#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa h ASN 2 N 0.00 -0.69 0.00 1.61 -0.00 -2.14 -3.43 115.58 110.93 1jsa h ASN 2 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1jsa h ASN 2 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1jsa h ASN 2 CO 0.00 -0.23 0.00 -1.54 -0.00 0.00 0.00 177.43 175.66 1jsa n SER 3 N -5.45 0.00 -0.50 1.15 3.41 -1.26 -4.78 113.62 106.19 1jsa n SER 3 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1jsa n SER 3 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1jsa n SER 3 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1jsa n LYS 4 N 14.00 0.00 -1.80 4.33 2.85 -1.26 -5.17 118.16 131.11 1jsa n LYS 4 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1jsa n LYS 4 Cb 0.00 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.50 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1jsa n SER 5 N -1.09 0.57 -0.26 -5.58 7.64 -1.26 -4.86 113.62 108.79 1jsa n SER 5 Ca 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1jsa n SER 5 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N -1.29 0.05 2.27 0.23 0.00 -1.26 -4.63 105.19 100.57 1jsa n GLY 6 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N -0.02 -0.15 -3.55 4.61 0.00 -1.26 -4.96 120.51 115.17 1jsa n ALA 7 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 1jsa n ALA 7 Cb 0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 1jsa n ALA 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jsa s LEU 8 N -2.21 -0.39 0.00 0.00 0.05 -1.26 -5.01 118.68 109.86 1jsa s LEU 8 Ca 0.00 0.31 0.00 0.00 0.05 0.00 0.00 54.13 54.49 1jsa s LEU 8 Cb 0.00 1.95 0.00 0.00 -2.05 0.00 0.00 46.19 46.09 1jsa s LEU 8 CO 0.00 -0.44 0.00 -0.24 -0.55 0.00 0.00 176.35 175.12 1jsa n SER 9 N 0.46 0.00 0.18 1.48 2.88 -1.26 -4.80 113.62 112.55 1jsa n SER 9 Ca -0.10 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.57 1jsa n SER 9 Cb 0.59 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.50 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jsa h LYS 10 N 0.00 0.00 0.21 -1.46 1.57 -1.98 -0.18 116.57 114.73 1jsa h LYS 10 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 1jsa h LYS 10 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jsa h LYS 10 CO 0.00 0.00 -1.41 0.93 -0.57 0.00 0.00 179.45 178.40 1jsa h GLU 11 N 0.00 0.44 0.00 3.15 4.39 -1.95 -3.11 114.58 117.50 1jsa h GLU 11 Ca 0.00 -0.76 -0.02 0.00 0.34 0.00 0.00 59.36 58.92 1jsa h GLU 11 Cb 0.63 0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1jsa h GLU 11 CO 0.00 1.36 -0.15 0.82 -1.16 0.00 0.00 179.01 179.89 1jsa h ILE 12 N 0.12 0.72 -1.16 3.13 2.04 -1.89 -3.30 117.51 117.17 1jsa h ILE 12 Ca -0.22 -1.58 0.33 0.00 1.00 0.00 0.00 64.86 64.39 1jsa h ILE 12 Cb 2.10 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 39.49 1jsa h ILE 12 CO 0.25 0.25 0.77 -0.07 0.00 0.00 0.00 178.15 179.34 1jsa h LEU 13 N -1.00 0.30 -1.08 1.44 3.38 -1.20 2.20 115.31 119.34 1jsa h LEU 13 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jsa h LEU 13 Cb 0.51 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1jsa h LEU 13 CO -0.02 -0.00 0.41 -0.08 0.09 0.00 0.00 178.44 178.84 1jsa h GLU 14 N 0.23 0.00 -0.01 1.13 4.81 -1.62 2.78 114.58 121.91 1jsa h GLU 14 Ca 0.66 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1jsa h GLU 14 Cb 1.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.36 1jsa h GLU 14 CO -0.27 0.00 -0.25 0.39 -0.73 0.00 0.00 179.01 178.16 1jsa n GLU 15 N -2.33 0.79 -0.26 1.92 -0.58 0.74 -4.45 120.64 116.47 1jsa n GLU 15 Ca -0.01 -0.45 0.20 0.00 -0.42 0.00 0.00 57.16 56.48 1jsa n GLU 15 Cb 0.43 -1.49 0.31 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.72 0.02 -0.48 -4.62 -0.00 0.93 -0.80 117.00 111.33 1jsa n LEU 16 Ca 0.12 0.43 0.39 0.00 -0.00 0.00 0.00 56.01 56.95 1jsa n LEU 16 Cb 0.34 -0.22 0.60 0.00 -0.00 0.00 0.00 43.42 44.14 1jsa n LEU 16 CO 0.26 -0.45 1.20 0.00 -0.00 0.00 0.00 177.39 178.41 1jsa n GLN 17 N -2.93 0.00 0.00 1.47 1.13 -1.26 -4.17 117.38 111.62 1jsa n GLN 17 Ca 0.17 0.90 0.00 0.00 -1.94 0.00 0.00 57.00 56.14 1jsa n GLN 17 Cb 0.76 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1jsa n GLN 17 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1jsa n LEU 18 N -3.42 0.00 -4.76 1.08 -0.00 0.02 -5.00 117.00 104.92 1jsa n LEU 18 Ca 0.32 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.95 1jsa n LEU 18 Cb 1.59 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 45.03 1jsa n LEU 18 CO 0.32 0.00 0.94 0.21 -0.00 0.00 0.00 177.39 178.87 1jsa s ASN 19 N -1.00 5.76 -1.16 1.45 3.84 -1.26 -4.88 114.94 117.69 1jsa s ASN 19 Ca 0.00 2.63 -0.21 0.00 0.21 0.00 0.00 52.86 55.49 1jsa s ASN 19 Cb 0.00 -2.63 0.05 0.00 -0.55 0.00 0.00 41.25 38.12 1jsa s ASN 19 CO 0.00 -1.22 1.64 0.28 -2.79 0.00 0.00 177.10 175.01 1jsa s THR 20 N -1.36 3.98 1.00 -5.21 -1.32 -1.26 -4.89 115.64 106.58 1jsa s THR 20 Ca 0.66 -1.33 -0.16 0.00 -1.21 0.00 0.00 61.69 59.65 1jsa s THR 20 Cb -0.37 -5.06 -0.04 0.00 -1.51 0.00 0.00 72.50 65.53 1jsa s THR 20 CO 0.45 -1.89 -0.24 0.29 -2.21 0.00 0.00 174.62 171.02 1jsa n LYS 21 N 8.61 -0.36 -0.42 7.08 4.76 -1.26 -4.90 118.16 131.67 1jsa n LYS 21 Ca 0.42 -0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.54 1jsa n LYS 21 Cb 0.48 -1.47 0.21 0.00 -1.84 0.00 0.00 35.03 32.41 1jsa n LYS 21 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1jsa n PHE 22 N -3.36 -2.77 -1.37 2.13 3.72 -1.26 -4.46 117.46 110.10 1jsa n PHE 22 Ca 0.02 -0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 56.70 1jsa n PHE 22 Cb 0.58 -1.39 -0.14 0.00 -0.94 0.00 0.00 39.48 37.59 1jsa n PHE 22 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1jsa n THR 23 N -4.94 0.00 -0.59 4.37 -1.04 -1.26 -4.63 114.28 106.19 1jsa n THR 23 Ca 0.08 0.00 0.48 0.00 -2.04 0.00 0.00 64.05 62.57 1jsa n THR 23 Cb 0.45 -0.47 0.80 0.00 -1.82 0.00 0.00 70.33 69.29 