#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 1.73 -0.81 1.61 3.84 -1.26 -5.06 114.94 114.99 1jsa s ASN 2 Ca 0.00 -0.83 -0.25 0.00 0.21 0.00 0.00 52.86 51.99 1jsa s ASN 2 Cb 0.00 -0.03 -0.09 0.00 -0.55 0.00 0.00 41.25 40.58 1jsa s ASN 2 CO 0.00 -0.22 2.21 -0.55 -2.79 0.00 0.00 177.10 175.75 1jsa s SER 3 N -2.51 4.46 0.84 -4.21 0.15 -1.26 -4.93 113.70 106.25 1jsa s SER 3 Ca 0.08 -0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.50 1jsa s SER 3 Cb -0.03 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.89 1jsa s SER 3 CO 0.01 -3.32 1.16 -1.59 1.20 0.00 0.00 173.24 170.71 1jsa s LYS 4 N 8.05 1.14 0.00 5.44 -2.85 -1.26 -5.01 119.74 125.25 1jsa s LYS 4 Ca 0.83 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 55.04 1jsa s LYS 4 Cb -0.11 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.58 1jsa s LYS 4 CO 0.06 -1.95 0.00 0.45 0.10 0.00 0.00 175.35 174.02 1jsa n SER 5 N -3.31 0.00 -0.06 0.03 2.88 -1.26 -4.96 113.62 106.93 1jsa n SER 5 Ca 0.15 -0.61 -0.09 0.00 -1.33 0.00 0.00 58.87 56.99 1jsa n SER 5 Cb 0.60 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.13 1jsa n SER 5 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1jsa h GLY 6 N 0.00 0.79 -3.50 0.46 0.00 -2.02 -3.09 103.07 95.71 1jsa h GLY 6 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1jsa h GLY 6 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 176.54 177.22 1jsa n ALA 7 N -2.51 2.47 -1.73 3.60 0.00 -1.26 -4.84 120.51 116.23 1jsa n ALA 7 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1jsa n ALA 7 Cb 0.49 -1.56 0.03 0.00 0.00 0.00 0.00 19.45 18.41 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N 1.74 4.90 0.00 0.00 -0.00 -1.17 -4.43 117.00 118.04 1jsa n LEU 8 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 1jsa n LEU 8 Cb 0.20 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.07 1jsa n LEU 8 CO 0.00 -0.58 0.00 -0.24 -0.00 0.00 0.00 177.39 176.57 1jsa n SER 9 N -0.45 0.00 0.19 1.45 2.88 -1.26 -4.86 113.62 111.56 1jsa n SER 9 Ca 0.08 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.68 1jsa n SER 9 Cb 0.43 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.24 1jsa n SER 9 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 10 N 0.00 0.00 0.29 -1.46 1.63 -1.96 -0.63 116.57 114.44 1jsa h LYS 10 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1jsa h LYS 10 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1jsa h LYS 10 CO 0.00 0.36 -0.14 0.93 -3.45 0.00 0.00 179.45 177.15 1jsa h GLU 11 N 0.00 -0.38 -0.56 1.90 5.08 -1.90 -3.21 114.58 115.51 1jsa h GLU 11 Ca -0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1jsa h GLU 11 Cb 0.85 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1jsa h GLU 11 CO 0.05 -0.17 0.32 0.82 -1.00 0.00 0.00 179.01 179.03 1jsa h ILE 12 N -1.07 1.02 -1.27 3.13 2.04 -1.93 -0.39 117.51 119.04 1jsa h ILE 12 Ca -0.04 -0.21 0.38 0.00 1.00 0.00 0.00 64.86 65.98 1jsa h ILE 12 Cb 0.39 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 36.71 1jsa h ILE 12 CO 0.07 0.11 0.85 -0.07 0.00 0.00 0.00 178.15 179.11 1jsa h LEU 13 N 0.62 0.23 -0.87 1.44 3.38 -1.20 2.15 115.31 121.07 1jsa h LEU 13 Ca 0.23 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jsa h LEU 13 Cb 0.07 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jsa h LEU 13 CO -0.12 -0.04 0.46 -0.08 0.09 0.00 0.00 178.44 178.75 1jsa h GLU 14 N 0.16 0.00 -0.00 1.13 4.57 -1.06 3.24 114.58 122.62 1jsa h GLU 14 Ca 0.71 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.89 1jsa h GLU 14 Cb 2.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.87 1jsa h GLU 14 CO -0.26 0.00 -0.22 0.39 -1.18 0.00 0.00 179.01 177.74 1jsa n GLU 15 N -2.23 0.26 -0.21 1.92 -0.58 0.73 -4.35 120.64 116.18 1jsa n GLU 15 Ca -0.01 -0.10 0.18 0.00 -0.42 0.00 0.00 57.16 56.81 1jsa n GLU 15 Cb 0.48 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 30.15 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 16 N -1.28 0.08 0.07 -4.62 -0.00 1.08 0.93 117.00 113.27 1jsa n LEU 16 Ca 0.09 0.58 -0.10 0.00 -0.00 0.00 0.00 56.01 56.58 1jsa n LEU 16 Cb 0.32 -0.28 -0.07 0.00 -0.00 0.00 0.00 43.42 43.39 1jsa n LEU 16 CO 0.29 -0.63 0.35 1.56 -0.00 0.00 0.00 177.39 178.96 1jsa h GLN 17 N 0.00 -0.26 -0.02 1.47 4.20 -1.80 -3.22 115.11 115.48 1jsa h GLN 17 Ca 0.38 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1jsa h GLN 17 Cb 1.26 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1jsa h GLN 17 CO -0.18 0.11 0.00 1.28 -0.67 0.00 0.00 178.83 179.37 1jsa n LEU 18 N -4.96 0.13 -3.61 1.46 4.77 0.26 -4.70 117.00 110.36 1jsa n LEU 18 Ca -0.07 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 1jsa n LEU 18 Cb 0.25 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1jsa n LEU 18 CO 0.23 0.03 0.17 0.20 -1.33 0.00 0.00 177.39 176.68 1jsa s ASN 19 N -1.35 -0.84 -0.33 -1.43 0.02 0.38 -5.00 114.94 106.39 1jsa s ASN 19 Ca 0.18 1.31 0.09 0.00 -1.02 0.00 0.00 52.86 53.41 1jsa s ASN 19 Cb 0.08 1.96 0.59 0.00 0.02 0.00 0.00 41.25 43.91 1jsa s ASN 19 CO 0.14 -0.23 1.64 0.41 0.02 0.00 0.00 177.10 179.08 1jsa n THR 20 N 5.43 2.76 -1.10 1.60 -1.04 -1.26 -4.00 114.28 116.66 1jsa n THR 20 Ca -0.10 -2.24 -0.43 0.00 -2.04 0.00 0.00 64.05 59.24 1jsa n THR 20 Cb 0.49 -0.36 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 1jsa n THR 20 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jsa n LYS 21 N -0.90 0.00 0.00 -2.82 0.00 -1.26 -4.56 118.16 108.62 1jsa n LYS 21 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1jsa n LYS 21 Cb 1.25 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 35.20 1jsa n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jsa n PHE 22 N 1.03 0.00 -3.28 5.64 7.35 -1.26 -3.02 117.46 123.91 1jsa n PHE 22 Ca 0.15 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1jsa n PHE 22 Cb 0.07 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.85 1jsa n PHE 22 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jsa s THR 23 N -0.52 -0.73 0.24 -2.13 -4.23 -1.26 -4.97 115.64 102.04 1jsa s THR 23 Ca 0.00 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1jsa s THR 23 Cb 0.00 -0.92 0.05 0.00 1.34 0.00 0.00 72.50 72.97 1jsa s THR 23 CO 0.00 -0.13 0.98 -0.33 -0.54 0.00 0.00 174.62 174.60 1jsa h GLU 24 N 8.12 0.00 0.00 3.99 3.07 -1.88 3.01 114.58 130.89 1jsa h GLU 24 Ca -0.15 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.61 