#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa n ASN 2 N 0.00 0.00 -2.00 1.61 6.94 -1.26 -5.16 115.26 115.39 1jsa n ASN 2 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jsa n ASN 2 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1jsa n ASN 2 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 3 N 0.00 0.00 0.00 0.53 7.64 -1.26 -5.10 113.62 115.43 1jsa n SER 3 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1jsa n SER 3 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1jsa n SER 3 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1jsa n LYS 4 N -1.00 0.00 -1.12 1.43 2.85 -1.26 -4.89 118.16 114.17 1jsa n LYS 4 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 1jsa n LYS 4 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1jsa n LYS 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1jsa n SER 5 N 0.00 -5.05 0.10 -5.58 2.88 -1.26 -4.81 113.62 99.90 1jsa n SER 5 Ca 0.00 0.10 0.13 0.00 -1.33 0.00 0.00 58.87 57.77 1jsa n SER 5 Cb 0.00 -2.91 0.31 0.00 -0.75 0.00 0.00 64.21 60.86 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 0.00 2.00 0.46 0.00 -2.05 -3.17 103.07 100.31 1jsa h GLY 6 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jsa h GLY 6 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.66 1jsa h ALA 7 N 2.46 1.00 0.00 3.60 0.00 -2.02 -3.47 119.26 120.83 1jsa h ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jsa h ALA 7 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jsa h ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 179.25 180.72 1jsa n LEU 8 N -2.92 0.00 0.00 0.00 -0.00 -1.20 -4.61 117.00 108.27 1jsa n LEU 8 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1jsa n LEU 8 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1jsa n LEU 8 CO 0.33 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.18 1jsa n SER 9 N -0.11 0.00 0.15 1.45 3.41 -1.26 -4.21 113.62 113.04 1jsa n SER 9 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1jsa n SER 9 Cb 0.00 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 64.71 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jsa h LYS 10 N 0.00 0.00 0.09 4.33 1.57 -1.98 2.57 116.57 123.15 1jsa h LYS 10 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1jsa h LYS 10 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1jsa h LYS 10 CO 0.00 0.00 -1.77 0.93 -0.57 0.00 0.00 179.45 178.04 1jsa h GLU 11 N 0.00 0.20 0.00 3.15 3.07 -1.95 -3.29 114.58 115.76 1jsa h GLU 11 Ca 0.15 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 1jsa h GLU 11 Cb 0.99 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1jsa h GLU 11 CO -0.00 1.00 -0.10 0.82 -1.40 0.00 0.00 179.01 179.33 1jsa h ILE 12 N 0.05 0.59 -1.15 3.13 2.04 -0.05 -3.31 117.51 118.81 1jsa h ILE 12 Ca -0.33 -1.46 0.33 0.00 1.00 0.00 0.00 64.86 64.40 1jsa h ILE 12 Cb 2.03 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 39.13 1jsa h ILE 12 CO 0.11 0.20 0.74 -0.07 0.00 0.00 0.00 178.15 179.13 1jsa h LEU 13 N -1.00 0.35 -1.54 1.44 3.38 0.39 2.09 115.31 120.42 1jsa h LEU 13 Ca -0.02 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1jsa h LEU 13 Cb 0.41 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1jsa h LEU 13 CO -0.01 -0.02 0.55 -0.08 0.09 0.00 0.00 178.44 178.97 1jsa h GLU 14 N 0.26 0.00 -0.00 1.13 4.57 -1.65 2.93 114.58 121.83 1jsa h GLU 14 Ca 0.67 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 1jsa h GLU 14 Cb 1.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 1jsa h GLU 14 CO -0.33 0.00 -0.12 0.39 -1.18 0.00 0.00 179.01 177.78 1jsa n GLU 15 N -3.00 0.37 -0.01 1.92 1.02 0.71 -4.47 120.64 117.18 1jsa n GLU 15 Ca 0.02 -0.10 0.01 0.00 -0.02 0.00 0.00 57.16 57.07 1jsa n GLU 15 Cb 0.63 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1jsa n LEU 16 N -1.23 0.01 0.00 -4.62 -0.00 0.98 0.38 117.00 112.52 1jsa n LEU 16 Ca 0.11 0.06 0.05 0.00 -0.00 0.00 0.00 56.01 56.23 1jsa n LEU 16 Cb 0.29 -0.03 0.23 0.00 -0.00 0.00 0.00 43.42 43.92 1jsa n LEU 16 CO 0.26 -0.06 0.67 0.00 -0.00 0.00 0.00 177.39 178.26 1jsa n GLN 17 N -3.12 0.01 -0.27 1.47 1.13 -1.26 -4.40 117.38 110.93 1jsa n GLN 17 Ca 0.01 0.32 -0.22 0.00 -1.94 0.00 0.00 57.00 55.18 1jsa n GLN 17 Cb 0.04 -1.51 0.21 0.00 0.11 0.00 0.00 30.24 29.09 1jsa n GLN 17 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1jsa n LEU 18 N -1.52 0.00 0.00 1.08 7.94 1.23 -4.59 117.00 121.14 1jsa n LEU 18 Ca 0.03 -0.62 0.00 0.00 -1.11 0.00 0.00 56.01 54.30 1jsa n LEU 18 Cb 0.13 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1jsa n LEU 18 CO 0.10 -2.53 0.27 -3.20 -1.11 0.00 0.00 177.39 170.92 1jsa n ASN 19 N -3.98 0.00 -2.00 1.96 4.05 -1.26 -4.82 115.26 109.21 1jsa n ASN 19 Ca 0.10 0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.22 1jsa n ASN 19 Cb 0.43 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.34 1jsa n ASN 19 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1jsa n THR 20 N -0.94-12.83 -1.81 -0.44 -1.04 -1.26 -5.01 114.28 90.95 1jsa n THR 20 Ca 0.00 3.18 0.00 0.00 -2.04 0.00 0.00 64.05 65.19 1jsa n THR 20 Cb 0.10 -5.41 0.00 0.00 -1.82 0.00 0.00 70.33 63.20 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 1.76 3.72 -0.55 -2.82 0.00 -1.26 -4.90 118.16 114.12 1jsa n LYS 21 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.15 1jsa n LYS 21 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 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 0.00 1.00 -2.72 5.64 7.35 -1.26 -4.44 117.46 123.03 1jsa n PHE 22 Ca 0.00 -1.58 -0.01 0.00 -0.76 0.00 0.00 57.45 55.10 1jsa n PHE 22 Cb 0.00 -1.39 -0.01 0.00 0.35 0.00 0.00 39.48 38.43 1jsa n PHE 22 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1jsa n THR 23 N 4.37-11.80 0.01 -2.13 -1.04 -1.26 -4.15 114.28 98.28 1jsa n THR 23 Ca 0.33 1.95 0.00 0.00 -2.04 0.00 0.00 64.05 64.29 1jsa n THR 23 Cb 0.10 -6.72 0.02 0.00 -1.82 0.00 0.00 70.33 61.91 1jsa n THR 23 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1jsa n GLU 24 N 0.90 0.00 0.13 -2.82 0.00 -1.26 0.19 120.64 117.78 1jsa n GLU 24 Ca -0.07 0.20 -0.00 0.00 0.00 0.00 0.00 57.16 57.30 1jsa n GLU 24 Cb 0.12 -1.85 0.06 0.00 0.00 0.00 0.00 31.44 29.77 1jsa n GLU 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1jsa h GLU 25 N 0.00 0.00 0.04 3.44 5.08 -1.97 -3.29 114.58 117.88 1jsa h GLU 25 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1jsa