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1jsa h GLU 24 N 10.75 0.00 0.00 -2.82 4.11 -1.97 2.20 114.58 126.85 1jsa h GLU 24 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1jsa h GLU 24 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1jsa h GLU 24 CO 1.25 0.00 0.23 0.39 0.07 0.00 0.00 179.01 180.96 1jsa n GLU 25 N -3.97 0.09 -0.00 1.06 -0.58 -1.26 0.41 120.64 116.37 1jsa n GLU 25 Ca 0.39 0.55 -0.22 0.00 -0.42 0.00 0.00 57.16 57.46 1jsa n GLU 25 Cb 1.80 -2.01 -0.14 0.00 -0.57 0.00 0.00 31.44 30.52 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1jsa h GLU 26 N 0.00 0.24 0.00 3.49 4.57 0.34 -3.32 114.58 119.89 1jsa h GLU 26 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1jsa h GLU 26 Cb 0.46 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1jsa h GLU 26 CO 0.00 1.20 0.46 -0.07 -1.18 0.00 0.00 179.01 179.42 1jsa h LEU 27 N -0.10 0.00 0.00 1.64 4.07 -0.12 -1.01 115.31 119.79 1jsa h LEU 27 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1jsa h LEU 27 Cb 1.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.66 1jsa h LEU 27 CO 0.05 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.21 1jsa n SER 28 N -2.72 0.00 -0.23 -0.43 7.64 -1.15 -3.69 113.62 113.05 1jsa n SER 28 Ca -0.01 0.56 0.26 0.00 1.01 0.00 0.00 58.87 60.69 1jsa n SER 28 Cb 0.50 -0.49 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 1jsa n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1jsa h SER 29 N 0.00 0.18 -1.00 6.43 0.02 -1.59 0.19 113.55 117.77 1jsa h SER 29 Ca 0.00 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.15 1jsa h SER 29 Cb 0.00 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 1jsa h SER 29 CO 0.00 0.06 0.62 -0.25 -1.14 0.00 0.00 176.83 176.11 1jsa h TRP 30 N 0.17 1.05 -0.21 3.45 7.01 -1.31 0.44 115.95 126.55 1jsa h TRP 30 Ca 0.48 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.57 1jsa h TRP 30 Cb 1.59 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 28.32 1jsa h TRP 30 CO -0.00 0.27 0.18 -0.92 -2.79 0.00 0.00 178.44 175.19 1jsa h TYR 31 N 0.79 0.00 0.12 2.65 3.20 -0.69 -2.34 116.97 120.70 1jsa h TYR 31 Ca 0.55 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.42 1jsa h TYR 31 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1jsa h TYR 31 CO -0.00 0.00 -0.06 1.96 -1.64 0.00 0.00 178.16 178.42 1jsa h GLN 32 N 0.00 -0.16 0.00 1.82 4.20 -0.23 -2.96 115.11 117.79 1jsa h GLN 32 Ca 0.10 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1jsa h GLN 32 Cb 0.46 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1jsa h GLN 32 CO -0.00 -0.11 0.65 0.77 -0.67 0.00 0.00 178.83 179.48 1jsa h SER 33 N -1.01 0.00 0.46 1.46 0.02 -1.25 1.60 113.55 114.82 1jsa h SER 33 Ca -0.02 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1jsa h SER 33 Cb 0.13 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1jsa h SER 33 CO 0.03 0.00 -1.39 0.15 -1.14 0.00 0.00 176.83 174.48 1jsa h PHE 34 N 0.00 0.68 -0.43 3.45 3.57 -1.41 -2.73 116.94 120.07 1jsa h PHE 34 Ca 0.00 -0.50 0.10 0.00 3.53 0.00 0.00 57.97 61.10 1jsa h PHE 34 Cb 1.31 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1jsa h PHE 34 CO 0.00 1.41 0.30 -0.07 -2.23 0.00 0.00 178.31 177.73 1jsa h LEU 35 N 0.10 0.13 0.23 0.59 3.38 0.25 0.30 115.31 120.28 1jsa h LEU 35 Ca -0.20 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.44 1jsa h LEU 35 Cb 2.06 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 42.81 1jsa h LEU 35 CO 0.22 0.08 -1.46 0.11 0.09 0.00 0.00 178.44 177.48 1jsa h LYS 36 N 0.14 0.48 -0.59 1.13 1.79 -1.53 -1.60 116.57 116.39 1jsa h LYS 36 Ca 0.20 -0.82 -0.09 0.00 -2.18 0.00 0.00 60.65 57.77 1jsa h LYS 36 Cb 0.62 0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1jsa h LYS 36 CO -0.03 1.39 0.02 1.49 -1.08 0.00 0.00 179.45 181.24 1jsa h GLU 37 N 0.13 1.01 -1.62 3.15 4.81 -0.81 -3.38 114.58 117.87 1jsa h GLU 37 Ca -0.24 -0.30 -0.36 0.00 -0.13 0.00 0.00 59.36 58.32 1jsa h GLU 37 Cb 2.13 -0.10 -0.27 0.00 0.63 0.00 0.00 28.75 31.14 1jsa h GLU 37 CO 0.25 0.98 -0.73 0.00 -0.73 0.00 0.00 179.01 178.79 1jsa s PRO 39 N 0.45 1.97 0.00 0.00 0.02 -0.60 -4.42 135.00 132.42 1jsa s PRO 39 Ca 0.32 0.81 0.00 0.00 0.02 0.00 0.00 61.00 62.15 1jsa s PRO 39 Cb 0.03 -4.69 0.00 0.00 0.02 0.00 0.00 34.50 29.86 1jsa s PRO 39 CO -0.12 -3.73 0.00 0.43 -0.33 0.00 0.00 177.00 173.25 1jsa n SER 40 N 16.62 0.00 0.00 2.53 7.64 -1.26 -5.07 113.62 134.08 1jsa n SER 40 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1jsa n SER 40 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 41 N 0.00 0.38 2.89 0.23 0.00 -1.26 -5.10 105.19 102.32 1jsa n GLY 41 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N 0.00 0.33 -0.17 1.61 0.52 -1.26 -4.81 118.95 115.17 1jsa s ARG 42 Ca 0.00 0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 55.34 1jsa s ARG 42 Cb 0.00 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 1jsa s ARG 42 CO 0.00 -0.70 1.30 0.42 0.02 0.00 0.00 175.30 176.35 1jsa s ILE 43 N 2.51 4.20 0.69 1.52 1.01 -1.14 -4.87 121.20 125.13 1jsa s ILE 43 Ca 0.12 1.45 -0.09 0.00 0.00 0.00 0.00 60.65 62.12 1jsa s ILE 43 Cb -0.15 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.38 1jsa s ILE 43 CO -0.17 -0.16 1.04 -0.89 0.00 0.00 0.00 174.94 174.76 1jsa s THR 44 N 3.65 3.14 0.28 2.92 2.01 -1.26 -1.84 115.64 124.54 1jsa s THR 44 Ca 0.57 0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.83 1jsa s THR 44 Cb -0.22 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1jsa s THR 44 CO 0.17 -0.40 1.63 -0.09 -0.69 0.00 0.00 174.62 175.24 1jsa h ARG 45 N -0.57 0.05 -0.26 4.92 2.43 -1.95 -2.29 114.38 116.71 1jsa h ARG 45 Ca -0.45 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.59 1jsa h ARG 45 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1jsa h ARG 45 CO 0.63 0.61 -0.26 1.96 -1.51 0.00 0.00 179.97 181.40 1jsa h GLN 46 N 0.04 0.50 0.00 0.20 