1jsa h GLU 24 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1jsa h GLU 24 CO 0.26 0.00 -0.45 0.93 -1.40 0.00 0.00 179.01 178.35 1jsa h GLU 25 N 0.00 0.00 -0.12 2.33 4.39 -1.93 -3.05 114.58 116.20 1jsa h GLU 25 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1jsa h GLU 25 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1jsa h GLU 25 CO 0.00 0.45 -0.43 1.49 -1.16 0.00 0.00 179.01 179.35 1jsa h GLU 26 N 0.00 0.27 0.00 2.33 4.57 0.51 -2.61 114.58 119.65 1jsa h GLU 26 Ca -0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1jsa h GLU 26 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1jsa h GLU 26 CO 0.06 0.66 0.00 1.28 -1.18 0.00 0.00 179.01 179.83 1jsa n LEU 27 N -4.01 0.00 0.07 1.64 4.32 -1.15 -0.99 117.00 116.89 1jsa n LEU 27 Ca -0.02 0.01 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1jsa n LEU 27 Cb 0.50 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 42.14 1jsa n LEU 27 CO 0.42 -0.01 -0.33 0.28 -1.22 0.00 0.00 177.39 176.54 1jsa h SER 28 N 0.00 0.60 1.13 -1.43 0.02 -1.66 -3.30 113.55 108.90 1jsa h SER 28 Ca 0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 1jsa h SER 28 Cb 0.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1jsa h SER 28 CO 0.00 1.66 0.00 -0.24 -1.14 0.00 0.00 176.83 177.11 1jsa n SER 29 N -3.80 0.61 -0.75 3.07 2.88 -0.16 -2.64 113.62 112.83 1jsa n SER 29 Ca -0.21 0.59 0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1jsa n SER 29 Cb 1.00 -0.74 0.16 0.00 -0.75 0.00 0.00 64.21 63.88 1jsa n SER 29 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1jsa n TRP 30 N -2.10 0.57 0.00 0.66 -0.00 -1.22 -4.06 117.44 111.29 1jsa n TRP 30 Ca 0.05 -0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.29 1jsa n TRP 30 Cb 0.34 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.60 1jsa n TRP 30 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1jsa n TYR 31 N 0.48 0.00 -0.25 5.87 9.36 -1.08 -4.27 117.16 127.27 1jsa n TYR 31 Ca 0.12 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.38 1jsa n TYR 31 Cb 0.37 -0.06 0.17 0.00 -0.63 0.00 0.00 39.34 39.20 1jsa n TYR 31 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1jsa h GLN 32 N 0.00 0.45 -1.22 2.98 5.75 -1.78 -0.17 115.11 121.11 1jsa h GLN 32 Ca 0.00 -0.03 0.37 0.00 -0.15 0.00 0.00 58.65 58.84 1jsa h GLN 32 Cb 0.00 -0.10 -0.11 0.00 1.07 0.00 0.00 27.48 28.34 1jsa h GLN 32 CO 0.00 0.30 0.80 1.03 -2.65 0.00 0.00 178.83 178.30 1jsa h SER 33 N 0.46 0.29 0.42 -0.69 0.87 -1.81 0.80 113.55 113.89 1jsa h SER 33 Ca 0.39 0.10 -0.28 0.00 -1.23 0.00 0.00 61.79 60.77 1jsa h SER 33 Cb 0.56 0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1jsa h SER 33 CO -0.37 -0.06 -1.23 0.15 -0.53 0.00 0.00 176.83 174.78 1jsa h PHE 34 N 0.19 0.70 -0.18 2.24 3.57 -1.21 -3.10 116.94 119.15 1jsa h PHE 34 Ca 0.72 -0.47 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1jsa h PHE 34 Cb 2.18 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.87 1jsa h PHE 34 CO -0.00 1.34 0.17 -0.07 -2.23 0.00 0.00 178.31 177.52 1jsa h LEU 35 N 0.15 0.00 -0.03 0.59 3.38 0.84 0.20 115.31 120.44 1jsa h LEU 35 Ca -0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 1jsa h LEU 35 Cb 1.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.69 1jsa h LEU 35 CO 0.22 0.00 -1.08 0.11 0.09 0.00 0.00 178.44 177.78 1jsa h LYS 36 N 0.00 0.49 -0.00 1.13 1.79 -1.21 -2.74 116.57 116.02 1jsa h LYS 36 Ca 0.09 -0.59 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1jsa h LYS 36 Cb 0.43 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1jsa h LYS 36 CO -0.00 1.22 -0.04 0.39 -1.08 0.00 0.00 179.45 179.94 1jsa n GLU 37 N -3.74 0.98 -3.08 3.15 -0.58 0.07 -4.59 120.64 112.85 1jsa n GLU 37 Ca -0.09 -0.29 0.03 0.00 -0.42 0.00 0.00 57.16 56.39 1jsa n GLU 37 Cb 0.91 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jsa n PRO 39 N 4.73 0.00 -4.41 0.00 -0.02 -1.05 -4.26 135.00 130.00 1jsa n PRO 39 Ca 0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 1jsa n PRO 39 Cb 0.58 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.67 1jsa n PRO 39 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jsa s SER 40 N -1.94 4.22 -0.34 2.55 1.04 -1.26 -5.00 113.70 112.98 1jsa s SER 40 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1jsa s SER 40 Cb 0.00 -1.68 0.32 0.00 0.10 0.00 0.00 66.02 64.76 1jsa s SER 40 CO 0.00 0.10 1.81 0.61 0.98 0.00 0.00 173.24 176.74 1jsa n GLY 41 N 3.97 4.03 2.86 7.32 0.00 -1.26 -4.71 105.19 117.41 1jsa n GLY 41 Ca -0.18 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.10 0.36 -0.18 1.61 0.52 -1.26 -4.43 118.95 113.47 1jsa s ARG 42 Ca 0.36 0.16 -0.29 0.00 -0.52 0.00 0.00 55.73 55.44 1jsa s ARG 42 Cb 0.29 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 1jsa s ARG 42 CO 0.02 -0.92 1.57 0.42 0.02 0.00 0.00 175.30 176.41 1jsa s ILE 43 N 2.49 3.76 0.96 1.52 1.01 -0.02 -4.84 121.20 126.08 1jsa s ILE 43 Ca 0.10 0.88 -0.16 0.00 0.00 0.00 0.00 60.65 61.47 1jsa s ILE 43 Cb -0.14 -3.71 0.20 0.00 0.01 0.00 0.00 42.46 38.82 1jsa s ILE 43 CO -0.27 -0.23 1.32 -0.89 0.00 0.00 0.00 174.94 174.87 1jsa s THR 44 N 4.70 1.99 -0.53 2.92 2.01 -1.26 -2.50 115.64 122.98 1jsa s THR 44 Ca 0.69 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.93 1jsa s THR 44 Cb -0.26 -2.99 0.25 0.00 0.01 0.00 0.00 72.50 69.51 1jsa s THR 44 CO 0.27 0.00 1.55 -0.09 -0.69 0.00 0.00 174.62 175.67 1jsa h ARG 45 N -1.65 0.00 0.00 4.92 2.43 -1.94 -2.65 114.38 115.49 1jsa h ARG 45 Ca -0.44 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.52 1jsa h ARG 45 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1jsa h ARG 45 CO 0.38 0.00 -1.14 1.96 -1.51 0.00 0.00 179.97 179.66 1jsa h GLN 46 N 0.00 0.00 0.08 0.20 4.20 -2.01 -3.35 115.11 114.22 1jsa h GLN 46 Ca 0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 1jsa h GLN 46 Cb 0.89 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 1jsa h GLN 46 CO 0.00 0.71 -1.77 1.49 -0.67 0.00 0.00 178.83 178.59 1jsa h GLU 47 N 0.00 0.17 -1.17 1.46 4.81 -1.94 -3.35 114.58 114.55 1jsa h GLU 47 Ca -0.10 -0.29 0.36 0.00 -0.13 0.00 0.00 59.36 59.21 1jsa h GLU 47 Cb 1.75 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 31.11 1jsa h GLU 47 CO 0.10 0.94 0.74 0.35 -0.73 0.00 0.00 179.01 180.40 1jsa h PHE 48 N 0.05 0.63 0.00 0.92 3.04 -1.61 2.23 116.94 122.20 1jsa h PHE 48 Ca -0.33 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.65 