h GLU 25 Cb 0.68 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1jsa h GLU 25 CO 0.00 0.63 -1.81 0.39 -1.00 0.00 0.00 179.01 177.23 1jsa n GLU 26 N -3.38 0.67 0.16 2.33 -0.58 0.51 -3.93 120.64 116.42 1jsa n GLU 26 Ca 0.01 0.28 0.04 0.00 -0.42 0.00 0.00 57.16 57.07 1jsa n GLU 26 Cb 0.74 -1.76 0.21 0.00 -0.57 0.00 0.00 31.44 30.05 1jsa n GLU 26 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 27 N -3.17 0.20 -0.33 -4.62 -0.00 -1.11 -0.89 117.00 107.07 1jsa n LEU 27 Ca -0.22 0.42 0.18 0.00 -0.00 0.00 0.00 56.01 56.39 1jsa n LEU 27 Cb 1.05 -0.30 0.42 0.00 -0.00 0.00 0.00 43.42 44.59 1jsa n LEU 27 CO 0.44 -0.49 1.20 0.28 -0.00 0.00 0.00 177.39 178.82 1jsa h SER 28 N 0.00 0.61 0.98 1.45 0.02 -1.73 1.14 113.55 116.02 1jsa h SER 28 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jsa h SER 28 Cb 0.94 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jsa h SER 28 CO 0.00 0.16 0.00 -1.20 -1.14 0.00 0.00 176.83 174.65 1jsa n SER 29 N -4.73 0.69 0.00 3.07 7.64 -0.06 -2.49 113.62 117.74 1jsa n SER 29 Ca 0.25 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.86 1jsa n SER 29 Cb 0.73 -0.79 0.63 0.00 -1.01 0.00 0.00 64.21 63.77 1jsa n SER 29 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1jsa n TRP 30 N -2.22 0.00 0.02 1.43 -0.00 0.39 -2.80 117.44 114.27 1jsa n TRP 30 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.42 1jsa n TRP 30 Cb 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.47 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 0.16 0.00 5.87 3.20 -1.55 -3.31 116.97 121.34 1jsa h TYR 31 Ca 0.00 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.63 1jsa h TYR 31 Cb 0.00 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1jsa h TYR 31 CO 0.00 1.17 -0.71 1.96 -1.64 0.00 0.00 178.16 178.94 1jsa h GLN 32 N 0.02 0.00 -0.57 1.82 4.20 -1.74 -3.15 115.11 115.70 1jsa h GLN 32 Ca -0.22 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.65 1jsa h GLN 32 Cb 1.96 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.72 1jsa h GLN 32 CO 0.11 0.91 0.65 0.77 -0.67 0.00 0.00 178.83 180.61 1jsa h SER 33 N -1.00 0.00 0.82 1.46 0.02 -1.75 1.08 113.55 114.19 1jsa h SER 33 Ca -0.19 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.52 1jsa h SER 33 Cb 1.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 1jsa h SER 33 CO -0.12 0.00 -1.24 0.15 -1.14 0.00 0.00 176.83 174.49 1jsa h PHE 34 N 0.00 0.02 0.00 3.45 3.04 -1.66 -2.27 116.94 119.53 1jsa h PHE 34 Ca 0.27 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1jsa h PHE 34 Cb 1.58 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 40.08 1jsa h PHE 34 CO 0.00 1.02 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.97 1jsa h LEU 35 N 0.00 0.00 0.04 0.59 3.38 0.12 0.32 115.31 119.77 1jsa h LEU 35 Ca -0.10 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 1jsa h LEU 35 Cb 1.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 1jsa h LEU 35 CO 0.12 0.27 -1.73 0.11 0.09 0.00 0.00 178.44 177.30 1jsa h LYS 36 N 0.00 0.08 0.00 1.13 1.57 -1.41 -3.25 116.57 114.68 1jsa h LYS 36 Ca -0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1jsa h LYS 36 Cb 0.56 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jsa h LYS 36 CO 0.03 0.72 -0.22 0.93 -0.57 0.00 0.00 179.45 180.35 1jsa h GLU 37 N 0.02 0.00 -0.66 3.15 4.39 -1.15 -3.43 114.58 116.90 1jsa h GLU 37 Ca -0.30 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.53 1jsa h GLU 37 Cb 2.01 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 30.45 1jsa h GLU 37 CO 0.09 0.00 -0.16 0.00 -1.16 0.00 0.00 179.01 177.78 1jsa s PRO 39 N 2.89 -2.42 0.18 0.00 0.02 -1.23 -4.20 135.00 130.25 1jsa s PRO 39 Ca 0.15 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.42 1jsa s PRO 39 Cb -0.09 -1.43 0.00 0.00 0.02 0.00 0.00 34.50 33.01 1jsa s PRO 39 CO -0.21 -4.57 0.00 -1.13 -0.33 0.00 0.00 177.00 170.76 1jsa n SER 40 N -5.43 -6.19 0.07 2.53 3.41 -1.26 -4.86 113.62 101.89 1jsa n SER 40 Ca 0.11 0.78 -0.05 0.00 -0.26 0.00 0.00 58.87 59.45 1jsa n SER 40 Cb 0.59 -2.79 -0.09 0.00 -0.26 0.00 0.00 64.21 61.66 1jsa n SER 40 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jsa h GLY 41 N 2.01 0.00 -7.23 5.00 0.00 -1.96 -3.43 103.07 97.46 1jsa h GLY 41 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1jsa h GLY 41 CO 0.00 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 176.86 1jsa s ARG 42 N -2.77 3.87 -0.28 4.80 0.52 -1.26 -3.83 118.95 120.00 1jsa s ARG 42 Ca 0.01 -0.04 -0.13 0.00 -0.52 0.00 0.00 55.73 55.05 1jsa s ARG 42 Cb 0.09 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1jsa s ARG 42 CO 0.80 -0.40 0.28 0.42 0.02 0.00 0.00 175.30 176.43 1jsa s ILE 43 N 2.15 5.24 0.94 1.52 1.01 -0.59 -4.86 121.20 126.61 1jsa s ILE 43 Ca 0.16 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.04 1jsa s ILE 43 Cb -0.16 -3.62 0.20 0.00 0.01 0.00 0.00 42.46 38.89 1jsa s ILE 43 CO 0.11 0.20 1.29 -0.89 0.00 0.00 0.00 174.94 175.64 1jsa s THR 44 N 1.92 2.01 0.11 2.92 2.01 -1.26 -0.77 115.64 122.59 1jsa s THR 44 Ca 0.11 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1jsa s THR 44 Cb -0.16 -2.92 -0.22 0.00 0.01 0.00 0.00 72.50 69.21 1jsa s THR 44 CO 0.10 0.00 1.25 -0.09 -0.69 0.00 0.00 174.62 175.19 1jsa h ARG 45 N -1.53 0.20 0.00 4.92 2.43 -1.98 -2.57 114.38 115.84 1jsa h ARG 45 Ca -0.43 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.45 1jsa h ARG 45 Cb 1.23 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1jsa h ARG 45 CO 0.36 1.09 -0.03 0.37 -1.51 0.00 0.00 179.97 180.24 1jsa h GLN 46 N 0.08 0.00 0.05 0.20 4.15 -2.00 -2.57 115.11 115.02 1jsa h GLN 46 Ca -0.08 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.02 1jsa h GLN 46 Cb 1.77 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.42 1jsa h GLN 46 CO 0.17 0.03 -1.81 1.49 -1.93 0.00 0.00 178.83 176.78 1jsa h GLU 47 N 0.00 0.11 -0.91 1.69 4.81 -1.94 -3.37 114.58 114.97 1jsa h GLU 47 Ca -0.00 -0.19 0.22 0.00 -0.13 0.00 0.00 59.36 59.26 1jsa h GLU 47 Cb 0.06 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 29.35 1jsa h GLU 47 CO 0.00 0.80 -0.04 0.35 -0.73 0.00 0.00 179.01 179.39 1jsa h PHE 48 N 0.03 -0.15 -0.50 0.92 3.57 -1.03 2.12 116.94 121.90 1jsa h PHE 48 Ca -0.34 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.38 1jsa h PHE 48 Cb 2.02 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.95 