 N -2.72 0.68 0.11 1.92 4.76 -0.21 -4.26 118.16 118.45 1jsa n LYS 149 Ca 0.02 0.28 -0.20 0.00 -2.87 0.00 0.00 58.31 55.53 1jsa n LYS 149 Cb 0.30 -1.75 -0.15 0.00 -1.84 0.00 0.00 35.03 31.58 1jsa n LYS 149 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1jsa h ARG 150 N 0.03 0.40 -1.23 1.97 2.43 -0.98 -3.20 114.38 113.79 1jsa h ARG 150 Ca -0.35 -0.68 0.35 0.00 -0.81 0.00 0.00 59.98 58.50 1jsa h ARG 150 Cb 2.03 0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 31.77 1jsa h ARG 150 CO 0.08 1.31 0.87 0.00 -1.51 0.00 0.00 179.97 180.72 1jsa h ALA 151 N 0.35 3.04 -0.05 2.80 0.00 -1.53 2.65 119.26 126.53 1jsa h ALA 151 Ca -0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1jsa h ALA 151 Cb 2.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1jsa h ALA 151 CO 0.23 -1.42 -0.57 0.93 0.00 0.00 0.00 179.25 178.42 1jsa h GLU 152 N 0.06 0.15 0.16 0.00 3.07 -1.73 -1.89 114.58 114.39 1jsa h GLU 152 Ca 0.61 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.36 1jsa h GLU 152 Cb 2.29 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 1jsa h GLU 152 CO -0.06 0.68 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.93 1jsa h LYS 153 N 0.12 -0.21 0.00 2.33 1.63 0.46 0.29 116.57 121.19 1jsa h LYS 153 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jsa h LYS 153 Cb 1.04 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1jsa h LYS 153 CO 0.08 -0.14 0.00 -0.89 -3.45 0.00 0.00 179.45 175.06 1jsa n ILE 154 N -2.72 0.00 -0.26 2.00 5.41 -0.87 0.19 119.36 123.11 1jsa n ILE 154 Ca -0.03 1.28 0.32 0.00 1.00 0.00 0.00 62.75 65.32 1jsa n ILE 154 Cb 0.08 -2.01 0.56 0.00 -0.71 0.00 0.00 39.64 37.56 1jsa n ILE 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1jsa h TRP 155 N 0.00 0.00 0.00 1.39 2.91 -1.48 2.32 115.95 121.09 1jsa h TRP 155 Ca 0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1jsa h TRP 155 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1jsa h TRP 155 CO -0.22 0.00 -0.18 0.78 -1.03 0.00 0.00 178.44 177.78 1jsa h GLY 156 N 0.00 0.00 0.00 2.65 0.00 0.36 -2.10 103.07 103.98 1jsa h GLY 156 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1jsa h GLY 156 CO -0.01 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.50 1jsa n PHE 157 N -3.79 0.00 -0.34 5.60 1.16 0.78 -3.41 117.46 117.46 1jsa n PHE 157 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.68 1jsa n PHE 157 Cb 0.29 0.00 0.31 0.00 -1.61 0.00 0.00 39.48 38.47 1jsa n PHE 157 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1jsa h PHE 158 N 0.00 1.04 0.00 2.97 0.04 -1.77 -3.44 116.94 115.79 1jsa h PHE 158 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1jsa h PHE 158 Cb 0.00 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.83 1jsa h PHE 158 CO 0.00 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.42 1jsa n GLY 159 N -1.35 0.99 1.32 -1.45 0.00 -0.79 -4.90 105.19 99.02 1jsa n GLY 159 Ca 0.22 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 -2.77 0.00 1.61 5.02 -1.26 -4.94 118.16 115.82 1jsa n LYS 160 Ca 0.00 2.15 0.00 0.00 -2.02 0.00 0.00 58.31 58.44 1jsa n LYS 160 Cb 0.00 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 1jsa n LYS 160 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jsa n LYS 161 N -4.06 0.00 0.13 1.97 4.76 -1.26 -4.86 118.16 114.84 1jsa n LYS 161 Ca -0.05 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.29 1jsa n LYS 161 Cb 0.63 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.77 1jsa n LYS 161 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1jsa h ASP 162 N 0.00 -0.77 -2.67 4.39 1.82 -2.03 -3.13 116.42 114.03 1jsa h ASP 162 