1jsa h PHE 48 Cb 2.02 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 40.36 1jsa h PHE 48 CO 0.05 -0.12 0.00 1.04 -2.02 0.00 0.00 178.31 177.26 1jsa n GLN 49 N -4.74 0.15 -0.01 1.11 6.02 -1.26 -1.93 117.38 116.73 1jsa n GLN 49 Ca 0.32 0.55 -0.07 0.00 -0.01 0.00 0.00 57.00 57.79 1jsa n GLN 49 Cb 1.18 -1.90 -0.13 0.00 1.02 0.00 0.00 30.24 30.41 1jsa n GLN 49 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1jsa n THR 50 N -2.20 1.52 0.06 5.09 -1.04 0.75 -3.41 114.28 115.04 1jsa n THR 50 Ca 0.00 -0.77 -0.02 0.00 -2.04 0.00 0.00 64.05 61.21 1jsa n THR 50 Cb 0.11 -0.97 -0.01 0.00 -1.82 0.00 0.00 70.33 67.64 1jsa n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1jsa h ILE 51 N 0.00 0.00 -0.15 12.58 2.04 -1.28 -1.23 117.51 129.48 1jsa h ILE 51 Ca -0.26 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1jsa h ILE 51 Cb 1.93 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1jsa h ILE 51 CO 0.07 0.00 0.11 1.88 0.00 0.00 0.00 178.15 180.21 1jsa h TYR 52 N -0.17 0.00 -0.45 1.37 0.05 -1.78 -1.97 116.97 114.02 1jsa h TYR 52 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 1jsa h TYR 52 Cb 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1jsa h TYR 52 CO 0.16 0.00 -0.21 0.77 -1.05 0.00 0.00 178.16 177.83 1jsa h SER 53 N 0.00 0.92 -0.96 3.88 0.02 -1.56 -3.08 113.55 112.76 1jsa h SER 53 Ca 0.07 -0.34 0.31 0.00 -0.84 0.00 0.00 61.79 61.00 1jsa h SER 53 Cb 0.28 -0.25 -0.16 0.00 0.14 0.00 0.00 62.40 62.41 1jsa h SER 53 CO -0.00 1.09 0.33 0.50 -1.14 0.00 0.00 176.83 177.61 1jsa h LYS 54 N 0.78 0.12 0.00 3.45 3.64 -0.41 -3.41 116.57 120.75 1jsa h LYS 54 Ca 0.11 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.21 1jsa h LYS 54 Cb 0.76 -0.03 0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1jsa h LYS 54 CO 0.06 0.08 0.08 1.19 -2.27 0.00 0.00 179.45 178.59 1jsa n PHE 55 N -5.27 -3.18 -3.98 1.91 3.72 -1.16 -4.54 117.46 104.95 1jsa n PHE 55 Ca 0.28 -1.01 -0.30 0.00 -0.05 0.00 0.00 57.45 56.38 1jsa n PHE 55 Cb 0.93 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 39.02 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N -2.30 -1.59 0.29 1.38 3.72 -1.26 -4.74 117.46 112.96 1jsa n PHE 56 Ca 0.10 0.57 0.02 0.00 -0.05 0.00 0.00 57.45 58.09 1jsa n PHE 56 Cb 0.34 -3.39 0.10 0.00 -0.94 0.00 0.00 39.48 35.60 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1jsa n PRO 57 N -4.48 0.14 -0.05 -1.08 -0.04 -1.26 -3.02 135.00 125.21 1jsa n PRO 57 Ca -0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.20 1jsa n PRO 57 Cb 0.65 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1jsa n PRO 57 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jsa h GLU 58 N 0.00 0.00 0.00 0.54 5.08 -1.96 -3.48 114.58 114.76 1jsa h GLU 58 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jsa h GLU 58 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jsa h GLU 58 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1jsa n ALA 59 N -2.97 0.00 -3.20 3.43 0.00 -1.17 -4.85 120.51 111.76 1jsa n ALA 59 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1jsa n ALA 59 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 0.47 -0.05 0.00 8.00 -0.95 -4.93 116.55 119.09 1jsa n ASP 60 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1jsa n ASP 60 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 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 1.14 0.26 -0.17 -0.24 -0.04 -1.26 -3.64 135.00 131.06 1jsa n PRO 61 Ca 0.22 0.00 0.27 0.00 -0.04 0.00 0.00 63.50 63.95 1jsa n PRO 61 Cb 0.55 -1.01 0.70 0.00 -0.04 0.00 0.00 33.50 33.70 1jsa n PRO 61 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1jsa h LYS 62 N 0.07 0.04 0.00 0.54 5.09 -1.91 0.80 116.57 121.20 1jsa h LYS 62 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 1jsa h LYS 62 Cb 0.01 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1jsa h LYS 62 CO 0.00 0.03 -0.64 0.00 -2.09 0.00 0.00 179.45 176.74 1jsa h ALA 63 N 1.58 0.70 0.00 0.07 0.00 -1.86 -3.32 119.26 116.42 1jsa h ALA 63 Ca 0.41 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 1jsa h ALA 63 Cb 1.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1jsa h ALA 63 CO -0.02 0.08 -1.51 0.98 0.00 0.00 0.00 179.25 178.78 1jsa n TYR 64 N -2.87 0.99 0.32 0.00 9.36 0.23 -3.85 117.16 121.34 1jsa n TYR 64 Ca 0.01 0.34 0.15 0.00 3.32 0.00 0.00 57.90 61.72 1jsa n TYR 64 Cb 0.57 -1.12 0.60 0.00 -0.63 0.00 0.00 39.34 38.75 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jsa h ALA 65 N 1.28 1.00 0.00 2.98 0.00 -0.13 -2.45 119.26 121.94 1jsa h ALA 65 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jsa h ALA 65 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1jsa h ALA 65 CO 0.06 0.00 -0.14 1.96 0.00 0.00 0.00 179.25 181.13 1jsa h GLN 66 N 0.00 0.00 0.23 0.00 4.20 -1.67 -3.28 115.11 114.59 1jsa h GLN 66 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1jsa h GLN 66 Cb 0.49 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.31 1jsa h GLN 66 CO 0.00 0.00 -1.44 0.45 -0.67 0.00 0.00 178.83 177.17 1jsa h HIS 67 N 0.00 0.92 0.00 2.96 3.86 -1.60 -3.19 115.15 118.10 1jsa h HIS 67 Ca 0.00 -0.67 0.00 0.00 -1.16 0.00 0.00 60.37 58.54 1jsa h HIS 67 Cb 0.96 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1jsa h HIS 67 CO 0.00 1.52 0.19 0.28 0.86 0.00 0.00 177.93 180.78 1jsa n VAL 68 N -3.70 1.22 0.00 2.45 0.31 -1.20 -2.65 118.33 114.76 1jsa n VAL 68 Ca -0.15 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1jsa n VAL 68 Cb 1.09 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 -1.35 0.00 0.16 3.52 7.35 -1.21 -3.25 117.46 122.68 1jsa n PHE 69 Ca -0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1jsa n PHE 69 Cb 0.19 -0.29 0.21 0.00 0.35 0.00 0.00 39.48 39.94 1jsa n PHE 69 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1jsa n ARG 70 N -1.37 0.06 -0.30 -4.13 0.63 -1.08 0.20 116.66 110.66 1jsa n ARG 70 Ca 0.00 0.51 0.05 0.00 -0.92 0.00 0.00 57.85 57.49 1jsa n ARG 70 Cb 0.00 -2.15 0.25 0.00 0.45 0.00 0.00 32.46 31.01 1jsa n ARG 70 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jsa h SER 71 N 0.00 0.88 0.00 6.15 4.64 -1.51 -3.37 113.55 120.34 1jsa h SER 71 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jsa h SER 71 Cb 0.94 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1jsa h SER 71 CO 0.00 0.55 -0.05 0.33 -0.87 0.00 0.00 176.83 176.79 1jsa n PHE 72 N -4.51 0.00 0.94 4.77 7.35 0.13 -4.42 117.46 121.72 1jsa n PHE 72 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1jsa n PHE 72 Cb 0.23 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.06 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 -0.07 2.12 -1.49 -2.13 2.03 0.45 -3.38 116.55 114.08 1jsa n ASP 73 Ca 0.00 -1.87 0.10 0.00 0.52 0.00 0.00 54.79 53.54 1jsa n ASP 73 Cb 0.00 -0.47 0.34 0.00 -0.72 0.00 0.00 41.12 40.28 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 0.35 2.79 -1.59 -1.67 0.00 -1.26 -4.22 120.51 114.91 1jsa n ALA 74 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 53.44 51.65 1jsa n ALA 74 Cb 0.38 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 1.35 7.11 -3.19 0.00 6.94 -1.22 -4.72 115.26 121.52 1jsa n ASN 75 Ca 0.25 -3.02 -0.15 0.00 -0.02 0.00 0.00 54.58 51.64 1jsa n ASN 75 Cb 0.78 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 36.84 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jsa n SER 76 N 1.67 -1.41 -0.13 0.53 3.41 -1.26 -4.74 113.62 111.68 1jsa n SER 76 Ca 0.56 -0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.79 1jsa n SER 76 Cb 0.46 -1.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.00 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jsa n ASP 77 N -1.84 1.93 0.00 4.04 -0.08 -1.26 -5.00 116.55 114.34 1jsa n ASP 77 Ca 0.04 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1jsa n ASP 77 Cb 0.49 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.08 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jsa n GLY 78 N 1.30 3.02 3.08 0.27 0.00 -1.26 -5.00 105.19 106.61 1jsa n GLY 78 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.70 0.20 -0.43 2.61 -4.23 -1.26 -4.90 115.64 104.93 1jsa s THR 79 Ca 0.00 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 58.72 1jsa s THR 79 Cb 0.00 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.56 1jsa s THR 79 CO 0.00 -0.90 0.36 -0.76 -0.54 0.00 0.00 174.62 172.78 1jsa s LEU 80 N -2.68 5.16 0.45 4.79 1.43 -1.04 -4.91 118.68 121.88 1jsa s LEU 80 Ca 0.03 -0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1jsa s LEU 80 Cb 0.05 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1jsa s LEU 80 CO -0.09 -0.53 0.72 -1.81 0.23 0.00 0.00 176.35 174.87 1jsa s ASP 81 N 1.93 6.21 0.17 2.29 1.01 -1.26 -0.84 116.67 126.18 1jsa s ASP 81 Ca 0.07 0.75 -0.25 0.00 0.71 0.00 0.00 52.55 53.83 1jsa s ASP 81 Cb -0.20 -2.12 0.05 0.00 1.01 0.00 0.00 42.92 41.66 1jsa s ASP 81 CO 0.10 -0.54 1.57 0.15 0.21 0.00 0.00 175.17 176.66 1jsa h PHE 82 N 0.35 -1.29 -1.24 4.23 3.04 -1.97 0.66 116.94 120.73 1jsa h PHE 82 Ca -0.48 0.09 0.42 0.00 3.98 0.00 0.00 57.97 61.98 1jsa h PHE 82 Cb 1.21 0.65 -0.14 0.00 2.56 0.00 0.00 35.95 40.23 1jsa h PHE 82 CO 0.55 -0.42 0.77 -0.22 -2.02 0.00 0.00 178.31 176.97 1jsa h LYS 83 N -0.20 0.09 0.00 1.11 3.64 -1.96 2.21 116.57 121.45 1jsa h LYS 83 Ca 0.19 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 1jsa h LYS 83 Cb 0.56 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1jsa h LYS 83 CO -0.72 0.06 -1.10 0.93 -2.27 0.00 0.00 179.45 176.35 1jsa h GLU 84 N 0.09 0.00 -0.89 1.90 5.08 -0.25 -3.31 114.58 117.19 1jsa h GLU 84 Ca 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.19 1jsa h GLU 84 Cb 2.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.65 1jsa h GLU 84 CO -0.50 0.51 0.57 -0.92 -1.00 0.00 0.00 179.01 177.67 1jsa h TYR 85 N 0.00 1.14 0.77 4.33 3.20 0.74 -2.58 116.97 124.56 1jsa h TYR 85 Ca -0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1jsa h TYR 85 Cb 1.62 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1jsa h TYR 85 CO 0.00 0.73 -0.41 0.28 -1.64 0.00 0.00 178.16 177.12 1jsa h VAL 86 N 1.22 0.17 -1.08 1.81 2.07 -1.33 0.21 116.25 119.31 1jsa h VAL 86 Ca 0.32 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.14 1jsa h VAL 86 Cb -0.11 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 29.72 1jsa h VAL 86 CO -0.07 0.00 0.69 0.40 0.02 0.00 0.00 177.57 178.61 1jsa h ILE 87 N -1.09 0.46 0.00 4.57 2.04 -1.65 0.21 117.51 122.05 1jsa h ILE 87 Ca -0.10 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1jsa h ILE 87 Cb 0.85 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1jsa h ILE 87 CO 0.14 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1jsa n ALA 88 N -2.47 -0.08 0.30 1.87 0.00 -0.87 -2.26 120.51 117.00 1jsa n ALA 88 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1jsa n ALA 88 Cb 0.96 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.67 1jsa n ALA 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jsa h LEU 89 N 0.00 0.00 0.00 0.00 -0.00 -0.39 0.78 115.31 115.71 1jsa h LEU 89 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jsa h LEU 89 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jsa h LEU 89 CO 0.00 0.00 -0.09 -0.74 -0.00 0.00 0.00 178.44 177.61 1jsa h HIS 90 N 0.00 0.00 0.00 1.13 2.76 -0.62 -3.28 115.15 115.14 1jsa h HIS 90 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jsa h HIS 90 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.44 1jsa h HIS 90 CO 0.00 0.15 0.23 0.52 -1.30 0.00 0.00 177.93 177.53 1jsa h MET 91 N -1.00 0.00 -1.53 5.26 2.86 -0.41 -1.18 114.93 118.92 1jsa h MET 91 Ca -0.01 0.00 0.47 0.00 -2.06 0.00 0.00 59.70 58.10 1jsa h MET 91 Cb 0.21 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.77 1jsa h MET 91 CO -0.00 0.00 1.06 1.15 1.06 0.00 0.00 176.91 180.17 1jsa h THR 92 N 0.00 0.14 0.00 2.22 2.02 -1.47 -3.32 112.91 112.49 1jsa h THR 92 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1jsa h THR 92 Cb 0.47 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1jsa h THR 92 CO 0.00 0.01 0.00 -1.54 0.37 0.00 0.00 175.52 174.36 1jsa n SER 93 N -4.33 0.00 -4.68 4.18 3.41 -0.91 -4.94 113.62 106.35 1jsa n SER 93 Ca 0.38 -0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.60 1jsa n SER 93 Cb 1.60 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 65.71 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa s ALA 94 N 0.00 1.32 0.00 7.33 0.00 -0.50 -5.04 121.76 124.88 1jsa s ALA 94 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1jsa s ALA 94 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1jsa s ALA 94 CO 0.00 -2.58 0.00 0.41 0.00 0.00 0.00 175.76 173.59 1jsa n GLY 95 N -0.56 3.07 0.00 0.00 0.00 -1.26 -4.78 105.19 101.65 1jsa n GLY 95 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jsa