1jsa h PHE 48 CO 0.03 -0.37 0.51 0.37 -2.23 0.00 0.00 178.31 176.62 1jsa h GLN 49 N 0.04 0.00 0.00 1.11 5.75 -1.72 0.48 115.11 120.77 1jsa h GLN 49 Ca 0.51 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.90 1jsa h GLN 49 Cb 0.96 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1jsa h GLN 49 CO -0.86 0.00 -0.59 1.15 -2.65 0.00 0.00 178.83 175.88 1jsa h THR 50 N 0.00 0.84 0.00 2.39 2.02 0.32 -3.24 112.91 115.24 1jsa h THR 50 Ca 0.24 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1jsa h THR 50 Cb 1.25 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1jsa h THR 50 CO -0.00 0.48 0.00 -0.38 0.37 0.00 0.00 175.52 175.99 1jsa n ILE 51 N -3.19 0.00 -0.14 3.11 5.41 0.16 -3.59 119.36 121.11 1jsa n ILE 51 Ca 0.01 0.50 0.25 0.00 1.00 0.00 0.00 62.75 64.51 1jsa n ILE 51 Cb 0.75 -1.49 0.42 0.00 -0.71 0.00 0.00 39.64 38.60 1jsa n ILE 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1jsa h TYR 52 N 0.00 0.00 0.05 1.39 3.20 -1.49 2.11 116.97 122.23 1jsa h TYR 52 Ca 0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1jsa h TYR 52 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1jsa h TYR 52 CO 0.00 0.00 -1.07 0.77 -1.64 0.00 0.00 178.16 176.22 1jsa h SER 53 N 0.00 0.22 -0.10 -2.11 0.02 -1.71 -3.17 113.55 106.70 1jsa h SER 53 Ca 0.43 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1jsa h SER 53 Cb 2.73 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 65.19 1jsa h SER 53 CO -0.00 1.14 0.13 0.50 -1.14 0.00 0.00 176.83 177.46 1jsa h LYS 54 N 0.05 0.00 -0.00 3.45 1.63 0.34 0.13 116.57 122.17 1jsa h LYS 54 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1jsa h LYS 54 Cb 1.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1jsa h LYS 54 CO 0.16 0.00 -0.72 1.19 -3.45 0.00 0.00 179.45 176.63 1jsa n PHE 55 N -3.70 0.00 -2.86 1.91 3.72 -1.20 -4.55 117.46 110.79 1jsa n PHE 55 Ca -0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1jsa n PHE 55 Cb 0.23 -0.07 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.16 -0.99 0.21 1.38 3.72 0.28 -4.93 117.46 115.97 1jsa n PHE 56 Ca 0.06 -2.77 0.04 0.00 -0.05 0.00 0.00 57.45 54.74 1jsa n PHE 56 Cb 0.36 0.56 0.45 0.00 -0.94 0.00 0.00 39.48 39.90 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N 2.81 0.00 0.00 -1.08 0.13 -1.31 -3.33 132.00 129.23 1jsa h PRO 57 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1jsa h PRO 57 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jsa h PRO 57 CO 0.29 0.26 0.00 -1.91 -0.23 0.00 0.00 178.00 176.41 1jsa n GLU 58 N -4.19 0.00 0.00 0.86 2.13 -1.26 -4.70 120.64 113.48 1jsa n GLU 58 Ca -0.02 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1jsa n GLU 58 Cb 0.32 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.09 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 -1.15 0.00 -3.15 4.31 0.00 -1.25 -5.01 120.51 114.26 1jsa n ALA 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1jsa n ALA 59 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 1.47 -0.20 0.00 8.00 -1.23 -4.90 116.55 119.69 1jsa n ASP 60 Ca 0.00 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1jsa n ASP 60 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 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 0.24 0.18 -0.32 -0.24 -0.04 -1.26 -3.78 135.00 129.78 1jsa n PRO 61 Ca 0.26 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.89 1jsa n PRO 61 Cb 0.61 -1.04 0.37 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.32 0.38 0.04 0.54 2.10 -1.91 2.20 116.57 120.25 1jsa h LYS 62 Ca 0.00 -0.02 -0.22 0.00 -2.00 0.00 0.00 60.65 58.40 1jsa h LYS 62 Cb 0.04 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1jsa h LYS 62 CO 0.00 0.25 -1.02 0.00 -2.00 0.00 0.00 179.45 176.68 1jsa h ALA 63 N 1.77 0.35 0.00 0.07 0.00 -1.85 -3.02 119.26 116.57 1jsa h ALA 63 Ca 0.63 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jsa h ALA 63 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jsa h ALA 63 CO -0.56 1.01 -0.21 -0.92 0.00 0.00 0.00 179.25 178.56 1jsa h TYR 64 N 0.08 0.00 0.00 0.00 3.20 -0.50 -3.17 116.97 116.57 1jsa h TYR 64 Ca -0.06 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.63 1jsa h TYR 64 Cb 1.71 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.96 1jsa h TYR 64 CO 0.03 0.06 -0.84 0.00 -1.64 0.00 0.00 178.16 175.78 1jsa h ALA 65 N 1.94 0.47 0.00 1.82 0.00 0.34 -3.18 119.26 120.64 1jsa h ALA 65 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1jsa h ALA 65 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jsa h ALA 65 CO 0.01 1.04 -0.22 1.96 0.00 0.00 0.00 179.25 182.04 1jsa h GLN 66 N 0.00 0.00 0.03 0.00 4.20 -1.56 -3.24 115.11 114.54 1jsa h GLN 66 Ca -0.01 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.48 1jsa h GLN 66 Cb 1.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1jsa h GLN 66 CO 0.11 0.00 -0.99 0.45 -0.67 0.00 0.00 178.83 177.73 1jsa h HIS 67 N 0.00 0.17 0.00 2.96 3.86 -1.53 -3.15 115.15 117.46 1jsa h HIS 67 Ca 0.00 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1jsa h HIS 67 Cb 0.78 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 1jsa h HIS 67 CO 0.00 1.02 -0.09 0.28 0.86 0.00 0.00 177.93 180.00 1jsa h VAL 68 N 0.04 0.57 0.71 2.45 2.07 -1.58 -2.89 116.25 117.62 1jsa h VAL 68 Ca -0.04 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1jsa h VAL 68 Cb 1.69 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1jsa h VAL 68 CO 0.14 0.09 -0.34 0.15 0.02 0.00 0.00 177.57 177.63 1jsa h PHE 69 N 0.00 -0.88 -0.95 1.57 3.04 -1.68 -2.97 116.94 115.07 1jsa h PHE 69 Ca -0.00 -0.02 0.20 0.00 3.98 0.00 0.00 57.97 62.13 1jsa h PHE 69 Cb 0.25 0.29 -0.08 0.00 2.56 0.00 0.00 35.95 38.97 1jsa h PHE 69 CO 0.00 -0.54 0.61 0.00 -2.02 0.00 0.00 178.31 176.36 1jsa h ARG 70 N -1.22 0.53 -1.04 1.11 2.47 -1.65 0.36 114.38 114.94 1jsa h ARG 70 Ca -0.10 -0.03 0.29 0.00 -1.26 0.00 0.00 59.98 58.88 1jsa h ARG 70 Cb 0.74 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.88 1jsa h ARG 70 CO 0.16 0.35 0.73 0.77 0.56 0.00 0.00 179.97 182.54 1jsa h SER 71 N 0.55 0.15 0.00 7.04 0.02 -1.34 -3.43 113.55 116.53 1jsa h SER 71 Ca 0.51 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1jsa h SER 71 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1jsa h SER 71 CO -0.25 0.03 0.00 0.33 -1.14 0.00 0.00 176.83 175.80 1jsa n PHE 72 N -4.35 0.00 0.00 3.45 -0.00 0.13 -4.64 