7.50 -1.97 -2.76 115.11 118.62 1jsa h GLN 46 Ca -0.01 -0.19 -0.07 0.00 0.50 0.00 0.00 58.65 58.88 1jsa h GLN 46 Cb 1.03 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.52 1jsa h GLN 46 CO 0.08 0.72 -0.43 1.49 -1.50 0.00 0.00 178.83 179.19 1jsa h GLU 47 N 0.44 0.00 -0.61 1.46 4.81 -1.91 -3.33 114.58 115.44 1jsa h GLU 47 Ca 0.06 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1jsa h GLU 47 Cb 0.69 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.95 1jsa h GLU 47 CO 0.05 0.29 -0.33 0.35 -0.73 0.00 0.00 179.01 178.65 1jsa h PHE 48 N 0.00 -0.90 -0.59 0.92 3.57 -1.10 0.87 116.94 119.70 1jsa h PHE 48 Ca -0.01 0.07 0.17 0.00 3.53 0.00 0.00 57.97 61.73 1jsa h PHE 48 Cb 1.25 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 1jsa h PHE 48 CO 0.00 -0.38 0.60 1.96 -2.23 0.00 0.00 178.31 178.26 1jsa h GLN 49 N -0.15 0.00 0.00 1.11 1.08 -1.69 0.63 115.11 116.09 1jsa h GLN 49 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1jsa h GLN 49 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1jsa h GLN 49 CO -0.69 0.00 0.00 1.15 -0.95 0.00 0.00 178.83 178.34 1jsa h THR 50 N 0.00 0.00 0.00 -0.54 2.02 0.57 -3.09 112.91 111.87 1jsa h THR 50 Ca 0.28 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1jsa h THR 50 Cb 1.47 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1jsa h THR 50 CO -0.00 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.51 1jsa n ILE 51 N -2.54 0.00 0.07 3.11 5.41 0.22 -4.19 119.36 121.43 1jsa n ILE 51 Ca 0.03 0.48 0.17 0.00 1.00 0.00 0.00 62.75 64.44 1jsa n ILE 51 Cb 0.34 -1.47 0.43 0.00 -0.71 0.00 0.00 39.64 38.23 1jsa n ILE 51 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1jsa h TYR 52 N 0.00 0.00 0.00 1.39 -1.99 -1.69 1.49 116.97 116.17 1jsa h TYR 52 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jsa h TYR 52 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1jsa h TYR 52 CO 0.00 0.00 -0.01 1.03 -0.00 0.00 0.00 178.16 179.18 1jsa h SER 53 N 0.00 0.00 0.51 3.88 0.87 -1.70 -1.83 113.55 115.28 1jsa h SER 53 Ca 0.23 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.50 1jsa h SER 53 Cb 2.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.95 1jsa h SER 53 CO -0.00 0.01 -1.54 0.50 -0.53 0.00 0.00 176.83 175.28 1jsa h LYS 54 N 0.00 0.15 0.00 2.24 1.63 0.19 -2.62 116.57 118.17 1jsa h LYS 54 Ca -0.00 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1jsa h LYS 54 Cb 0.40 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1jsa h LYS 54 CO 0.00 0.96 -0.22 1.19 -3.45 0.00 0.00 179.45 177.93 1jsa n PHE 55 N -3.34 0.75 -2.90 1.91 3.01 -1.05 -4.36 117.46 111.48 1jsa n PHE 55 Ca -0.15 0.22 -0.12 0.00 1.01 0.00 0.00 57.45 58.40 1jsa n PHE 55 Cb 1.03 -0.82 0.05 0.00 -0.01 0.00 0.00 39.48 39.73 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jsa n PHE 56 N -2.16 -1.72 0.30 1.38 3.72 -0.72 -4.93 117.46 113.34 1jsa n PHE 56 Ca 0.05 -2.76 0.06 0.00 -0.05 0.00 0.00 57.45 54.76 1jsa n PHE 56 Cb 0.43 0.86 0.29 0.00 -0.94 0.00 0.00 39.48 40.12 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 0.32 0.05 0.00 -1.08 -0.04 -0.99 -3.60 135.00 129.67 1jsa n PRO 57 Ca 0.13 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1jsa n PRO 57 Cb 0.69 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1jsa n PRO 57 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jsa n GLU 58 N -1.73 0.00 0.00 0.54 4.71 -1.26 -4.86 120.64 118.04 1jsa n GLU 58 Ca 0.02 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1jsa n GLU 58 Cb 0.12 -1.20 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jsa n ALA 59 N -1.57 0.00 -3.18 0.62 0.00 -1.24 -4.99 120.51 110.16 1jsa n ALA 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1jsa n ALA 59 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.42 -0.59 0.00 9.92 -0.89 -4.94 116.55 120.47 1jsa n ASP 60 Ca 0.00 -2.85 0.00 0.00 -0.53 0.00 0.00 54.79 51.41 1jsa n ASP 60 Cb 0.00 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1jsa n ASP 60 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1jsa n PRO 61 N 0.90 0.07 0.20 -0.24 -0.02 -1.26 -3.37 135.00 131.27 1jsa n PRO 61 Ca 0.23 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 1jsa n PRO 61 Cb 0.59 -1.11 0.41 0.00 -0.02 0.00 0.00 33.50 33.37 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jsa h LYS 62 N 1.10 0.00 0.15 -0.52 6.56 -1.92 0.37 116.57 122.31 1jsa h LYS 62 Ca 0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 1jsa h LYS 62 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1jsa h LYS 62 CO 0.00 0.33 -1.62 0.00 -2.06 0.00 0.00 179.45 176.10 1jsa h ALA 63 N 1.67 0.21 0.00 3.86 0.00 -1.89 -3.30 119.26 119.80 1jsa h ALA 63 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1jsa h ALA 63 Cb 0.74 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jsa h ALA 63 CO 0.04 1.08 -0.41 -0.92 0.00 0.00 0.00 179.25 179.05 1jsa h TYR 64 N 0.09 0.00 0.00 0.00 3.20 -1.79 -3.18 116.97 115.29 1jsa h TYR 64 Ca -0.28 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.44 1jsa h TYR 64 Cb 2.06 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.31 1jsa h TYR 64 CO 0.08 0.00 -0.69 0.00 -1.64 0.00 0.00 178.16 175.91 1jsa h ALA 65 N 2.48 0.73 0.00 1.82 0.00 -0.36 -3.12 119.26 120.81 1jsa h ALA 65 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1jsa h ALA 65 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jsa h ALA 65 CO 0.00 0.86 -1.08 1.96 0.00 0.00 0.00 179.25 180.99 1jsa h GLN 66 N 0.00 0.00 0.00 0.00 4.20 -1.64 -3.32 115.11 114.35 1jsa h GLN 66 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1jsa h GLN 66 Cb 1.