n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jsa n LYS 96 N -0.66 0.00 -2.84 1.61 4.81 -1.26 -5.13 118.16 114.70 1jsa n LYS 96 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1jsa n LYS 96 Cb 0.00 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.15 1jsa n LYS 96 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jsa s THR 97 N -0.83 2.01 0.75 3.15 -4.23 -1.26 -5.12 115.64 110.12 1jsa s THR 97 Ca 0.00 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1jsa s THR 97 Cb 0.00 -2.19 0.14 0.00 1.34 0.00 0.00 72.50 71.79 1jsa s THR 97 CO 0.00 0.00 1.03 0.21 -0.54 0.00 0.00 174.62 175.32 1jsa s ASN 98 N -4.76 4.16 -0.12 3.99 2.47 -1.26 -4.88 114.94 114.54 1jsa s ASN 98 Ca 0.66 -0.40 -0.08 0.00 0.42 0.00 0.00 52.86 53.45 1jsa s ASN 98 Cb -0.04 0.11 0.03 0.00 -1.45 0.00 0.00 41.25 39.90 1jsa s ASN 98 CO 0.43 -2.00 0.17 1.67 -3.72 0.00 0.00 177.10 173.64 1jsa n GLN 99 N -2.93 -3.93 0.00 0.43 7.27 -1.26 -4.91 117.38 112.05 1jsa n GLN 99 Ca 0.16 3.02 0.00 0.00 0.07 0.00 0.00 57.00 60.25 1jsa n GLN 99 Cb 0.61 -4.29 0.00 0.00 2.41 0.00 0.00 30.24 28.97 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1jsa n LYS 100 N 1.43 0.00 -0.08 3.69 2.85 -1.26 -4.90 118.16 119.89 1jsa n LYS 100 Ca -0.28 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 56.82 1jsa n LYS 100 Cb 0.43 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.69 1jsa n LYS 100 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1jsa h LEU 101 N 0.00 0.00 -1.29 -5.58 7.12 -2.00 -3.30 115.31 110.26 1jsa h LEU 101 Ca 0.00 -0.81 0.09 0.00 0.13 0.00 0.00 57.88 57.30 1jsa h LEU 101 Cb 0.07 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1jsa h LEU 101 CO 0.00 1.15 0.72 -0.33 -0.13 0.00 0.00 178.44 179.85 1jsa h GLU 102 N -1.00 0.00 -0.00 1.25 5.08 -1.94 1.15 114.58 119.11 1jsa h GLU 102 Ca -0.12 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 1jsa h GLU 102 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1jsa h GLU 102 CO -0.07 0.00 -0.79 -1.49 -1.00 0.00 0.00 179.01 175.66 1jsa h TRP 103 N 0.00 0.11 0.00 4.33 6.55 -1.97 -3.06 115.95 121.91 1jsa h TRP 103 Ca 0.15 -0.06 -0.04 0.00 0.95 0.00 0.00 58.89 59.89 1jsa h TRP 103 Cb 1.59 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.87 1jsa h TRP 103 CO 0.00 0.83 -0.21 0.00 -1.05 0.00 0.00 178.44 178.01 1jsa h ALA 104 N 1.15 1.03 0.00 1.49 0.00 0.12 -2.67 119.26 120.38 1jsa h ALA 104 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jsa h ALA 104 Cb 1.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jsa h ALA 104 CO 0.11 0.27 0.00 0.35 0.00 0.00 0.00 179.25 179.98 1jsa h PHE 105 N 0.00 0.00 0.00 0.00 3.57 -1.44 0.10 116.94 119.18 1jsa h PHE 105 Ca -0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1jsa h PHE 105 Cb 0.72 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1jsa h PHE 105 CO 0.00 0.00 -0.91 0.77 -2.23 0.00 0.00 178.31 175.94 1jsa h SER 106 N 0.00 0.00 0.25 0.41 0.02 -1.64 -3.13 113.55 109.45 1jsa h SER 106 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1jsa h SER 106 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jsa h SER 106 CO 0.00 0.53 -0.12 0.25 -1.14 0.00 0.00 176.83 176.35 1jsa h LEU 107 N 0.00 -0.28 -0.67 5.07 7.12 -1.10 -2.55 115.31 122.91 1jsa h LEU 107 Ca -0.07 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1jsa h LEU 107 Cb 1.46 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1jsa h LEU 107 CO 0.06 -0.06 0.00 1.88 -0.13 0.00 0.00 178.44 180.19 1jsa h TYR 108 N -0.50 0.00 0.00 1.25 -1.99 -1.69 -3.34 116.97 110.70 1jsa h TYR 108 Ca -0.03 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.34 1jsa h TYR 108 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1jsa h TYR 108 CO -0.01 0.00 2.06 -3.47 -0.00 0.00 0.00 178.16 176.73 1jsa n ASP 109 N -2.36 5.23 -0.33 3.88 2.03 -0.96 -4.56 116.55 119.48 1jsa n ASP 109 Ca 0.03 -2.32 0.04 0.00 0.52 0.00 0.00 54.79 53.06 1jsa n ASP 109 Cb 0.28 -1.14 0.19 0.00 -0.72 0.00 0.00 41.12 39.73 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 3.04 0.93 0.00 5.18 2.07 -1.78 -3.30 116.25 122.39 1jsa h VAL 110 Ca 0.46 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1jsa h VAL 110 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1jsa h VAL 110 CO 1.18 0.17 0.00 -0.90 0.02 0.00 0.00 177.57 178.04 1jsa n ASP 111 N -4.67 0.00 0.00 0.57 5.75 -1.26 -5.03 116.55 111.91 1jsa n ASP 111 Ca 0.16 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1jsa n ASP 111 Cb 0.29 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 112 N 2.11 1.20 0.58 6.12 0.00 -1.24 -5.08 105.19 108.88 1jsa n GLY 112 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -0.01 0.00 1.61 6.94 -1.26 -4.97 115.26 117.57 1jsa n ASN 113 Ca 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1jsa n ASN 113 Cb 0.00 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsa n GLY 114 N 0.03 0.56 3.14 4.83 0.00 -1.26 -4.92 105.19 107.58 1jsa n GLY 114 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.30 -0.01 0.24 2.61 -4.23 -1.26 -4.05 115.64 106.63 1jsa s THR 115 Ca 0.00 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 1jsa s THR 115 Cb 0.00 -0.41 -0.08 0.00 1.34 0.00 0.00 72.50 73.36 1jsa s THR 115 CO 0.00 0.02 0.59 -0.63 -0.54 0.00 0.00 174.62 174.06 1jsa s ILE 116 N 0.53 4.87 0.22 2.99 1.01 0.50 -4.83 121.20 126.50 1jsa s ILE 116 Ca -0.03 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.31 1jsa s ILE 116 Cb -0.05 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1jsa s ILE 116 CO -0.03 -0.05 -0.12 -0.94 0.00 0.00 0.00 174.94 173.80 1jsa s SER 117 N -2.26 2.56 0.58 3.58 1.04 -1.26 -2.10 113.70 115.85 1jsa s SER 117 Ca 0.47 -1.07 0.28 0.00 0.48 0.00 0.00 55.95 56.12 1jsa s SER 117 Cb -0.12 -0.13 1.52 0.00 0.10 0.00 0.00 66.02 67.39 1jsa s SER 117 CO 0.20 -0.23 1.97 0.50 0.98 0.00 0.00 173.24 176.66 1jsa h LYS 118 N 2.49 0.00 -0.46 4.02 3.64 -1.99 0.79 116.57 125.07 1jsa h LYS 118 Ca -0.38 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.87 1jsa h LYS 118 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1jsa h LYS 118 CO 0.63 0.00 -0.22 -0.97 -2.27 0.00 0.00 179.45 176.63 1jsa h ASN 119 N 0.00 0.95 0.08 4.20 -1.24 -1.98 -1.87 115.58 115.73 1jsa h ASN 119 Ca 0.18 -0.35 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 1jsa h ASN 119 Cb 0.95 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1jsa