117.46 112.05 1jsa n PHE 72 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.68 1jsa n PHE 72 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.51 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jsa n ASP 73 N 0.00 0.00 0.00 -2.13 -0.08 -1.24 -4.53 116.55 108.56 1jsa n ASP 73 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jsa n ASP 73 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jsa n ALA 74 N 4.61 0.00 0.00 -1.67 0.00 -1.26 -4.46 120.51 117.73 1jsa n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 2.43 0.00 0.00 0.23 -1.26 -4.98 115.26 111.68 1jsa n ASN 75 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jsa n ASN 75 Cb 0.00 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jsa n SER 76 N -1.49 0.00 0.04 0.53 3.41 -1.26 -4.97 113.62 109.88 1jsa n SER 76 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1jsa n SER 76 Cb 0.26 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 0.61 0.00 4.04 2.03 -1.26 -4.91 116.55 117.06 1jsa n ASP 77 Ca 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1jsa n ASP 77 Cb 0.00 0.77 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.32 0.00 3.29 0.27 0.00 -1.26 -4.79 105.19 104.02 1jsa n GLY 78 Ca 0.01 0.00 -0.09 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 -0.74 0.09 -0.36 2.61 -4.23 -1.26 -4.79 115.64 106.95 1jsa s THR 79 Ca 0.00 -0.99 -0.21 0.00 -1.18 0.00 0.00 61.69 59.31 1jsa s THR 79 Cb 0.00 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.45 1jsa s THR 79 CO 0.00 -0.43 0.69 -0.76 -0.54 0.00 0.00 174.62 173.58 1jsa s LEU 80 N -2.86 4.23 0.39 4.79 1.43 0.05 -4.83 118.68 121.87 1jsa s LEU 80 Ca 0.07 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1jsa s LEU 80 Cb 0.03 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1jsa s LEU 80 CO -0.09 -0.65 0.69 -0.62 0.23 0.00 0.00 176.35 175.91 1jsa s ASP 81 N 1.82 6.40 0.23 2.29 2.15 -1.26 -1.55 116.67 126.76 1jsa s ASP 81 Ca 0.27 0.88 -0.12 0.00 0.43 0.00 0.00 52.55 54.01 1jsa s ASP 81 Cb -0.14 -2.22 0.31 0.00 -0.30 0.00 0.00 42.92 40.57 1jsa s ASP 81 CO 0.16 -0.38 1.60 0.15 -0.17 0.00 0.00 175.17 176.53 1jsa h PHE 82 N 1.04 -0.47 -0.55 -5.34 3.04 -1.97 1.01 116.94 113.70 1jsa h PHE 82 Ca -0.47 0.07 0.09 0.00 3.98 0.00 0.00 57.97 61.64 1jsa h PHE 82 Cb 1.20 0.33 -0.07 0.00 2.56 0.00 0.00 35.95 39.96 1jsa h PHE 82 CO 0.58 -0.34 0.16 -0.22 -2.02 0.00 0.00 178.31 176.46 1jsa h LYS 83 N -0.01 0.30 0.00 1.11 3.11 -1.95 -0.30 116.57 118.83 1jsa h LYS 83 Ca 0.36 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 58.05 1jsa h LYS 83 Cb 0.57 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1jsa h LYS 83 CO -0.80 0.20 -0.63 0.93 -2.81 0.00 0.00 179.45 176.34 1jsa h GLU 84 N 0.31 0.00 -0.69 1.90 5.08 -0.93 -3.18 114.58 117.06 1jsa h GLU 84 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1jsa h GLU 84 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1jsa h GLU 84 CO -0.32 0.63 0.33 -0.92 -1.00 0.00 0.00 179.01 177.73 1jsa h TYR 85 N 0.00 0.99 -0.05 4.33 3.20 0.25 -2.65 116.97 123.05 1jsa h TYR 85 Ca -0.01 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.85 1jsa h TYR 85 Cb 1.22 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1jsa h TYR 85 CO 0.00 0.74 -0.18 0.28 -1.64 0.00 0.00 178.16 177.36 1jsa h VAL 86 N 0.96 0.56 -0.31 1.81 2.07 -1.17 -1.19 116.25 118.98 1jsa h VAL 86 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 1jsa h VAL 86 Cb 0.12 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1jsa h VAL 86 CO -0.03 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.76 1jsa h ILE 87 N -0.27 0.45 0.04 4.57 1.08 -1.59 0.62 117.51 122.41 1jsa h ILE 87 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1jsa h ILE 87 Cb 0.36 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 1jsa h ILE 87 CO -0.20 0.00 -0.31 0.00 -0.69 0.00 0.00 178.15 176.94 1jsa h ALA 88 N 1.01 -0.48 0.00 1.87 0.00 -1.10 0.82 119.26 121.38 1jsa h ALA 88 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jsa h ALA 88 Cb 0.41 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1jsa h ALA 88 CO -0.41 -0.84 0.00 -0.07 0.00 0.00 0.00 179.25 177.93 1jsa h LEU 89 N -0.49 0.00 0.00 0.00 -0.00 -0.58 -2.56 115.31 111.68 1jsa h LEU 89 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.66 1jsa h LEU 89 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1jsa h LEU 89 CO -0.24 0.00 -1.10 -0.74 -0.00 0.00 0.00 178.44 176.37 1jsa h HIS 90 N 0.00 0.92 -0.17 1.13 2.76 0.26 -3.31 115.15 116.73 1jsa h HIS 90 Ca 0.00 -0.53 -0.11 0.00 -2.20 0.00 0.00 60.37 57.53 1jsa h HIS 90 Cb 0.27 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1jsa h HIS 90 CO 0.00 1.37 -0.32 0.52 -1.30 0.00 0.00 177.93 178.20 1jsa h MET 91 N 0.31 0.53 -2.84 5.26 2.86 -0.85 -2.91 114.93 117.28 1jsa h MET 91 Ca -0.14 -0.33 -0.31 0.00 -2.06 0.00 0.00 59.70 56.86 1jsa h MET 91 Cb 1.75 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 1jsa h MET 91 CO 0.21 0.94 1.53 2.41 1.06 0.00 0.00 176.91 183.06 1jsa n THR 92 N -4.34 2.56 0.05 2.22 -1.04 -1.08 -3.64 114.28 109.01 1jsa n THR 92 Ca -0.06 -1.43 0.00 0.00 -2.04 0.00 0.00 64.05 60.52 1jsa n THR 92 Cb 0.49 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1jsa n THR 92 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1jsa n SER 93 N 3.38 -0.94 -4.07 8.00 2.88 -1.24 -4.98 113.62 116.65 1jsa n SER 93 Ca 0.43 0.57 -0.30 0.00 -1.33 0.00 0.00 58.87 58.24 1jsa n SER 93 Cb 0.38 1.24 0.20 0.00 -0.75 0.00 0.00 64.21 65.28 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jsa s ALA 94 N -2.00 1.74 0.00 -1.46 0.00 -1.10 -5.07 121.76 113.87 1jsa s ALA 94 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1jsa s ALA 94 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1jsa s ALA 94 CO 0.00 -2.76 0.00 0.41 0.00 0.00 0.00 175.76 173.41 1jsa n GLY 95 N -2.87 2.96 0.89 0.00 0.00 -1.26 -4.91 105.19 100.00 1jsa n GLY 95 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 -0.22 1.61 0.00 -1.26 -4.93 118.16 113.35 1jsa n LYS 96 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 1jsa n LYS 96 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 1jsa n LYS 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1jsa n THR 97 N -1.67 1.38 -3.98 3.15 -1.04 -1.26 -4.81 114.28 106.05 1jsa n THR 97 Ca 0.00 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 