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1jsa h GLN 66 CO 0.09 0.08 -0.34 0.45 -0.67 0.00 0.00 178.83 178.44 1jsa h HIS 67 N 0.00 0.00 0.00 2.96 3.86 -1.52 -2.58 115.15 117.87 1jsa h HIS 67 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jsa h HIS 67 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1jsa h HIS 67 CO 0.00 0.34 0.00 0.28 0.86 0.00 0.00 177.93 179.41 1jsa n VAL 68 N -3.53 0.80 0.00 2.45 0.31 -1.18 -3.58 118.33 113.59 1jsa n VAL 68 Ca -0.00 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1jsa n VAL 68 Cb 0.48 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 -2.28 0.00 -0.42 3.52 7.35 -0.97 -3.00 117.46 121.66 1jsa n PHE 69 Ca 0.02 0.00 0.40 0.00 -0.76 0.00 0.00 57.45 57.11 1jsa n PHE 69 Cb 0.25 -0.21 0.73 0.00 0.35 0.00 0.00 39.48 40.60 1jsa n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jsa h ARG 70 N 0.00 0.00 -0.69 -4.13 2.47 -1.74 0.83 114.38 111.11 1jsa h ARG 70 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1jsa h ARG 70 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1jsa h ARG 70 CO 0.00 0.00 0.46 0.77 0.56 0.00 0.00 179.97 181.76 1jsa h SER 71 N 0.00 0.69 -0.61 7.04 0.02 -1.59 -3.34 113.55 115.75 1jsa h SER 71 Ca 0.67 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.30 1jsa h SER 71 Cb 2.86 -0.15 -0.25 0.00 0.14 0.00 0.00 62.40 65.00 1jsa h SER 71 CO -0.01 0.46 -0.71 0.33 -1.14 0.00 0.00 176.83 175.76 1jsa n PHE 72 N -4.47 -1.41 -1.92 3.45 7.35 0.28 -4.56 117.46 116.18 1jsa n PHE 72 Ca 0.09 -2.56 -0.04 0.00 -0.76 0.00 0.00 57.45 54.19 1jsa n PHE 72 Cb 0.16 0.83 -0.04 0.00 0.35 0.00 0.00 39.48 40.79 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 0.01 -0.52 -1.23 -2.13 2.03 -0.52 -4.91 116.55 109.28 1jsa n ASP 73 Ca 0.08 -1.40 0.11 0.00 0.52 0.00 0.00 54.79 54.10 1jsa n ASP 73 Cb 0.75 0.15 0.29 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.00 2.34 -0.87 -1.67 0.00 -1.26 -4.27 120.51 114.79 1jsa n ALA 74 Ca -0.14 -1.27 -0.09 0.00 0.00 0.00 0.00 53.44 51.93 1jsa n ALA 74 Cb 0.56 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 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 1.46 4.98 -3.75 0.00 6.94 -1.26 -4.70 115.26 118.93 1jsa n ASN 75 Ca 0.22 -2.41 -0.31 0.00 -0.02 0.00 0.00 54.58 52.06 1jsa n ASN 75 Cb 0.59 -1.30 0.02 0.00 -2.36 0.00 0.00 39.78 36.74 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 76 N 2.35 -5.18 0.00 0.53 7.64 -1.26 -4.87 113.62 112.83 1jsa n SER 76 Ca 0.34 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1jsa n SER 76 Cb 0.80 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.26 1jsa n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jsa n ASP 77 N -2.44 1.22 0.00 6.43 9.92 -1.26 -5.00 116.55 125.42 1jsa n ASP 77 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1jsa n ASP 77 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jsa n GLY 78 N 2.13 2.36 3.18 0.44 0.00 -1.26 -4.92 105.19 107.12 1jsa n GLY 78 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.49 0.16 -0.24 2.61 -4.23 -1.26 -4.52 115.64 105.66 1jsa s THR 79 Ca 0.00 -1.33 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1jsa s THR 79 Cb 0.00 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1jsa s THR 79 CO 0.00 -0.73 0.14 -0.76 -0.54 0.00 0.00 174.62 172.74 1jsa s LEU 80 N -2.88 4.01 0.37 4.79 1.43 -0.77 -4.93 118.68 120.71 1jsa s LEU 80 Ca 0.06 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1jsa s LEU 80 Cb 0.06 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1jsa s LEU 80 CO -0.11 0.06 0.67 -0.62 0.23 0.00 0.00 176.35 176.59 1jsa s ASP 81 N 1.08 6.43 0.28 2.29 -1.08 -1.26 -2.86 116.67 121.55 1jsa s ASP 81 Ca 0.07 0.89 -0.02 0.00 -0.52 0.00 0.00 52.55 52.97 1jsa s ASP 81 Cb -0.14 -2.22 0.60 0.00 -1.46 0.00 0.00 42.92 39.70 1jsa s ASP 81 CO 0.04 -0.34 1.62 0.15 0.52 0.00 0.00 175.17 177.16 1jsa h PHE 82 N 1.21 0.04 -0.79 -5.34 3.04 -1.98 0.92 116.94 114.04 1jsa h PHE 82 Ca -0.47 0.06 0.15 0.00 3.98 0.00 0.00 57.97 61.69 1jsa h PHE 82 Cb 1.19 0.12 -0.10 0.00 2.56 0.00 0.00 35.95 39.72 1jsa h PHE 82 CO 0.58 -0.29 0.33 -0.22 -2.02 0.00 0.00 178.31 176.69 1jsa h LYS 83 N 0.10 0.45 0.01 1.11 3.64 -1.97 0.82 116.57 120.73 1jsa h LYS 83 Ca 0.51 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.64 1jsa h LYS 83 Cb 0.98 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1jsa h LYS 83 CO -0.75 0.30 -0.93 0.93 -2.27 0.00 0.00 179.45 176.73 1jsa h GLU 84 N 0.46 0.31 -0.73 1.90 5.08 0.18 -3.24 114.58 118.55 1jsa h GLU 84 Ca 0.44 -0.35 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1jsa h GLU 84 Cb 0.69 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.94 1jsa h GLU 84 CO -0.42 1.05 0.21 -0.92 -1.00 0.00 0.00 179.01 177.93 1jsa h TYR 85 N 0.17 0.34 0.49 4.33 3.20 0.25 -1.27 116.97 124.48 1jsa h TYR 85 Ca -0.07 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1jsa h TYR 85 Cb 1.57 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.78 1jsa h TYR 85 CO 0.05 -0.04 -0.48 0.28 -1.64 0.00 0.00 178.16 176.33 1jsa h VAL 86 N 0.32 0.06 -1.00 1.81 2.07 -1.37 0.18 116.25 118.31 1jsa h VAL 86 Ca 0.41 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.24 1jsa h VAL 86 Cb 0.68 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 1jsa h VAL 86 CO -0.47 0.00 0.57 0.40 0.02 0.00 0.00 177.57 178.09 1jsa h ILE 87 N -0.97 0.34 0.48 4.57 1.08 -1.37 0.97 117.51 122.60 1jsa h ILE 87 Ca -0.06 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1jsa h ILE 87 Cb 0.84 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1jsa h ILE 87 CO -0.06 0.07 -0.23 0.00 -0.69 0.00 0.00 178.15 177.24 1jsa h ALA 88 N 1.83 -0.75 0.00 1.87 0.00 -0.22 -1.51 119.26 120.49 1jsa h ALA 88 Ca 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1jsa h ALA 88 Cb 1.61 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1jsa h ALA 88 CO -0.59 -0.70 0.07 1.28 0.00 0.00 0.00 179.25 179.31 1jsa n LEU 89 N -4.70 0.37 -0.00 0.00 7.99 0.51 -2.38 117.00 118.79 1jsa n LEU 89 Ca -0.08 0.64 -0.00 0.00 -0.01 0.00 0.00 56.01 56.56 1jsa n LEU 89 Cb 0.25 -0.67 -0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1jsa