Ca 0.00 0.07 -0.79 0.00 -0.39 0.00 0.00 57.03 55.92 1jsa h ASP 162 Cb 0.00 0.26 -0.29 0.00 0.68 0.00 0.00 39.33 39.98 1jsa h ASP 162 CO 0.00 -0.34 0.70 0.47 -1.61 0.00 0.00 179.24 178.46 1jsa n ASP 163 N -4.01 6.41 -1.95 2.28 8.00 -1.26 -4.89 116.55 121.13 1jsa n ASP 163 Ca -0.06 -3.50 -0.00 0.00 0.71 0.00 0.00 54.79 51.94 1jsa n ASP 163 Cb 0.24 -1.18 -0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1jsa n ASP 163 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jsa n ASP 164 N 0.88 0.94 -3.75 -2.24 5.68 -1.18 -4.58 116.55 112.29 1jsa n ASP 164 Ca 0.32 -1.28 -0.27 0.00 -0.50 0.00 0.00 54.79 53.06 1jsa n ASP 164 Cb 0.32 -0.20 -0.17 0.00 -1.14 0.00 0.00 41.12 39.93 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jsa s LYS 165 N 1.71 0.69 -0.05 0.11 3.01 -1.26 -4.74 119.74 119.22 1jsa s LYS 165 Ca 0.01 -0.41 -0.30 0.00 -1.01 0.00 0.00 55.97 54.26 1jsa s LYS 165 Cb 0.00 -2.05 -0.04 0.00 -1.01 0.00 0.00 37.83 34.73 1jsa s LYS 165 CO 0.00 -0.61 1.31 -1.17 0.51 0.00 0.00 175.35 175.39 1jsa s LEU 166 N 1.85 4.28 0.26 3.17 2.96 -0.92 -4.70 118.68 125.57 1jsa s LEU 166 Ca -0.01 1.94 0.06 0.00 -0.22 0.00 0.00 54.13 55.90 1jsa s LEU 166 Cb -0.17 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1jsa s LEU 166 CO -0.08 -0.68 0.34 0.42 -1.32 0.00 0.00 176.35 175.04 1jsa s THR 167 N 2.55 4.91 0.31 3.68 -4.23 -1.26 -0.23 115.64 121.37 1jsa s THR 167 Ca 0.60 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1jsa s THR 167 Cb -0.27 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.16 1jsa s THR 167 CO 0.23 -0.31 1.82 -0.08 -0.54 0.00 0.00 174.62 175.75 1jsa h GLU 168 N 1.19 0.84 -0.61 3.99 4.57 -1.96 0.61 114.58 123.21 1jsa h GLU 168 Ca -0.50 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 57.71 1jsa h GLU 168 Cb 1.24 -0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 29.57 1jsa h GLU 168 CO 0.60 0.55 0.27 0.87 -1.18 0.00 0.00 179.01 180.12 1jsa h LYS 169 N 0.86 0.48 0.11 1.92 1.79 -1.94 -3.05 116.57 116.73 1jsa h LYS 169 Ca 0.51 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.61 1jsa h LYS 169 Cb 0.67 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1jsa h LYS 169 CO -0.29 0.32 -1.87 0.93 -1.08 0.00 0.00 179.45 177.45 1jsa h GLU 170 N 0.49 0.23 -0.40 3.15 3.07 -1.70 -3.34 114.58 116.07 1jsa h GLU 170 Ca 0.30 -0.39 0.12 0.00 -0.50 0.00 0.00 59.36 58.88 1jsa h GLU 170 Cb 0.30 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1jsa h GLU 170 CO -0.25 1.08 0.93 0.35 -1.40 0.00 0.00 179.01 179.71 1jsa h PHE 171 N 0.06 0.00 0.04 4.33 3.57 0.29 2.04 116.94 127.27 1jsa h PHE 171 Ca -0.37 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 60.82 1jsa h PHE 171 Cb 2.04 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.74 1jsa h PHE 171 CO 0.06 0.00 -1.78 -0.89 -2.23 0.00 0.00 178.31 173.47 1jsa n ILE 172 N -2.94 1.66 -0.09 1.41 5.41 -1.18 -4.16 119.36 119.47 1jsa n ILE 172 Ca 0.09 -0.76 -0.18 0.00 1.00 0.00 0.00 62.75 62.89 1jsa n ILE 172 Cb 1.06 -1.24 -0.11 0.00 -0.71 0.00 0.00 39.64 38.63 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.02 0.00 -0.52 0.38 5.08 0.28 -2.46 114.58 117.37 1jsa h GLU 173 Ca -0.32 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1jsa h GLU 173 Cb 2.