h ASN 119 CO -0.00 1.13 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.90 1jsa h GLU 120 N 0.80 -0.10 -0.71 6.67 5.08 -1.21 -3.04 114.58 122.07 1jsa h GLU 120 Ca 0.11 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1jsa h GLU 120 Cb 0.78 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1jsa h GLU 120 CO 0.06 0.39 0.50 0.28 -1.00 0.00 0.00 179.01 179.25 1jsa h VAL 121 N -0.65 0.68 -0.39 3.13 2.07 -1.42 -0.59 116.25 119.09 1jsa h VAL 121 Ca -0.01 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1jsa h VAL 121 Cb 0.54 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1jsa h VAL 121 CO 0.02 0.02 0.17 -0.07 0.02 0.00 0.00 177.57 177.72 1jsa h LEU 122 N 0.11 0.22 0.26 2.57 3.38 -1.21 -1.54 115.31 119.09 1jsa h LEU 122 Ca 0.35 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1jsa h LEU 122 Cb 1.21 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1jsa h LEU 122 CO -0.04 0.16 -0.13 -0.08 0.09 0.00 0.00 178.44 178.45 1jsa h GLU 123 N 0.34 -0.34 -0.93 1.13 4.57 -1.15 -0.02 114.58 118.19 1jsa h GLU 123 Ca 0.17 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.62 1jsa h GLU 123 Cb 0.11 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 28.65 1jsa h GLU 123 CO -0.15 -0.11 0.42 0.82 -1.18 0.00 0.00 179.01 178.81 1jsa h ILE 124 N -0.53 0.40 -0.16 2.32 1.08 -1.29 0.90 117.51 120.23 1jsa h ILE 124 Ca -0.04 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 1jsa h ILE 124 Cb 0.39 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1jsa h ILE 124 CO 0.06 0.07 -0.14 0.58 -0.69 0.00 0.00 178.15 178.03 1jsa h VAL 125 N 0.36 1.33 0.75 1.67 2.07 -0.96 -2.61 116.25 118.86 1jsa h VAL 125 Ca 0.61 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1jsa h VAL 125 Cb 1.24 1.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1jsa h VAL 125 CO -0.57 0.38 -0.36 0.74 0.02 0.00 0.00 177.57 177.78 1jsa h THR 126 N 0.03 0.13 -0.96 2.57 2.02 0.13 -1.50 112.91 115.34 1jsa h THR 126 Ca 0.03 -0.20 0.30 0.00 0.77 0.00 0.00 66.41 67.32 1jsa h THR 126 Cb 0.66 0.16 -0.16 0.00 -1.74 0.00 0.00 68.15 67.07 1jsa h THR 126 CO 0.04 0.01 0.33 0.00 0.37 0.00 0.00 175.52 176.26 1jsa h ALA 127 N -1.06 1.60 -0.61 6.16 0.00 0.57 1.06 119.26 126.98 1jsa h ALA 127 Ca -0.10 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jsa h ALA 127 Cb 0.79 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jsa h ALA 127 CO 0.17 -0.63 0.10 0.82 0.00 0.00 0.00 179.25 179.72 1jsa h ILE 128 N 0.14 1.26 -0.79 0.00 2.04 -1.23 -2.19 117.51 116.74 1jsa h ILE 128 Ca 0.67 -0.99 0.22 0.00 1.00 0.00 0.00 64.86 65.76 1jsa h ILE 128 Cb 1.52 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1jsa h ILE 128 CO -0.73 0.37 0.56 0.15 0.00 0.00 0.00 178.15 178.49 1jsa h PHE 129 N 0.91 0.09 0.08 1.37 3.57 0.22 0.38 116.94 123.56 1jsa h PHE 129 Ca 0.18 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.44 1jsa h PHE 129 Cb 0.42 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1jsa h PHE 129 CO 0.03 0.02 -1.14 0.87 -2.23 0.00 0.00 178.31 175.86 1jsa h LYS 130 N 0.07 0.20 0.00 1.11 1.79 -0.97 -3.12 116.57 115.66 1jsa h LYS 130 Ca 0.38 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1jsa h LYS 130 Cb 1.42 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1jsa h LYS 130 CO -0.03 1.14 0.00 -0.12 -1.08 0.00 0.00 179.45 179.36 1jsa n MET 131 N -3.51 0.12 -2.32 3.15 0.00 0.12 -2.25 117.12 112.44 1jsa n MET 131 Ca -0.06 0.32 -0.34 0.00 -0.00 0.00 0.00 57.70 57.62 1jsa n MET 131 Cb 0.98 -1.72 -0.01 0.00 0.00 0.00 0.00 33.22 32.47 1jsa n MET 131 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1jsa s ILE 132 N -3.17 3.49 0.38 1.12 1.01 -0.44 -4.49 121.20 119.10 1jsa s ILE 132 Ca 0.06 0.89 -0.18 0.00 0.00 0.00 0.00 60.65 61.42 1jsa s ILE 132 Cb 0.10 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 1jsa s ILE 132 CO 0.37 -0.24 0.85 -0.44 0.00 0.00 0.00 174.94 175.49 1jsa s SER 133 N -2.02 6.87 0.25 3.58 0.01 -1.26 -4.61 113.70 116.52 1jsa s SER 133 Ca 0.69 1.51 -0.02 0.00 1.31 0.00 0.00 55.95 59.44 1jsa s SER 133 Cb -0.20 -2.47 0.49 0.00 0.21 0.00 0.00 66.02 64.06 1jsa s SER 133 CO 0.26 -0.29 1.76 -0.65 0.41 0.00 0.00 173.24 174.73 1jsa h PRO 134 N 2.07 0.60 -0.09 12.44 0.11 -1.95 0.74 132.00 145.91 1jsa h PRO 134 Ca -0.48 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1jsa h PRO 134 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jsa h PRO 134 CO 0.63 0.39 -0.36 1.49 -0.21 0.00 0.00 178.00 179.94 1jsa h GLU 135 N 0.61 0.41 0.00 1.05 4.81 -2.01 -3.14 114.58 116.31 1jsa h GLU 135 Ca 0.44 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1jsa h GLU 135 Cb 0.59 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1jsa h GLU 135 CO -0.35 0.95 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.39 1jsa h ASP 136 N -0.04 0.00 0.33 1.04 3.32 -1.76 -0.94 116.42 118.37 1jsa h ASP 136 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jsa h ASP 136 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1jsa h ASP 136 CO 0.08 0.05 0.00 0.41 -1.72 0.00 0.00 179.24 178.06 1jsa n THR 137 N -3.92 1.30 0.94 0.35 -1.04 0.19 -1.22 114.28 110.87 1jsa n THR 137 Ca -0.03 0.37 0.12 0.00 -2.04 0.00 0.00 64.05 62.47 1jsa n THR 137 Cb 0.14 -1.24 0.26 0.00 -1.82 0.00 0.00 70.33 67.67 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 -1.66 0.04 -0.06 -2.82 5.02 -0.36 -4.11 118.16 114.22 1jsa n LYS 138 Ca 0.02 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 1jsa n LYS 138 Cb 0.11 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.47 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jsa n HIS 139 N -1.58 0.88 -1.17 2.13 8.25 -0.36 -4.96 115.22 118.41 1jsa n HIS 139 Ca 0.05 0.24 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 1jsa n HIS 139 Cb 0.35 -1.11 0.03 0.00 1.12 0.00 0.00 29.99 30.38 1jsa n HIS 139 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1jsa n LEU 140 N -3.73 -3.85 -4.59 2.41 -0.00 -1.18 -4.74 117.00 101.32 1jsa n LEU 140 Ca -0.36 0.49 -0.46 0.00 -0.00 0.00 0.00 56.01 55.68 1jsa n LEU 140 Cb 0.94 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 1jsa n LEU 140 CO 0.31 -4.98 0.63 -2.65 -0.00 0.00 0.00 177.39 170.70 1jsa n PRO 141 N 1.53 1.31 0.05 1.47 -0.02 -1.26 -4.91 135.00 133.17 1jsa n PRO 141 Ca 0.05 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.77 1jsa n PRO 141 Cb 0.50 -1.88 -0.15 0.00 -0.02 0.00 0.00 33.50 31.96 1jsa n PRO 141 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jsa h GLU 142 N 2.55 0.34 0.00 -0.52 4.39 -1.95 -3.14 114.58 116.25 1jsa h GLU 142 Ca -0.41 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 58.71 1jsa h GLU 142 Cb 1.34 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1jsa h GLU 142 CO 0.64 1.28 0.62 -0.44 -1.16 0.00 0.00 179.01 179.95 1jsa h ASP 143 N -0.15 0.00 -1.46 1.42 3.32 -2.01 -1.36 116.42 116.17 1jsa h ASP 143 Ca -0.27 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.35 1jsa h ASP 143 Cb 1.88 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 41.10 1jsa h ASP 143 CO 0.14 0.00 -0.99 -0.62 -1.72 0.00 0.00 179.24 176.05 1jsa n GLU 144 N -2.50 0.95 0.00 3.56 1.02 -1.23 -4.94 120.64 117.50 1jsa n GLU 144 Ca -0.01 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1jsa n GLU 144 Cb 0.64 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jsa n ASN 145 N 0.47 0.75 -4.09 1.62 2.04 -0.51 -4.47 115.26 111.07 1jsa n ASN 145 Ca 0.20 -1.56 -0.19 0.00 -0.44 0.00 0.00 54.58 52.58 1jsa n ASN 145 Cb 0.65 -0.38 -0.14 0.00 -2.53 0.00 0.00 39.78 37.39 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 -1.03 0.93 0.12 5.53 -4.23 -1.26 -5.04 115.64 110.66 1jsa s THR 146 Ca 0.00 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 1jsa s THR 146 Cb 0.00 -0.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.95 1jsa s THR 146 CO 0.00 0.08 1.72 1.55 -0.54 0.00 0.00 174.62 177.42 1jsa h PRO 147 N 5.33 0.01 0.00 3.99 0.13 -1.90 0.21 132.00 139.78 1jsa h PRO 147 Ca -0.35 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1jsa h PRO 147 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jsa h PRO 147 CO 0.46 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.39 1jsa n GLU 148 N -5.16 0.10 -0.01 0.86 0.28 -1.26 -1.36 120.64 114.10 1jsa n GLU 148 Ca -0.04 0.49 -0.21 0.00 -0.16 0.00 0.00 57.16 57.25 1jsa n GLU 148 Cb 0.10 -1.76 -0.14 0.00 1.43 0.00 0.00 31.44 31.07 1jsa n GLU 148 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1jsa h LYS 149 N 0.00 0.20 0.00 3.44 3.64 -0.99 -3.34 116.57 119.53 1jsa h LYS 149 Ca 0.00 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1jsa h LYS 149 Cb 0.13 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1jsa h LYS 149 CO 0.00 1.16 -0.04 0.00 -2.27 0.00 0.00 179.45 178.31 1jsa h ARG 150 N -0.46 0.00 -1.40 1.90 3.08 -0.70 -3.15 114.38 113.64 1jsa h ARG 150 Ca -0.26 0.00 0.41 0.00 0.07 0.00 0.00 59.98 60.20 1jsa h ARG 150 Cb 1.62 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.60 1jsa h ARG 150 CO 0.03 0.04 0.99 0.00 -1.07 0.00 0.00 179.97 179.96 1jsa h ALA 151 N 1.96 3.16 -0.48 0.04 0.00 -1.33 1.02 119.26 123.64 1jsa h ALA 151 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1jsa h ALA 151 Cb 0.76 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jsa h ALA 151 CO 0.00 -1.62 -0.20 0.93 0.00 0.00 0.00 179.25 178.37 1jsa h GLU 152 N 0.06 0.98 0.67 0.00 5.08 -1.77 -2.23 114.58 117.37 1jsa h GLU 152 Ca 0.71 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1jsa h GLU 152 Cb 2.63 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.85 1jsa h GLU 152 CO -0.11 1.09 -0.32 0.87 -1.00 0.00 0.00 179.01 179.54 1jsa h LYS 153 N 0.83 -0.87 0.00 2.33 1.79 0.87 0.42 116.57 121.95 1jsa h LYS 153 Ca 0.11 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1jsa h LYS 153 Cb 0.78 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1jsa h LYS 153 CO 0.06 -0.55 0.00 -0.89 -1.08 0.00 0.00 179.45 176.99 1jsa n ILE 154 N -5.45 0.00 0.28 1.86 5.41 -0.99 -1.34 119.36 119.13 1jsa n ILE 154 Ca -0.13 1.20 0.12 0.00 1.00 0.00 0.00 62.75 64.94 1jsa n ILE 154 Cb 0.37 -2.07 0.54 0.00 -0.71 0.00 0.00 39.64 37.77 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 -1.51 1.38 115.95 120.11 1jsa h TRP 155 Ca 0.00 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.93 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 -0.03 0.00 -0.42 0.78 -1.03 0.00 0.00 178.44 177.74 1jsa h GLY 156 N 0.00 0.00 0.49 2.65 0.00 0.11 0.80 103.07 107.12 1jsa h GLY 156 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.45 1jsa h GLY 156 CO -0.00 0.00 0.18 0.74 0.00 0.00 0.00 176.54 177.46 1jsa h PHE 157 N 0.00 0.31 0.14 5.60 0.04 0.28 -3.07 116.94 120.24 1jsa h PHE 157 Ca -0.00 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.43 1jsa h PHE 157 Cb 0.80 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1jsa h PHE 157 CO 0.00 0.09 -1.92 0.74 -0.60 0.00 0.00 178.31 176.62 1jsa h PHE 158 N 0.35 0.54 -6.39 -0.55 0.04 -1.66 -3.49 116.94 105.78 1jsa h PHE 158 Ca 0.25 -0.39 -0.36 0.00 2.80 0.00 0.00 57.97 60.27 1jsa h PHE 158 Cb 0.28 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1jsa h PHE 158 CO -0.17 1.76 -0.91 0.41 -0.60 0.00 0.00 178.31 178.80 1jsa n GLY 159 N 1.95 -0.97 3.50 -1.45 0.00 0.26 -4.94 105.19 103.54 1jsa n GLY 159 Ca -0.30 0.75 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 1jsa n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsa s LYS 160 N -3.92 3.69 0.01 1.61 1.02 -1.26 -4.99 119.74 115.89 1jsa s LYS 160 Ca 0.10 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.56 1jsa s LYS 160 Cb -0.01 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1jsa s LYS 160 CO 0.86 0.17 -0.06 1.17 -0.92 0.00 0.00 175.35 176.57 1jsa n LYS 161 N 3.75 0.09 0.31 1.68 3.00 -1.26 -3.48 118.16 122.26 1jsa n LYS 161 Ca -0.17 0.04 0.10 0.00 -0.00 0.00 0.00 58.31 58.27 1jsa n LYS 161 Cb 0.52 -0.53 0.52 0.00 0.00 0.00 0.00 35.03 35.54 1jsa n LYS 161 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1jsa h ASP 162 N -0.18 0.00 -0.69 3.14 1.82 -2.03 -2.49 116.42 115.99 1jsa h ASP 162 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.31 1jsa h ASP 162 Cb 0.18 0.00 -0.23 0.00 0.68 0.00 0.00 39.33 39.96 1jsa h ASP 162 CO 0.00 0.00 -0.70 0.47 -1.61 0.00 0.00 179.24 177.40 1jsa n ASP 163 N -2.66 -1.64 -1.04 2.28 8.00 -1.26 -4.98 116.55 115.25 1jsa n ASP 163 Ca -0.01 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1jsa n ASP 163 Cb 0.56 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.66 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 1.15 0.55 -3.86 -2.24 5.75 -0.94 -4.44 116.55 112.53 1jsa n ASP 164 Ca 0.13 -0.39 -0.30 0.00 -0.01 0.00 0.00 54.79 54.22 1jsa n ASP 164 Cb 0.63 -0.09 -0.15 0.00 -1.03 0.00 0.00 41.12 40.47 