n LEU 89 CO 0.19 -0.77 -0.00 -0.74 -1.51 0.00 0.00 177.39 174.56 1jsa h HIS 90 N 0.00 0.00 -1.36 -1.77 -0.00 0.12 -3.18 115.15 108.96 1jsa h HIS 90 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 60.37 60.76 1jsa h HIS 90 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 1jsa h HIS 90 CO 0.00 0.00 1.04 0.52 -0.00 0.00 0.00 177.93 179.49 1jsa h MET 91 N -0.03 0.00 -0.59 5.26 2.86 -1.12 2.28 114.93 123.59 1jsa h MET 91 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jsa h MET 91 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1jsa h MET 91 CO 0.00 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.38 1jsa n THR 92 N -3.97 1.08 -2.66 2.22 -1.04 -1.00 -4.33 114.28 104.58 1jsa n THR 92 Ca 0.30 -0.69 -0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1jsa n THR 92 Cb 1.47 -0.04 0.02 0.00 -1.82 0.00 0.00 70.33 69.96 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 0.56 -1.25 -3.19 8.00 2.88 0.76 -5.03 113.62 116.35 1jsa n SER 93 Ca 0.15 -1.81 0.05 0.00 -1.33 0.00 0.00 58.87 55.93 1jsa n SER 93 Cb 0.58 0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 64.94 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 0.07 -3.40 -0.43 -1.46 0.00 -0.54 -4.85 121.76 111.15 1jsa s ALA 94 Ca 0.08 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.66 1jsa s ALA 94 Cb 0.15 -2.42 0.22 0.00 0.00 0.00 0.00 23.12 21.07 1jsa s ALA 94 CO -0.03 -1.30 0.59 0.41 0.00 0.00 0.00 175.76 175.42 1jsa n GLY 95 N 5.23 1.64 0.05 0.00 0.00 -1.26 -4.70 105.19 106.15 1jsa n GLY 95 Ca -0.08 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.11 1jsa n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 96 N 1.97 3.54 0.00 1.61 5.02 -1.26 -4.99 118.16 124.06 1jsa n LYS 96 Ca 0.20 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1jsa n LYS 96 Cb 0.54 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jsa n THR 97 N -0.98 0.00 -1.28 -0.18 -2.24 -1.26 -5.07 114.28 103.27 1jsa n THR 97 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1jsa n THR 97 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1jsa n THR 97 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jsa n ASN 98 N 0.00 0.00 0.00 3.42 2.85 -1.26 -5.11 115.26 115.16 1jsa n ASN 98 Ca 0.00 -0.64 0.00 0.00 -0.11 0.00 0.00 54.58 53.83 1jsa n ASN 98 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1jsa n ASN 98 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jsa n GLN 99 N 0.00 0.00 -1.52 1.20 10.64 -1.26 -4.83 117.38 121.62 1jsa n GLN 99 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 1jsa n GLN 99 Cb 0.29 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.59 1jsa n GLN 99 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1jsa n LYS 100 N 0.00 -1.48 0.00 2.61 5.02 -1.26 -4.89 118.16 118.16 1jsa n LYS 100 Ca 0.00 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.39 1jsa n LYS 100 Cb 0.00 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 29.54 1jsa n LYS 100 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jsa n LEU 101 N -2.10 1.17 0.13 -0.35 4.77 -1.26 -2.19 117.00 117.18 1jsa n LEU 101 Ca -0.18 0.11 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1jsa n LEU 101 Cb 0.63 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 42.06 1jsa n LEU 101 CO 0.27 0.00 1.12 1.05 -1.33 0.00 0.00 177.39 178.50 1jsa h GLU 102 N 0.00 0.00 -0.06 3.23 -0.00 -1.93 1.33 114.58 117.15 1jsa h GLU 102 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.13 1jsa h GLU 102 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1jsa h GLU 102 CO 0.00 0.00 -0.89 2.35 -0.00 0.00 0.00 179.01 180.47 1jsa h TRP 103 N 0.00 0.88 -0.69 2.06 2.91 -1.95 -3.21 115.95 115.94 1jsa h TRP 103 Ca 0.18 -0.43 -0.03 0.00 1.13 0.00 0.00 58.89 59.73 1jsa h TRP 103 Cb 2.01 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 30.51 1jsa h TRP 103 CO 0.00 1.25 0.32 0.00 -1.03 0.00 0.00 178.44 178.98 1jsa h ALA 104 N 0.62 1.25 -1.31 2.65 0.00 0.23 -2.44 119.26 120.25 1jsa h ALA 104 Ca -0.08 -0.15 0.42 0.00 0.00 0.00 0.00 54.91 55.10 1jsa h ALA 104 Cb 1.52 -0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1jsa h ALA 104 CO 0.17 0.57 0.85 0.35 0.00 0.00 0.00 179.25 181.19 1jsa h PHE 105 N 0.99 0.50 0.60 0.00 3.04 -1.53 0.23 116.94 120.77 1jsa h PHE 105 Ca 0.24 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1jsa h PHE 105 Cb 0.13 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.52 1jsa h PHE 105 CO 0.01 -0.16 -0.29 0.77 -2.02 0.00 0.00 178.31 176.63 1jsa h SER 106 N 0.12 -0.69 0.07 0.41 0.02 -1.60 0.36 113.55 112.25 1jsa h SER 106 Ca 0.79 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.77 1jsa h SER 106 Cb 2.47 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 65.16 1jsa h SER 106 CO -0.37 -0.48 -0.21 0.25 -1.14 0.00 0.00 176.83 174.88 1jsa h LEU 107 N -0.83 -0.60 -2.23 5.07 7.12 -0.73 -0.88 115.31 122.23 1jsa h LEU 107 Ca -0.08 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1jsa h LEU 107 Cb 0.63 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1jsa h LEU 107 CO 0.14 -0.29 -0.03 1.88 -0.13 0.00 0.00 178.44 180.01 1jsa h TYR 108 N -0.37 0.00 -1.85 1.25 -1.99 -1.26 -3.08 116.97 109.67 1jsa h TYR 108 Ca 0.04 0.00 -0.78 0.00 2.00 0.00 0.00 58.73 59.99 1jsa h TYR 108 Cb 0.41 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 38.94 1jsa h TYR 108 CO -0.22 0.03 1.64 -3.47 -0.00 0.00 0.00 178.16 176.14 1jsa n ASP 109 N -4.01 7.01 -0.32 3.88 -0.08 0.13 -4.67 116.55 118.48 1jsa n ASP 109 Ca -0.03 -3.35 0.10 0.00 -1.51 0.00 0.00 54.79 50.00 1jsa n ASP 109 Cb 0.12 -1.31 0.23 0.00 2.34 0.00 0.00 41.12 42.49 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1jsa h VAL 110 N 2.85 0.13 0.45 5.18 2.07 -1.62 -2.18 116.25 123.13 1jsa h VAL 110 Ca 0.50 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.99 1jsa h VAL 110 Cb 0.42 