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 1jsa h GLU 173 CO 0.08 0.95 1.00 0.78 -1.00 0.00 0.00 179.01 180.82 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 -0.23 1.79 103.07 99.79 1jsa h GLY 174 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.74 1jsa h GLY 174 CO -0.14 0.00 -2.37 2.41 0.00 0.00 0.00 176.54 176.45 1jsa n THR 175 N -2.98 1.37 0.30 4.70 -1.04 -1.25 -4.25 114.28 111.13 1jsa n THR 175 Ca 0.11 -0.80 0.19 0.00 -2.04 0.00 0.00 64.05 61.51 1jsa n THR 175 Cb 1.16 -0.60 0.94 0.00 -1.82 0.00 0.00 70.33 70.01 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jsa h LEU 176 N 0.00 0.00 0.00 -4.42 5.85 0.32 -3.34 115.31 113.72 1jsa h LEU 176 Ca -0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1jsa h LEU 176 Cb 2.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.20 1jsa h LEU 176 CO 0.01 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1jsa n ALA 177 N -2.12 0.00 -2.65 1.25 0.00 -0.46 -4.56 120.51 111.96 1jsa n ALA 177 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1jsa n ALA 177 Cb 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1jsa n ALA 177 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jsa s ASN 178 N -2.19 6.72 0.42 0.00 -0.87 -1.25 -4.90 114.94 112.87 1jsa s ASN 178 Ca 0.00 0.88 0.29 0.00 -1.57 0.00 0.00 52.86 52.46 1jsa s ASN 178 Cb 0.00 -2.37 1.51 0.00 -0.02 0.00 0.00 41.25 40.37 1jsa s ASN 178 CO 0.00 -0.34 1.88 0.11 -2.57 0.00 0.00 177.10 176.17 1jsa h LYS 179 N 7.57 0.00 0.00 -0.60 6.56 -1.80 0.51 116.57 128.81 1jsa h LYS 179 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1jsa h LYS 179 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1jsa h LYS 179 CO 0.80 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 178.58 1jsa n GLU 180 N -2.52 0.13 0.05 3.15 1.02 -1.26 -2.69 120.64 118.52 1jsa n GLU 180 Ca -0.01 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 1jsa n GLU 180 Cb 0.08 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 1jsa n GLU 180 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1jsa n ILE 181 N -1.41 1.00 0.04 -3.67 5.41 0.17 -3.72 119.36 117.18 1jsa n ILE 181 Ca 0.08 -0.65 -0.08 0.00 1.00 0.00 0.00 62.75 63.10 1jsa n ILE 181 Cb 0.23 -0.61 -0.06 0.00 -0.71 0.00 0.00 39.64 38.50 1jsa n ILE 181 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1jsa h LEU 182 N 0.00 -0.17 0.00 1.39 5.85 -1.62 -2.70 115.31 118.06 1jsa h LEU 182 Ca -0.11 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1jsa h LEU 182 Cb 1.40 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1jsa h LEU 182 CO 0.03 0.41 0.00 -1.14 -0.34 0.00 0.00 178.44 177.40 1jsa n ARG 183 N -4.89 0.04 0.00 1.25 3.00 -1.22 -2.68 116.66 112.16 1jsa n ARG 183 Ca -0.06 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1jsa n ARG 183 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1jsa n LEU 184 N -1.39 0.29 0.00 6.15 7.94 -1.21 -4.25 117.00 124.53 1jsa n LEU 184 Ca 0.02 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1jsa n LEU 184 Cb 0.05 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1jsa n LEU 184 CO 0.04 -0.36 0.12 2.30 -1.11 0.00 0.00 177.39 178.38 1jsa n ILE 185 N -2.00 0.00 -2.17 1.96 -6.64 -1.02 -4.64 119.36 104.84 1jsa n ILE 185 Ca 0.00 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.56 1jsa n ILE 185 Cb 0.00 -0.79 -0.03 0.00 -1.44 0.00 0.00 39.64 37.38 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1jsa s GLN 186 N -1.76 4.31 -0.40 6.28 0.74 -1.09 -4.88 119.66 122.86 1jsa s GLN 186 Ca 0.00 2.07 -0.27 0.00 0.05 0.00 0.00 55.36 57.21 1jsa s GLN 186 Cb 0.00 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.76 1jsa s GLN 186 CO 0.00 -0.46 2.35 1.97 -0.55 0.00 0.00 175.29 178.61 1jsa n PHE 187 N 4.11 1.60 1.42 1.67 -1.74 -1.26 -5.07 117.46 118.19 1jsa n PHE 187 Ca 0.12 0.04 0.11 0.00 -0.56 0.00 0.00 57.45 57.16 1jsa n PHE 187 Cb 0.42 -2.66 0.67 0.00 1.52 0.00 0.00 39.48 39.43 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59