61.37 1jsa n THR 97 Cb 0.00 -0.89 -0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1jsa n THR 97 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jsa n ASN 98 N 0.19 -2.39 -1.99 8.00 3.02 -1.26 -4.80 115.26 116.03 1jsa n ASN 98 Ca 0.11 -0.92 -0.15 0.00 -0.03 0.00 0.00 54.58 53.59 1jsa n ASN 98 Cb 0.71 -3.32 -0.04 0.00 -0.61 0.00 0.00 39.78 36.52 1jsa n ASN 98 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1jsa n GLN 99 N -4.45 1.83 -2.73 3.52 -0.06 -1.26 -3.88 117.38 110.36 1jsa n GLN 99 Ca -0.11 -1.32 -0.01 0.00 -2.00 0.00 0.00 57.00 53.55 1jsa n GLN 99 Cb 0.59 -1.71 0.10 0.00 -4.06 0.00 0.00 30.24 25.17 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1jsa n LYS 100 N 1.19 1.49 0.00 3.69 2.85 -1.26 -4.74 118.16 121.38 1jsa n LYS 100 Ca 0.32 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.61 1jsa n LYS 100 Cb 0.63 -0.24 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 1jsa n LYS 100 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jsa n LEU 101 N -1.24 0.37 -0.14 -5.58 4.77 -1.25 -2.29 117.00 111.64 1jsa n LEU 101 Ca -0.10 0.04 0.25 0.00 -0.03 0.00 0.00 56.01 56.17 1jsa n LEU 101 Cb 0.85 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.35 1jsa n LEU 101 CO -0.08 0.00 1.23 -0.33 -1.33 0.00 0.00 177.39 176.88 1jsa h GLU 102 N 0.00 0.00 -0.29 3.23 4.39 -1.94 1.53 114.58 121.49 1jsa h GLU 102 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1jsa h GLU 102 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jsa h GLU 102 CO 0.00 0.00 -0.49 -1.49 -1.16 0.00 0.00 179.01 175.87 1jsa h TRP 103 N 0.00 1.06 -0.36 4.33 6.55 -1.95 -3.22 115.95 122.36 1jsa h TRP 103 Ca 0.43 -0.37 -0.07 0.00 0.95 0.00 0.00 58.89 59.83 1jsa h TRP 103 Cb 2.76 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 30.84 1jsa h TRP 103 CO 0.00 1.19 -0.05 0.00 -1.05 0.00 0.00 178.44 178.52 1jsa h ALA 104 N 0.68 0.49 0.00 1.49 0.00 0.26 -2.58 119.26 119.61 1jsa h ALA 104 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jsa h ALA 104 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jsa h ALA 104 CO 0.11 0.31 0.84 0.35 0.00 0.00 0.00 179.25 180.87 1jsa h PHE 105 N 0.48 0.00 0.17 0.00 3.04 -1.51 0.22 116.94 119.34 1jsa h PHE 105 Ca 0.10 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1jsa h PHE 105 Cb 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1jsa h PHE 105 CO 0.05 0.00 -0.08 1.03 -2.02 0.00 0.00 178.31 177.28 1jsa h SER 106 N 0.00 -0.19 -0.26 0.41 0.87 -1.58 -2.96 113.55 109.83 1jsa h SER 106 Ca 0.00 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1jsa h SER 106 Cb 1.68 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.62 1jsa h SER 106 CO 0.00 0.33 -0.27 0.25 -0.53 0.00 0.00 176.83 176.61 1jsa h LEU 107 N -1.03 -0.88 0.00 2.23 7.12 -0.71 0.95 115.31 122.99 1jsa h LEU 107 Ca -0.02 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1jsa h LEU 107 Cb 0.31 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1jsa h LEU 107 CO 0.04 -0.30 0.00 -1.22 -0.13 0.00 0.00 178.44 176.83 1jsa n TYR 108 N -5.39 0.00 -3.62 1.25 4.02 -0.97 -3.43 117.16 109.01 1jsa n TYR 108 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 1jsa n TYR 108 Cb 0.31 -0.18 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 1jsa n TYR 108 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1jsa n ASP 109 N -1.18 1.71 0.17 7.72 2.03 0.33 -4.38 116.55 122.95 1jsa n ASP 109 Ca 0.02 -2.92 0.10 0.00 0.52 0.00 0.00 54.79 52.51 1jsa n ASP 109 Cb 0.02 -0.67 0.62 0.00 -0.72 0.00 0.00 41.12 40.37 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 4.13 0.96 0.41 5.18 2.07 -1.62 -3.04 116.25 124.33 1jsa h VAL 110 Ca 0.19 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1jsa h VAL 110 Cb 0.80 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1jsa h VAL 110 CO 0.60 0.01 -0.20 -2.24 0.02 0.00 0.00 177.57 175.76 1jsa h ASP 111 N 0.08 -0.46 0.00 0.57 2.03 -1.91 -3.47 116.42 113.26 1jsa h ASP 111 Ca 0.07 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1jsa h ASP 111 Cb 0.19 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1jsa h ASP 111 CO -0.01 -0.17 0.00 0.61 -1.03 0.00 0.00 179.24 178.65 1jsa n GLY 112 N 0.01 0.44 0.94 7.15 0.00 -1.15 -5.08 105.19 107.51 1jsa n GLY 112 Ca -0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.78 -1.91 1.61 6.94 -1.26 -4.97 115.26 114.89 1jsa n ASN 113 Ca 0.00 -1.85 -0.11 0.00 -0.02 0.00 0.00 54.58 52.59 1jsa n ASN 113 Cb 0.00 0.23 -0.03 0.00 -2.36 0.00 0.00 39.78 37.63 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 0.02 0.25 3.19 4.83 0.00 -1.26 -4.89 105.19 107.33 1jsa n GLY 114 Ca -0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.27 -0.42 0.01 2.61 -4.23 -1.26 -3.79 115.64 106.29 1jsa s THR 115 Ca 0.00 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1jsa s THR 115 Cb 0.00 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.21 1jsa s THR 115 CO 0.00 0.07 0.27 -0.63 -0.54 0.00 0.00 174.62 173.80 1jsa s ILE 116 N 2.21 5.29 0.03 2.99 1.01 -0.44 -4.88 121.20 127.41 1jsa s ILE 116 Ca -0.03 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.86 1jsa s ILE 116 Cb -0.11 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1jsa s ILE 116 CO -0.11 0.37 -0.13 -0.55 0.00 0.00 0.00 174.94 174.52 1jsa s SER 117 N -1.67 1.50 0.52 3.58 0.15 -1.26 -2.55 113.70 113.98 1jsa s SER 117 Ca 0.27 -0.39 0.44 0.00 0.70 0.00 0.00 55.95 56.97 1jsa s SER 117 Cb -0.13 -0.11 1.65 0.00 -1.71 0.00 0.00 66.02 65.72 1jsa s SER 117 CO 0.16 0.04 1.59 0.50 1.20 0.00 0.00 173.24 176.73 1jsa h LYS 118 N 5.16 0.01 0.28 5.44 3.64 -1.91 0.37 116.57 129.56 1jsa h LYS 118 Ca -0.36 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1jsa h LYS 118 Cb 1.