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1jsa h VAL 110 CO 1.39 0.01 -0.22 -2.24 0.02 0.00 0.00 177.57 176.53 1jsa h ASP 111 N 0.04 -0.51 0.00 0.57 2.03 -1.89 -3.46 116.42 113.20 1jsa h ASP 111 Ca 0.52 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1jsa h ASP 111 Cb 0.99 0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1jsa h ASP 111 CO -0.85 -0.20 0.00 0.61 -1.03 0.00 0.00 179.24 177.77 1jsa n GLY 112 N -0.09 0.78 1.02 7.15 0.00 -0.82 -5.07 105.19 108.16 1jsa n GLY 112 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.19 -1.41 1.61 6.94 -1.26 -4.97 115.26 116.36 1jsa n ASN 113 Ca 0.00 -1.87 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 1jsa n ASN 113 Cb 0.00 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 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 0.21 1.24 3.18 4.83 0.00 -1.26 -4.89 105.19 108.50 1jsa n GLY 114 Ca -0.04 0.00 -0.10 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 -2.14 -0.58 -0.08 2.61 -4.23 -1.26 -3.55 115.64 106.41 1jsa s THR 115 Ca 0.00 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1jsa s THR 115 Cb 0.00 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.18 1jsa s THR 115 CO 0.00 0.08 0.32 -0.63 -0.54 0.00 0.00 174.62 173.85 1jsa s ILE 116 N 2.56 5.22 0.53 2.99 1.01 0.29 -4.91 121.20 128.87 1jsa s ILE 116 Ca -0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1jsa s ILE 116 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1jsa s ILE 116 CO -0.12 0.52 0.03 -1.54 0.00 0.00 0.00 174.94 173.84 1jsa n SER 117 N 2.43 3.41 -0.34 3.58 3.41 -1.26 -2.32 113.62 122.53 1jsa n SER 117 Ca -0.14 -3.27 -0.01 0.00 -0.26 0.00 0.00 58.87 55.19 1jsa n SER 117 Cb 0.53 0.34 0.14 0.00 -0.26 0.00 0.00 64.21 64.96 1jsa n SER 117 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jsa h LYS 118 N 0.00 1.24 0.71 4.33 3.64 -1.98 -2.76 116.57 121.76 1jsa h LYS 118 Ca -0.43 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1jsa h LYS 118 Cb 1.32 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1jsa h LYS 118 CO 0.71 0.82 -0.38 -0.97 -2.27 0.00 0.00 179.45 177.36 1jsa h ASN 119 N 1.28 -0.93 -0.35 4.20 -1.24 -2.00 -2.26 115.58 114.29 1jsa h ASN 119 Ca 0.35 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.47 1jsa h ASN 119 Cb -0.13 0.25 -0.08 0.00 0.73 0.00 0.00 38.32 39.09 1jsa h ASN 119 CO -0.08 -0.62 -0.44 -0.33 -1.29 0.00 0.00 177.43 174.67 1jsa h GLU 120 N -1.01 -0.36 -1.03 6.67 5.08 -1.88 0.21 114.58 122.27 1jsa h GLU 120 Ca -0.09 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.55 1jsa h GLU 120 Cb 0.79 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 1jsa h GLU 120 CO 0.13 -0.24 0.67 0.28 -1.00 0.00 0.00 179.01 178.86 1jsa h VAL 121 N -0.37 0.54 -0.79 3.13 2.07 -1.42 0.28 116.25 119.68 1jsa h VAL 121 Ca 0.12 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jsa h VAL 121 Cb 0.60 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1jsa h VAL 121 CO -0.54 0.06 0.51 0.25 0.02 0.00 0.00 177.57 177.87 1jsa h LEU 122 N 0.35 0.92 0.02 2.57 6.46 0.03 -0.96 115.31 124.71 1jsa h LEU 122 Ca 0.57 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.29 1jsa h LEU 122 Cb 1.53 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1jsa h LEU 122 CO -0.24 0.68 -0.01 -0.33 -0.62 0.00 0.00 178.44 177.92 1jsa h GLU 123 N 1.08 -0.03 -0.71 1.25 5.08 -0.20 -1.10 114.58 119.95 1jsa h GLU 123 Ca 0.29 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1jsa h GLU 123 Cb -0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1jsa h GLU 123 CO -0.06 0.36 0.45 0.82 -1.00 0.00 0.00 179.01 179.58 1jsa h ILE 124 N -0.42 1.09 0.25 3.13 1.08 -1.27 -0.23 117.51 121.15 1jsa h ILE 124 Ca -0.00 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1jsa h ILE 124 Cb 0.40 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1jsa h ILE 124 CO 0.00 0.16 -0.12 0.58 -0.69 0.00 0.00 178.15 178.08 1jsa h VAL 125 N 0.87 0.80 -0.03 1.67 2.07 -1.16 -2.65 116.25 117.82 1jsa h VAL 125 Ca 0.29 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1jsa h VAL 125 Cb 0.03 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1jsa h VAL 125 CO -0.11 0.10 -0.19 0.74 0.02 0.00 0.00 177.57 178.13 1jsa h THR 126 N -0.59 0.53 -0.12 2.57 2.02 -1.02 -2.51 112.91 113.79 1jsa h THR 126 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1jsa h THR 126 Cb 0.43 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1jsa h THR 126 CO 0.06 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.63 1jsa h ALA 127 N 0.62 -0.66 -0.67 6.16 0.00 -1.05 -0.92 119.26 122.73 1jsa h ALA 127 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1jsa h ALA 127 Cb 0.39 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1jsa h ALA 127 CO -0.20 -0.79 -0.50 0.82 0.00 0.00 0.00 179.25 178.59 1jsa h ILE 128 N -0.30 0.00 -1.15 0.00 2.04 -1.35 1.22 117.51 117.97 1jsa h ILE 128 Ca 0.02 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.21 1jsa h ILE 128 Cb 0.38 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1jsa h ILE 128 CO -0.28 0.00 0.81 -0.26 0.00 0.00 0.00 178.15 178.42 1jsa h PHE 129 N -0.13 0.11 0.00 1.37 -1.00 -1.04 2.27 116.94 118.52 1jsa h PHE 129 Ca 0.11 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 1jsa h PHE 129 Cb 0.41 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 1jsa h PHE 129 CO -0.91 0.01 -0.09 -0.22 -1.61 0.00 0.00 178.31 175.49 1jsa h LYS 130 N 0.06 0.00 0.00 1.51 1.63 0.29 -2.46 116.57 117.60 1jsa h LYS 130 Ca 0.56 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1jsa h LYS 130 Cb 2.