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jsa s LYS 165 N 0.85 1.18 -0.08 0.11 3.01 -1.26 -4.57 119.74 118.99 1jsa s LYS 165 Ca 0.00 -1.03 -0.30 0.00 -1.01 0.00 0.00 55.97 53.63 1jsa s LYS 165 Cb 0.00 -2.42 -0.02 0.00 -1.01 0.00 0.00 37.83 34.38 1jsa s LYS 165 CO 0.00 -0.76 1.15 -1.17 0.51 0.00 0.00 175.35 175.08 1jsa s LEU 166 N 1.47 4.26 0.26 3.17 2.96 -0.89 -4.72 118.68 125.19 1jsa s LEU 166 Ca 0.02 1.72 0.04 0.00 -0.22 0.00 0.00 54.13 55.69 1jsa s LEU 166 Cb -0.18 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1jsa s LEU 166 CO -0.12 -0.56 0.40 -0.89 -1.32 0.00 0.00 176.35 173.86 1jsa s THR 167 N 2.26 5.23 0.41 3.68 2.01 -1.26 -0.37 115.64 127.60 1jsa s THR 167 Ca 0.53 -0.88 0.35 0.00 0.31 0.00 0.00 61.69 62.00 1jsa s THR 167 Cb -0.22 -3.86 0.35 0.00 0.01 0.00 0.00 72.50 68.78 1jsa s THR 167 CO 0.20 -0.38 2.08 1.05 -0.69 0.00 0.00 174.62 176.88 1jsa h GLU 168 N 1.08 0.00 0.60 4.92 4.11 -1.95 0.97 114.58 124.32 1jsa h GLU 168 Ca -0.52 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.89 1jsa h GLU 168 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1jsa h GLU 168 CO 0.61 0.00 -0.29 -0.22 0.07 0.00 0.00 179.01 179.18 1jsa h LYS 169 N 0.00 -0.78 0.02 1.06 3.64 -1.92 -3.30 116.57 115.29 1jsa h LYS 169 Ca 0.00 0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 1jsa h LYS 169 Cb 0.13 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1jsa h LYS 169 CO 0.00 -0.48 -0.97 0.93 -2.27 0.00 0.00 179.45 176.66 1jsa h GLU 170 N -1.14 0.11 0.00 1.90 5.08 -1.87 -3.16 114.58 115.49 1jsa h GLU 170 Ca -0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1jsa h GLU 170 Cb 0.66 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jsa h GLU 170 CO 0.14 0.99 0.57 0.35 -1.00 0.00 0.00 179.01 180.05 1jsa h PHE 171 N 0.05 0.00 0.10 4.33 3.04 -0.89 1.01 116.94 124.58 1jsa h PHE 171 Ca -0.04 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.56 1jsa h PHE 171 Cb 1.66 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.14 1jsa h PHE 171 CO 0.02 0.00 -1.94 -0.89 -2.02 0.00 0.00 178.31 173.48 1jsa n ILE 172 N -2.13 1.72 -0.02 1.41 5.41 -1.19 -4.09 119.36 120.47 1jsa n ILE 172 Ca -0.01 -0.56 -0.09 0.00 1.00 0.00 0.00 62.75 63.10 1jsa n ILE 172 Cb 0.58 -1.76 -0.07 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.11 -0.08 -1.71 0.38 4.39 0.76 -1.74 114.58 116.48 1jsa h GLU 173 Ca -0.43 0.01 0.50 0.00 0.34 0.00 0.00 59.36 59.78 1jsa h GLU 173 Cb 1.91 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 30.50 1jsa h GLU 173 CO 0.02 0.43 1.21 0.78 -1.16 0.00 0.00 179.01 180.30 1jsa h GLY 174 N -0.95 0.19 0.52 -3.84 0.00 -0.91 1.86 103.07 99.93 1jsa h GLY 174 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1jsa h GLY 174 CO 0.01 -0.06 -1.58 -1.30 0.00 0.00 0.00 176.54 173.62 1jsa n THR 175 N -4.10 0.53 0.04 4.70 -2.24 -1.23 -4.41 114.28 107.56 1jsa n THR 175 Ca 0.39 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1jsa n THR 175 Cb 1.76 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.00 -0.15 0.00 3.22 7.12 0.38 -3.40 115.31 122.48 1jsa h LEU 176 Ca -0.07 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1jsa h LEU 176 Cb 1.20 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1jsa h LEU 176 CO 0.01 0.43 0.00 0.00 -0.13 0.00 0.00 178.44 178.75 1jsa n ALA 177 N -2.57 0.00 -2.63 1.25 0.00 -0.45 -4.32 120.51 111.79 1jsa n ALA 177 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1jsa n ALA 177 Cb 0.27 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.88 7.11 0.14 0.00 0.01 -1.26 -4.94 114.94 113.12 1jsa s ASN 178 Ca 0.00 1.33 0.04 0.00 -0.71 0.00 0.00 52.86 53.52 1jsa s ASN 178 Cb 0.00 -2.45 -0.10 0.00 0.41 0.00 0.00 41.25 39.10 1jsa s ASN 178 CO 0.00 -0.10 1.32 0.11 -1.51 0.00 0.00 177.10 176.92 1jsa h LYS 179 N 6.47 0.09 0.00 -0.60 1.57 -1.80 -3.17 116.57 119.14 1jsa h LYS 179 Ca -0.42 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1jsa h LYS 179 Cb 1.20 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1jsa h LYS 179 CO 0.74 0.98 0.56 0.93 -0.57 0.00 0.00 179.45 182.09 1jsa h GLU 180 N 0.04 0.00 0.03 3.15 3.07 -1.92 1.67 114.58 120.62 1jsa h GLU 180 Ca -0.04 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.54 1jsa h GLU 180 Cb 1.66 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.53 1jsa h GLU 180 CO 0.14 0.00 -1.57 0.82 -1.40 0.00 0.00 179.01 177.00 1jsa h ILE 181 N 0.00 1.04 0.00 3.13 2.04 -1.87 -3.10 117.51 118.76 1jsa h ILE 181 Ca 0.00 -2.83 -0.04 0.00 1.00 0.00 0.00 64.86 62.99 1jsa h ILE 181 Cb 1.11 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1jsa h ILE 181 CO 0.00 0.67 -0.20 0.25 0.00 0.00 0.00 178.15 178.86 1jsa h LEU 182 N 0.02 0.00 0.00 1.44 5.85 0.23 -3.02 115.31 119.82 1jsa h LEU 182 Ca -0.24 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 1jsa h LEU 182 Cb 1.97 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 1jsa h LEU 182 CO 0.10 0.20 -1.17 -0.09 -0.34 0.00 0.00 178.44 177.14 1jsa h ARG 183 N 0.00 0.00 0.03 1.25 2.43 -1.52 -3.32 114.38 113.25 1jsa h ARG 183 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jsa h ARG 183 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1jsa h ARG 183 CO 0.03 0.39 -0.01 1.25 -1.51 0.00 0.00 179.97 180.11 1jsa h LEU 184 N 0.00 -0.03 -3.37 3.80 7.12 -1.50 -3.31 115.31 118.02 1jsa h LEU 184 Ca -0.12 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.86 1jsa h LEU 184 Cb 1.56 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.69 1jsa h LEU 184 CO 0.06 0.03 -0.06 2.30 -0.13 0.00 0.00 178.44 180.64 1jsa n ILE 185 N -2.38 1.89 -1.42 4.05 -5.35 -1.15 -4.70 119.36 110.30 1jsa n ILE 185 Ca -0.00 -0.61 -0.40 0.00 -0.27 0.00 0.00 62.75 61.47 1jsa n ILE 185 Cb 0.01 -1.53 -0.02 0.00 -1.74 0.00 0.00 39.64 36.36 1jsa n ILE 185 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1jsa n GLN 186 N 1.79 2.59 -0.84 6.28 7.27 -1.25 -4.95 117.38 128.28 1jsa n GLN 186 Ca 0.08 -2.24 -0.34 0.00 0.07 0.00 0.00 57.00 54.58 1jsa n GLN 186 Cb 0.50 -3.03 0.10 0.00 2.41 0.00 0.00 30.24 30.22 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1jsa n PHE 187 N 5.84 -2.29 -1.39 3.69 -1.74 -1.26 -5.10 117.46 115.21 1jsa n PHE 187 Ca 0.55 0.17 0.00 0.00 -0.56 0.00 0.00 57.45 57.62 1jsa n PHE 187 Cb 0.34 -1.70 0.00 0.00 1.52 0.00 0.00 39.48 39.64 1jsa n PHE 187 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29