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1jsa h LYS 118 CO 0.45 0.01 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.53 1jsa h ASN 119 N 0.01 -0.32 -0.18 4.20 -1.24 -1.99 -1.88 115.58 114.18 1jsa h ASN 119 Ca 0.90 -0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.82 1jsa h ASN 119 Cb 3.38 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 42.49 1jsa h ASN 119 CO -0.17 -0.08 0.04 -0.33 -1.29 0.00 0.00 177.43 175.61 1jsa h GLU 120 N -0.56 0.12 -0.48 6.67 5.08 -0.62 -0.68 114.58 124.11 1jsa h GLU 120 Ca -0.04 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1jsa h GLU 120 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1jsa h GLU 120 CO 0.06 0.08 0.37 0.28 -1.00 0.00 0.00 179.01 178.80 1jsa h VAL 121 N 0.12 0.67 0.44 3.13 2.07 -1.39 -1.77 116.25 119.52 1jsa h VAL 121 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1jsa h VAL 121 Cb 0.06 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1jsa h VAL 121 CO -0.10 0.00 -0.21 0.25 0.02 0.00 0.00 177.57 177.53 1jsa h LEU 122 N 0.00 -0.50 -0.59 2.57 6.46 -0.26 0.21 115.31 123.19 1jsa h LEU 122 Ca 0.23 -0.07 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1jsa h LEU 122 Cb 0.96 0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.91 1jsa h LEU 122 CO -0.00 -0.22 -0.16 -0.33 -0.62 0.00 0.00 178.44 177.11 1jsa h GLU 123 N -0.79 -0.01 -0.10 1.25 4.39 -1.11 0.70 114.58 118.90 1jsa h GLU 123 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1jsa h GLU 123 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1jsa h GLU 123 CO 0.10 -0.01 0.03 0.82 -1.16 0.00 0.00 179.01 178.79 1jsa h ILE 124 N -0.01 1.18 -0.77 3.13 1.08 -1.42 -0.13 117.51 120.57 1jsa h ILE 124 Ca 0.28 -0.54 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 1jsa h ILE 124 Cb 0.44 1.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 1jsa h ILE 124 CO -0.61 0.16 0.47 0.58 -0.69 0.00 0.00 178.15 178.05 1jsa h VAL 125 N -0.03 1.03 0.72 1.67 2.07 0.79 -0.14 116.25 122.36 1jsa h VAL 125 Ca 0.03 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1jsa h VAL 125 Cb 0.22 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1jsa h VAL 125 CO -0.00 0.16 -0.35 0.74 0.02 0.00 0.00 177.57 178.14 1jsa h THR 126 N 0.87 0.10 -0.83 2.57 2.02 0.54 -1.09 112.91 117.09 1jsa h THR 126 Ca 0.33 -0.25 0.21 0.00 0.77 0.00 0.00 66.41 67.47 1jsa h THR 126 Cb 0.14 0.13 -0.14 0.00 -1.74 0.00 0.00 68.15 66.55 1jsa h THR 126 CO -0.16 0.01 0.12 0.00 0.37 0.00 0.00 175.52 175.86 1jsa h ALA 127 N -1.11 1.03 -0.59 6.16 0.00 -0.82 0.60 119.26 124.55 1jsa h ALA 127 Ca -0.10 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jsa h ALA 127 Cb 0.76 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1jsa h ALA 127 CO 0.16 -0.45 0.36 0.82 0.00 0.00 0.00 179.25 180.14 1jsa h ILE 128 N 0.15 1.06 -1.10 0.00 2.04 -0.87 -0.23 117.51 118.56 1jsa h ILE 128 Ca 0.49 -0.24 0.31 0.00 1.00 0.00 0.00 64.86 66.41 1jsa h ILE 128 Cb 0.93 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1jsa h ILE 128 CO -0.67 0.13 0.76 0.15 0.00 0.00 0.00 178.15 178.51 1jsa h PHE 129 N 0.70 0.29 -0.25 1.37 3.57 0.15 0.71 116.94 123.48 1jsa h PHE 129 Ca 0.24 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1jsa h PHE 129 Cb 0.03 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1jsa h PHE 129 CO -0.06 0.02 -0.46 0.87 -2.23 0.00 0.00 178.31 176.45 1jsa h LYS 130 N 0.16 0.75 -0.09 1.11 1.57 -0.63 -2.97 116.57 116.48 1jsa h LYS 130 Ca 0.57 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1jsa h LYS 130 Cb 1.91 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.27 1jsa h LYS 130 CO -0.14 1.10 -0.08 1.98 -0.57 0.00 0.00 179.45 181.74 1jsa h MET 131 N 0.49 0.13 -6.48 3.15 4.05 0.65 -3.26 114.93 113.65 1jsa h MET 131 Ca 0.01 -0.02 -0.53 0.00 -0.28 0.00 0.00 59.70 58.88 1jsa h MET 131 Cb 1.07 -0.02 0.04 0.00 -0.80 0.00 0.00 31.60 31.88 1jsa h MET 131 CO 0.10 0.22 1.14 -0.89 0.23 0.00 0.00 176.91 177.71 1jsa n ILE 132 N -4.37 0.45 -2.45 1.77 5.41 -0.25 -4.47 119.36 115.45 1jsa n ILE 132 Ca -0.01 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.32 1jsa n ILE 132 Cb 0.20 -2.17 -0.03 0.00 -0.71 0.00 0.00 39.64 36.93 1jsa n ILE 132 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1jsa s SER 133 N 3.09 6.30 0.18 4.38 0.01 -1.26 -4.74 113.70 121.67 1jsa s SER 133 Ca 0.83 1.85 -0.14 0.00 1.31 0.00 0.00 55.95 59.80 1jsa s SER 133 Cb -0.47 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.39 1jsa s SER 133 CO 0.38 -0.81 1.69 -0.65 0.41 0.00 0.00 173.24 174.26 1jsa h PRO 134 N 1.29 0.11 -1.09 12.44 0.11 -1.94 0.65 132.00 143.57 1jsa h PRO 134 Ca -0.49 -0.01 0.31 0.00 0.11 0.00 0.00 66.00 65.93 1jsa h PRO 134 Cb 1.21 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1jsa h PRO 134 CO 0.59 0.07 0.77 0.93 -0.21 0.00 0.00 178.00 180.15 1jsa h GLU 135 N 0.11 0.09 0.00 1.05 3.07 -2.02 0.17 114.58 117.05 1jsa h GLU 135 Ca 0.24 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 1jsa h GLU 135 Cb 0.36 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1jsa h GLU 135 CO -0.40 0.06 -2.09 -0.25 -1.40 0.00 0.00 179.01 174.93 1jsa n ASP 136 N -4.30 0.18 0.23 1.42 8.00 0.22 -4.24 116.55 118.06 1jsa n ASP 136 Ca 0.24 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.89 1jsa n ASP 136 Cb 1.10 1.63 0.80 0.00 -0.02 0.00 0.00 41.12 44.64 1jsa n ASP 136 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1jsa h THR 137 N 0.00 0.00 0.00 -3.53 2.02 0.23 0.21 112.91 111.84 1jsa h THR 137 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1jsa h THR 137 Cb 1.38 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1jsa h THR 137 CO 0.01 0.00 -1.03 1.17 0.37 0.00 0.00 175.52 176.04 1jsa n LYS 138 N -2.56 0.55 0.11 6.66 4.81 -1.14 -4.16 118.16 122.43 1jsa n LYS 138 Ca -0.02 0.09 -0.24 0.00 -0.87 0.00 0.00 58.31 57.27 1jsa n LYS 138 Cb 0.09 -1.78 -0.15 0.00 0.02 0.00 0.00 35.03 33.21 1jsa n LYS 138 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jsa h HIS 139 N 0.00 0.83 -2.44 5.64 3.86 -0.81 -3.47 115.15 118.76 1jsa h HIS 139 Ca 0.00 -0.61 -0.58 0.00 -1.16 0.00 0.00 60.37 58.03 1jsa h HIS 139 Cb 0.95 -0.03 0.19 0.00 1.06 0.00 0.00 27.41 29.58 1jsa h HIS 139 CO 0.00 1.58 -1.00 1.47 0.86 0.00 0.00 177.93 180.84 1jsa n LEU 140 N -3.74 -2.39 -4.68 2.43 -0.00 -1.01 -4.68 117.00 102.93 1jsa n LEU 140 Ca -0.20 0.56 -0.52 0.00 -0.00 0.00 0.00 56.01 55.85 1jsa n LEU 140 Cb 1.05 -0.97 -0.06 0.00 -0.00 0.00 0.00 43.42 43.45 1jsa n LEU 140 CO 0.55 -4.38 1.45 -2.65 -0.00 0.00 0.00 177.39 172.37 1jsa n PRO 141 N 0.89 1.70 -0.15 1.47 -0.02 -1.26 -4.85 135.00 132.79 1jsa n PRO 141 Ca 0.07 0.62 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1jsa n PRO 141 Cb 0.50 -2.43 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1jsa n PRO 141 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jsa h GLU 142 N 8.70 0.91 -0.67 -0.52 4.11 -1.90 -2.38 114.58 122.84 1jsa h GLU 142 Ca -0.46 -0.30 0.19 0.00 0.07 0.00 0.00 59.36 58.86 1jsa h GLU 142 Cb 1.