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 1jsa h LYS 130 CO -0.06 0.09 -0.55 -0.12 -3.45 0.00 0.00 179.45 175.37 1jsa n MET 131 N -3.21 0.22 -2.69 1.90 1.56 0.76 -2.10 117.12 113.57 1jsa n MET 131 Ca 0.01 0.07 -0.40 0.00 -0.27 0.00 0.00 57.70 57.10 1jsa n MET 131 Cb 0.39 -1.64 -0.05 0.00 2.15 0.00 0.00 33.22 34.06 1jsa n MET 131 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1jsa s ILE 132 N -3.12 4.11 0.36 1.12 1.01 -0.77 -4.49 121.20 119.42 1jsa s ILE 132 Ca 0.08 1.97 -0.17 0.00 0.00 0.00 0.00 60.65 62.53 1jsa s ILE 132 Cb 0.14 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1jsa s ILE 132 CO 0.70 0.41 0.81 -0.94 0.00 0.00 0.00 174.94 175.92 1jsa s SER 133 N -0.70 6.83 0.26 3.58 1.04 -1.26 -4.79 113.70 118.66 1jsa s SER 133 Ca 0.44 1.41 -0.02 0.00 0.48 0.00 0.00 55.95 58.26 1jsa s SER 133 Cb -0.26 -2.43 0.47 0.00 0.10 0.00 0.00 66.02 63.90 1jsa s SER 133 CO 0.33 -0.26 1.81 -0.65 0.98 0.00 0.00 173.24 175.44 1jsa h PRO 134 N 2.13 0.78 -1.18 4.02 0.10 -1.96 0.05 132.00 135.94 1jsa h PRO 134 Ca -0.48 -0.05 0.35 0.00 0.10 0.00 0.00 66.00 65.92 1jsa h PRO 134 Cb 1.18 -0.18 -0.10 0.00 0.10 0.00 0.00 31.00 32.00 1jsa h PRO 134 CO 0.64 0.52 0.77 1.49 0.10 0.00 0.00 178.00 181.52 1jsa h GLU 135 N 0.81 0.22 0.04 1.05 4.81 -1.99 0.43 114.58 119.94 1jsa h GLU 135 Ca 0.44 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 59.28 1jsa h GLU 135 Cb 0.46 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1jsa h GLU 135 CO -0.28 0.15 -2.25 -3.47 -0.73 0.00 0.00 179.01 172.43 1jsa n ASP 136 N -4.60 1.69 0.28 1.04 2.03 -0.25 -4.19 116.55 112.54 1jsa n ASP 136 Ca 0.30 0.04 0.15 0.00 0.52 0.00 0.00 54.79 55.80 1jsa n ASP 136 Cb 1.15 -0.35 0.80 0.00 -0.72 0.00 0.00 41.12 42.01 1jsa n ASP 136 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1jsa h THR 137 N 0.02 0.37 0.00 5.18 2.02 0.17 -2.67 112.91 118.00 1jsa h THR 137 Ca -0.50 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1jsa h THR 137 Cb 2.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1jsa h THR 137 CO -0.00 0.08 0.00 2.29 0.37 0.00 0.00 175.52 178.25 1jsa n LYS 138 N -3.45 0.00 -0.11 6.66 2.85 0.14 -0.80 118.16 123.45 1jsa n LYS 138 Ca -0.02 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.29 1jsa n LYS 138 Cb 0.22 -1.00 0.07 0.00 -0.65 0.00 0.00 35.03 33.67 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jsa n HIS 139 N -0.43 0.00 -1.68 5.58 8.25 -1.01 -5.05 115.22 120.89 1jsa n HIS 139 Ca 0.00 -0.63 -0.43 0.00 -0.26 0.00 0.00 57.72 56.40 1jsa n HIS 139 Cb 0.00 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 1jsa n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jsa n LEU 140 N -0.85 4.00 -4.73 2.41 4.77 0.02 -4.88 117.00 117.75 1jsa n LEU 140 Ca 0.08 0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1jsa n LEU 140 Cb 0.54 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1jsa n LEU 140 CO 0.00 0.15 1.33 -2.65 -1.33 0.00 0.00 177.39 174.89 1jsa n PRO 141 N 6.32 2.76 -1.92 3.23 -0.01 -1.26 -4.83 135.00 139.29 1jsa n PRO 141 Ca 0.19 0.99 -0.23 0.00 -0.01 0.00 0.00 63.50 64.44 1jsa n PRO 141 Cb 0.37 -2.81 -0.06 0.00 -0.01 0.00 0.00 33.50 30.99 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 1jsa s GLU 142 N 0.52 2.23 0.00 -0.52 -1.05 -1.26 -3.03 118.70 115.59 1jsa s GLU 142 Ca 0.71 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.22 1jsa s GLU 142 Cb -0.50 -5.03 0.00 0.00 -0.44 0.00 0.00 34.13 28.16 1jsa s GLU 142 CO 0.38 -3.89 0.00 -3.47 0.95 0.00 0.00 175.26 169.23 1jsa n ASP 143 N 15.50 0.00 -2.68 0.83 2.03 -1.26 -4.98 116.55 125.99 1jsa n ASP 143 Ca 0.43 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.65 1jsa n ASP 143 Cb 0.46 0.05 0.05 0.00 -0.72 0.00 0.00 41.12 40.96 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jsa n GLU 144 N -1.55 1.15 -0.46 -0.67 1.02 -1.17 -4.95 120.64 114.01 1jsa n GLU 144 Ca 0.00 -2.94 -0.04 0.00 -0.02 0.00 0.00 57.16 54.16 1jsa n GLU 144 Cb 0.00 -0.99 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.17 4.81 -3.90 1.62 6.94 -1.24 -4.38 115.26 118.93 1jsa n ASN 145 Ca 0.07 -2.46 -0.09 0.00 -0.02 0.00 0.00 54.58 52.08 1jsa n ASN 145 Cb 0.82 -0.92 -0.08 0.00 -2.36 0.00 0.00 39.78 37.25 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jsa s THR 146 N -0.56 0.14 0.05 5.53 -4.23 -1.26 -5.04 115.64 110.28 1jsa s THR 146 Ca 0.08 -1.30 -0.34 0.00 -1.18 0.00 0.00 61.69 58.95 1jsa s THR 146 Cb 0.06 -1.45 -0.19 0.00 1.34 0.00 0.00 72.50 72.27 1jsa s THR 146 CO 0.00 -0.64 1.48 1.55 -0.54 0.00 0.00 174.62 176.48 1jsa h PRO 147 N 2.77 -1.18 0.00 3.99 0.13 -1.93 -0.62 132.00 135.17 1jsa h PRO 147 Ca -0.34 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jsa h PRO 147 Cb 1.20 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1jsa h PRO 147 CO 0.56 -0.78 0.02 1.49 -0.23 0.00 0.00 178.00 179.06 1jsa h GLU 148 N -1.24 0.00 0.11 0.86 4.22 -1.97 0.60 114.58 117.15 1jsa h GLU 148 Ca -0.12 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.16 1jsa h GLU 148 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 1jsa h GLU 148 CO 0.20 0.00 -0.71 0.87 -2.18 0.00 0.00 179.01 177.20 1jsa h LYS 149 N 0.00 0.23 0.07 1.92 6.56 -1.73 -3.34 116.57 120.28 1jsa h LYS 149 Ca 0.00 -0.40 -0.30 0.00 -1.06 0.00 0.00 60.65 58.90 1jsa h LYS 149 Cb 0.04 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 1jsa h LYS 149 CO 0.00 1.19 -1.55 0.00 -2.06 0.00 0.00 179.45 177.03 1jsa h ARG 150 N -0.50 0.15 -1.26 3.15 3.08 -0.32 -3.30 114.38 115.38 1jsa h ARG 150 Ca -0.13 -0.26 0.36 0.00 0.07 0.00 0.00 59.98 60.02 1jsa h ARG 150 Cb 1.52 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.61 1jsa h ARG 150 CO 0.11 0.95 0.89 0.00 -1.07 0.00 0.00 179.97 180.85 1jsa h ALA 151 N 0.65 3.09 0.00 0.04 0.00 0.01 2.29 119.26 125.33 1jsa h ALA 151 Ca -0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1jsa h ALA 151 Cb 1.98 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1jsa h ALA 151 CO 0.13 -1.47 -0.53 1.49 0.00 0.00 0.00 179.25 178.87 1jsa h GLU 152 N 0.05 0.00 0.20 0.00 4.22 -1.68 -2.46 114.58 114.91 1jsa h GLU 152 Ca 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 60.05 1jsa h GLU 152 Cb 2.