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1jsa h GLU 142 CO 0.96 0.95 0.87 0.22 0.07 0.00 0.00 179.01 182.08 1jsa h ASP 143 N 0.83 0.00 -1.85 3.06 3.58 -2.00 -0.76 116.42 119.28 1jsa h ASP 143 Ca 0.14 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 57.12 1jsa h ASP 143 Cb 0.59 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.24 1jsa h ASP 143 CO 0.04 0.00 -1.12 -0.62 -2.88 0.00 0.00 179.24 174.65 1jsa n GLU 144 N -3.33 1.33 0.00 0.28 -0.58 -0.90 -4.92 120.64 112.52 1jsa n GLU 144 Ca 0.14 -3.56 0.00 0.00 -0.42 0.00 0.00 57.16 53.32 1jsa n GLU 144 Cb 1.09 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1jsa n ASN 145 N 0.14 2.01 -3.92 1.62 2.04 -0.29 -4.27 115.26 112.59 1jsa n ASN 145 Ca 0.23 -2.00 -0.09 0.00 -0.44 0.00 0.00 54.58 52.29 1jsa n ASN 145 Cb 0.66 -0.50 -0.09 0.00 -2.53 0.00 0.00 39.78 37.32 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 -0.49 0.15 0.05 5.53 -4.23 -1.26 -5.02 115.64 110.36 1jsa s THR 146 Ca 0.00 -1.20 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1jsa s THR 146 Cb 0.00 -1.11 -0.11 0.00 1.34 0.00 0.00 72.50 72.62 1jsa s THR 146 CO 0.00 -0.66 1.35 -0.65 -0.54 0.00 0.00 174.62 174.12 1jsa h PRO 147 N 3.32 -0.67 -0.42 3.99 0.10 -1.92 2.29 132.00 138.68 1jsa h PRO 147 Ca -0.33 0.05 0.12 0.00 0.10 0.00 0.00 66.00 65.94 1jsa h PRO 147 Cb 1.18 0.15 -0.02 0.00 0.10 0.00 0.00 31.00 32.42 1jsa h PRO 147 CO 0.54 -0.45 0.50 0.93 0.10 0.00 0.00 178.00 179.63 1jsa h GLU 148 N -0.69 0.00 0.00 1.05 5.08 -1.97 1.33 114.58 119.37 1jsa h GLU 148 Ca -0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 1jsa h GLU 148 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1jsa h GLU 148 CO 0.01 0.00 -1.69 1.63 -1.00 0.00 0.00 179.01 177.96 1jsa n LYS 149 N -3.59 0.63 -0.09 2.33 5.02 -0.47 -3.81 118.16 118.18 1jsa n LYS 149 Ca 0.08 0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.46 1jsa n LYS 149 Cb 0.68 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.77 1jsa n LYS 149 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1jsa h ARG 150 N 0.00 0.02 -0.36 1.97 9.65 0.82 -3.15 114.38 123.34 1jsa h ARG 150 Ca -0.28 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 58.67 1jsa h ARG 150 Cb 1.99 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.57 1jsa h ARG 150 CO 0.08 1.02 0.57 0.00 2.80 0.00 0.00 179.97 184.44 1jsa h ALA 151 N -0.36 2.01 0.00 2.80 0.00 0.13 2.66 119.26 126.50 1jsa h ALA 151 Ca -0.29 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1jsa h ALA 151 Cb 1.30 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1jsa h ALA 151 CO -0.15 -0.76 -0.86 1.49 0.00 0.00 0.00 179.25 178.97 1jsa h GLU 152 N 0.00 0.00 0.45 0.00 4.81 -1.66 -2.06 114.58 116.12 1jsa h GLU 152 Ca 0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1jsa h GLU 152 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1jsa h GLU 152 CO -0.00 0.83 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.67 1jsa h LYS 153 N 0.00 -0.58 0.70 1.92 3.64 0.47 0.51 116.57 123.22 1jsa h LYS 153 Ca -0.01 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jsa h LYS 153 Cb 1.65 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.61 1jsa h LYS 153 CO 0.11 -0.28 -0.33 0.82 -2.27 0.00 0.00 179.45 177.49 1jsa h ILE 154 N -0.88 0.00 -0.87 2.00 2.04 -1.53 -1.85 117.51 116.42 1jsa h ILE 154 Ca -0.06 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.84 1jsa h ILE 154 Cb 0.57 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.54 1jsa h ILE 154 CO 0.10 0.00 0.40 -0.25 0.00 0.00 0.00 178.15 178.40 1jsa h TRP 155 N -1.08 0.68 -0.05 1.37 2.91 -1.47 0.89 115.95 119.19 1jsa h TRP 155 Ca -0.10 0.04 0.02 0.00 1.13 0.00 0.00 58.89 59.98 1jsa h TRP 155 Cb 0.72 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 1jsa h TRP 155 CO 0.03 0.03 0.04 0.78 -1.03 0.00 0.00 178.44 178.29 1jsa h GLY 156 N 0.47 0.00 0.96 2.65 0.00 0.18 -2.44 103.07 104.89 1jsa h GLY 156 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1jsa h GLY 156 CO -0.47 0.00 -0.23 -2.75 0.00 0.00 0.00 176.54 173.09 1jsa h PHE 157 N 0.00 -0.58 -0.09 5.60 3.04 0.17 -2.39 116.94 122.69 1jsa h PHE 157 Ca 0.03 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1jsa h PHE 157 Cb 0.11 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 1jsa h PHE 157 CO 0.00 -0.34 0.07 0.74 -2.02 0.00 0.00 178.31 176.76 1jsa h PHE 158 N -0.68 0.00 -3.65 0.41 0.04 -1.35 -3.47 116.94 108.24 1jsa h PHE 158 Ca -0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1jsa h PHE 158 Cb 0.51 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.68 1jsa h PHE 158 CO -0.03 0.00 -0.09 0.41 -0.60 0.00 0.00 178.31 178.00 1jsa n GLY 159 N -1.54 -0.21 2.64 -1.45 0.00 -0.90 -5.05 105.19 98.69 1jsa n GLY 159 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.15 0.55 0.00 1.61 -0.14 -1.26 -5.10 119.74 112.26 1jsa s LYS 160 Ca 0.05 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 1jsa s LYS 160 Cb -0.01 -1.65 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 1jsa s LYS 160 CO 0.20 -1.03 0.00 1.63 -0.76 0.00 0.00 175.35 175.39 1jsa n LYS 161 N 4.84 0.45 0.49 1.68 4.76 -1.26 -4.77 118.16 124.34 1jsa n LYS 161 Ca -0.02 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.24 1jsa n LYS 161 Cb 0.41 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.51 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 -0.34 -1.04 0.00 4.39 3.58 -2.03 -2.99 116.42 117.98 1jsa h ASP 162 Ca 0.00 0.04 -0.32 0.00 0.42 0.00 0.00 57.03 57.17 1jsa h ASP 162 Cb 0.00 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1jsa h ASP 162 CO 0.00 -0.75 1.59 -0.90 -2.88 0.00 0.00 179.24 176.30 1jsa n ASP 163 N -5.31 5.04 -3.23 2.28 5.75 -1.26 -4.49 116.55 115.34 1jsa n ASP 163 Ca -0.15 -2.30 -0.02 0.00 -0.01 0.00 0.00 54.79 52.30 1jsa n ASP 163 Cb 0.49 -1.13 -0.02 0.00 -1.03 0.00 0.00 41.12 39.42 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jsa s ASP 164 N 2.69 -0.91 -0.16 -1.12 1.01 -1.13 -5.13 116.67 111.91 1jsa s ASP 164 Ca 0.48 -0.55 -0.17 0.00 0.71 0.00 0.00 52.55 53.02 1jsa s ASP 164 Cb 0.17 1.67 -0.04 0.00 1.01 0.00 0.00 42.92 45.73 1jsa s ASP 164 CO -0.02 -0.25 0.43 -1.59 0.21 0.00 0.00 175.17 173.95 1jsa s LYS 165 N 2.18 4.26 -0.02 8.23 -2.85 -1.26 -4.55 119.74 125.73 1jsa s LYS 165 Ca 0.13 0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.11 1jsa s LYS 165 Cb -0.09 -3.48 -0.03 0.00 -2.06 0.00 0.00 37.83 32.17 1jsa s LYS 165 CO -0.15 0.08 1.11 -1.17 0.10 0.00 0.00 175.35 175.32 1jsa s LEU 166 N 0.90 4.32 0.35 2.77 2.96 -1.06 -4.81 118.68 124.12 1jsa s LEU 166 Ca 0.22 1.78 0.01 0.00 -0.22 0.00 0.00 54.13 55.92 1jsa s LEU 166 Cb -0.15 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1jsa s LEU 166 CO 0.08 -0.45 0.54 0.42 -1.32 0.00 0.00 176.35 175.63 1jsa s THR 167 N 1.58 4.94 -1.14 3.68 -4.23 -1.26 -1.33 115.64 117.88 1jsa s THR 167 Ca 0.54 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1jsa s THR 167 Cb -0.24 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 69.88 1jsa s THR 167 CO 0.25 -0.49 1.17 -0.62 -0.54 0.00 0.00 174.62 174.38 1jsa n GLU 168 N -1.78 0.03 -0.04 3.99 1.02 -1.25 -2.12 120.64 120.49 1jsa n GLU 168 Ca -0.04 0.33 -0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1jsa n GLU 168 Cb 0.56 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.37 1jsa n GLU 168 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jsa h LYS 169 N 0.00 0.04 0.10 3.49 1.79 -1.92 -3.36 116.57 116.71 1jsa h LYS 169 Ca 0.00 -0.04 -0.29 0.00 -2.18 0.00 0.00 60.65 58.14 1jsa h LYS 169 Cb 0.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1jsa h LYS 169 CO 0.00 0.81 -1.43 0.93 -1.08 0.00 0.00 179.45 178.68 1jsa h GLU 170 N -0.71 0.22 0.00 3.15 5.08 -1.91 -3.26 114.58 117.15 1jsa h GLU 170 Ca -0.01 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jsa h GLU 170 Cb 0.83 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1jsa h GLU 170 CO 0.01 1.09 0.56 0.35 -1.00 0.00 0.00 179.01 180.02 1jsa h PHE 171 N 0.06 0.00 0.04 4.33 3.57 -1.58 1.74 116.94 125.10 1jsa h PHE 171 Ca -0.20 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.11 1jsa h PHE 171 Cb 1.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 1jsa h PHE 171 CO 0.05 0.00 -0.98 0.82 -2.23 0.00 0.00 178.31 175.97 1jsa h ILE 172 N 0.00 1.19 0.06 1.41 1.08 -1.70 -3.36 117.51 116.19 1jsa h ILE 172 Ca 0.00 -2.31 -0.30 0.00 -0.39 0.00 0.00 64.86 61.86 1jsa h ILE 172 Cb 1.12 2.72 -0.03 0.00 -3.07 0.00 0.00 36.82 37.56 1jsa h ILE 172 CO 0.00 0.54 -1.66 -0.62 -0.69 0.00 0.00 178.15 175.72 1jsa n GLU 173 N -4.29 0.66 0.23 2.37 1.02 0.28 -2.12 120.64 118.80 1jsa n GLU 173 Ca -0.24 0.41 0.05 0.00 -0.02 0.00 0.00 57.16 57.37 1jsa n GLU 173 Cb 0.71 -1.72 0.29 0.00 -0.02 0.00 0.00 31.44 30.70 1jsa n GLU 173 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1jsa h GLY 174 N 0.05 0.00 0.00 0.62 0.00 0.19 0.38 103.07 104.31 1jsa h GLY 174 Ca -0.40 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.76 1jsa h GLY 174 CO -0.07 0.00 -1.66 2.41 0.00 0.00 0.00 176.54 177.22 1jsa n THR 175 N -2.23 0.66 0.02 4.70 -1.04 -1.25 -4.55 114.28 110.59 1jsa n THR 175 Ca -0.01 -0.39 0.07 0.00 -2.04 0.00 0.00 64.05 61.68 1jsa n THR 175 Cb 0.58 -0.76 0.49 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.36 0.00 -4.42 5.85 0.30 -3.36 115.31 114.04 1jsa h LEU 176 Ca -0.26 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1jsa h LEU 176 Cb 1.58 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1jsa h LEU 176 CO 0.01 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.36 1jsa n ALA 177 N -2.50 0.00 -1.41 1.25 0.00 -0.92 -4.65 120.51 112.27 1jsa n ALA 177 Ca 0.04 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.90 1jsa n ALA 177 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 1jsa n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jsa n ASN 178 N 0.00 1.33 0.02 0.00 5.03 -1.26 -4.74 115.26 115.65 1jsa n ASN 178 Ca 0.00 0.72 0.09 0.00 0.87 0.00 0.00 54.58 56.27 1jsa n ASN 178 Cb 0.00 -1.01 0.40 0.00 -1.02 0.00 0.00 39.78 38.15 1jsa n ASN 178 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1jsa n LYS 179 N 6.98 0.04 0.26 3.52 2.85 -1.26 -2.50 118.16 128.05 1jsa n LYS 179 Ca 0.45 0.22 0.16 0.00 -1.05 0.00 0.00 58.31 58.09 1jsa n LYS 179 Cb 0.04 -1.57 0.54 0.00 -0.65 0.00 0.00 35.03 33.39 1jsa n LYS 179 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1jsa h GLU 180 N 0.00 0.00 0.00 -1.58 4.39 -1.91 -2.71 114.58 112.77 1jsa h GLU 180 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jsa h GLU 180 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1jsa h GLU 180 CO 0.00 0.01 0.00 -0.89 -1.16 0.00 0.00 179.01 176.97 1jsa n ILE 181 N -3.10 0.42 0.02 3.13 5.41 -1.04 -3.89 119.36 120.30 1jsa n ILE 181 Ca 0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 62.75 63.64 1jsa n ILE 181 Cb 0.37 -0.62 -0.01 0.00 -0.71 0.00 0.00 39.64 38.68 1jsa n ILE 181 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jsa h LEU 182 N 0.00 -0.06 0.00 1.39 4.07 -1.66 -2.70 115.31 116.35 1jsa h LEU 182 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jsa h LEU 182 Cb 0.60 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1jsa h LEU 182 CO 0.00 0.09 0.00 0.54 -1.08 0.00 0.00 178.44 177.99 1jsa n ARG 183 N -2.92 0.00 -0.01 1.13 1.74 -1.25 -1.08 116.66 114.26 1jsa n ARG 183 Ca -0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 1jsa n ARG 183 Cb 0.03 -1.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 1jsa n ARG 183 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jsa n LEU 184 N -0.53 1.44 -0.96 0.55 4.77 -1.22 -4.74 117.00 116.31 1jsa n LEU 184 Ca 0.00 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.30 1jsa n LEU 184 Cb 0.00 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 40.84 1jsa n LEU 184 CO 0.00 -0.53 0.72 2.30 -1.33 0.00 0.00 177.39 178.55 1jsa n ILE 185 N -3.89 0.57 1.49 -0.08 -6.64 -1.02 -4.16 119.36 105.64 1jsa n ILE 185 Ca -0.06 -0.66 0.06 0.00 -1.77 0.00 0.00 62.75 60.32 1jsa n ILE 185 Cb 0.23 0.53 0.36 0.00 -1.44 0.00 0.00 39.64 39.32 1jsa n ILE 185 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 1jsa n GLN 186 N 1.05 0.75 0.00 6.28 0.00 -0.24 -4.95 117.38 120.27 1jsa n GLN 186 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1jsa n GLN 186 Cb 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.46 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1jsa n PHE 187 N -0.75 0.00 -1.82 3.69 1.16 -1.26 -5.08 117.46 113.40 1jsa n PHE 187 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 1jsa n PHE 187 Cb 0.04 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 1jsa n PHE 187 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04