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.61 1jsa h GLU 152 CO -0.06 0.53 -0.10 -0.22 -2.18 0.00 0.00 179.01 176.98 1jsa h LYS 153 N 0.00 -0.26 0.21 1.92 1.63 0.37 0.73 116.57 121.18 1jsa h LYS 153 Ca -0.01 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1jsa h LYS 153 Cb 0.98 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1jsa h LYS 153 CO 0.07 -0.01 -0.10 0.82 -3.45 0.00 0.00 179.45 176.78 1jsa h ILE 154 N -0.48 0.00 -0.77 2.00 2.04 -1.45 0.30 117.51 119.15 1jsa h ILE 154 Ca -0.03 -0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1jsa h ILE 154 Cb 0.37 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.34 1jsa h ILE 154 CO 0.04 0.00 0.26 -0.25 0.00 0.00 0.00 178.15 178.20 1jsa h TRP 155 N -0.29 0.42 0.00 1.37 2.91 -1.53 0.82 115.95 119.65 1jsa h TRP 155 Ca -0.03 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 1jsa h TRP 155 Cb 0.22 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1jsa h TRP 155 CO 0.18 -0.03 -0.02 0.78 -1.03 0.00 0.00 178.44 178.32 1jsa h GLY 156 N 0.35 0.00 0.57 2.65 0.00 0.64 -2.82 103.07 104.46 1jsa h GLY 156 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1jsa h GLY 156 CO -0.48 0.00 -0.34 -2.75 0.00 0.00 0.00 176.54 172.97 1jsa h PHE 157 N 0.00 -0.91 -1.03 5.60 3.04 0.46 -2.10 116.94 122.00 1jsa h PHE 157 Ca -0.00 -0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.21 1jsa h PHE 157 Cb 0.04 0.32 -0.07 0.00 2.56 0.00 0.00 35.95 38.80 1jsa h PHE 157 CO 0.00 -0.51 0.70 0.74 -2.02 0.00 0.00 178.31 177.21 1jsa h PHE 158 N -0.85 0.37 -2.97 0.41 0.04 -1.37 -3.46 116.94 109.11 1jsa h PHE 158 Ca -0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1jsa h PHE 158 Cb 0.68 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1jsa h PHE 158 CO -0.02 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 1jsa n GLY 159 N -1.59 -0.44 3.72 -1.45 0.00 -0.79 -5.05 105.19 99.58 1jsa n GLY 159 Ca 0.23 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.19 4.00 0.00 1.61 -0.14 -1.26 -5.07 119.74 116.69 1jsa s LYS 160 Ca 0.00 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 1jsa s LYS 160 Cb 0.00 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 1jsa s LYS 160 CO 0.00 0.36 0.00 1.17 -0.76 0.00 0.00 175.35 176.12 1jsa n LYS 161 N 3.30 3.47 0.00 1.68 4.81 -1.26 -4.93 118.16 125.23 1jsa n LYS 161 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1jsa n LYS 161 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jsa n ASP 162 N 0.00 0.00 -3.86 3.14 8.00 -1.26 -4.00 116.55 118.56 1jsa n ASP 162 Ca 0.00 0.93 -0.39 0.00 0.71 0.00 0.00 54.79 56.04 1jsa n ASP 162 Cb 0.00 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1jsa n ASP 163 N -1.91 5.80 -3.63 -2.24 5.75 -1.26 -4.88 116.55 114.18 1jsa n ASP 163 Ca 0.00 -3.42 -0.28 0.00 -0.01 0.00 0.00 54.79 51.08 1jsa n ASP 163 Cb 0.00 -1.13 -0.11 0.00 -1.03 0.00 0.00 41.12 38.85 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 -1.96 3.04 0.14 -1.12 1.11 -1.26 -5.10 116.67 111.52 1jsa s ASP 164 Ca 0.33 -3.25 -0.17 0.00 0.18 0.00 0.00 52.55 49.64 1jsa s ASP 164 Cb 0.07 -0.96 -0.07 0.00 1.07 0.00 0.00 42.92 43.03 1jsa s ASP 164 CO 0.08 -0.16 0.60 -0.54 1.18 0.00 0.00 175.17 176.33 1jsa s LYS 165 N -0.40 4.13 -0.06 8.23 3.01 -1.26 -4.55 119.74 128.84 1jsa s LYS 165 Ca 0.27 0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 55.61 1jsa s LYS 165 Cb -0.05 -3.03 -0.03 0.00 -1.01 0.00 0.00 37.83 33.71 1jsa s LYS 165 CO -0.15 0.52 1.09 -1.17 0.51 0.00 0.00 175.35 176.15 1jsa s LEU 166 N -1.65 4.29 0.25 3.17 2.96 -0.98 -4.85 118.68 121.87 1jsa s LEU 166 Ca 0.36 1.70 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 1jsa s LEU 166 Cb -0.17 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1jsa s LEU 166 CO 0.20 -0.47 0.26 -0.89 -1.32 0.00 0.00 176.35 174.12 1jsa s THR 167 N 1.85 4.64 0.28 3.68 2.01 -1.26 -0.55 115.64 126.29 1jsa s THR 167 Ca 0.53 -1.27 0.32 0.00 0.31 0.00 0.00 61.69 61.58 1jsa s THR 167 Cb -0.22 -3.53 0.32 0.00 0.01 0.00 0.00 72.50 69.08 1jsa s THR 167 CO 0.22 -0.33 1.98 -0.33 -0.69 0.00 0.00 174.62 175.47 1jsa h GLU 168 N 1.37 0.00 0.30 4.92 5.08 -1.96 0.23 114.58 124.51 1jsa h GLU 168 Ca -0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1jsa h GLU 168 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jsa h GLU 168 CO 0.60 0.00 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.25 1jsa h LYS 169 N 0.00 -0.39 -0.04 2.33 1.63 -1.93 -3.31 116.57 114.86 1jsa h LYS 169 Ca 0.00 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1jsa h LYS 169 Cb 0.09 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1jsa h LYS 169 CO 0.00 -0.26 -0.59 1.05 -3.45 0.00 0.00 179.45 176.20 1jsa h GLU 170 N -0.84 0.15 -1.08 1.90 4.11 -1.89 -2.93 114.58 113.99 1jsa h GLU 170 Ca -0.04 -0.10 0.31 0.00 0.07 0.00 0.00 59.36 59.60 1jsa h GLU 170 Cb 0.31 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1jsa h GLU 170 CO 0.07 0.69 0.96 0.35 0.07 0.00 0.00 179.01 181.15 1jsa h PHE 171 N 0.11 0.00 0.03 2.06 3.04 -0.67 1.28 116.94 122.79 1jsa h PHE 171 Ca -0.00 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.64 1jsa h PHE 171 Cb 1.07 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.53 1jsa h PHE 171 CO 0.01 0.00 -1.77 -0.89 -2.02 0.00 0.00 178.31 173.64 1jsa n ILE 172 N -3.74 1.65 -0.07 1.41 5.41 -1.11 -4.12 119.36 118.79 1jsa n ILE 172 Ca 0.23 -0.77 -0.15 0.00 1.00 0.00 0.00 62.75 63.07 1jsa n ILE 172 Cb 1.31 -1.19 -0.13 0.00 -0.71 0.00 0.00 39.64 38.92 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.02 0.00 -1.55 0.38 5.08 0.11 -1.57 114.58 117.04 1jsa h GLU 173 Ca -0.32 0.00 0.45 0.00 -1.00 0.00 0.00 59.36 58.50 1jsa h GLU 173 Cb 2.02 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.21 1jsa h GLU 173 CO 0.08 0.98 1.18 0.78 -1.00 0.00 0.00 179.01 181.03 1jsa h GLY 174 N -1.00 0.00 0.21 -3.84 0.00 0.54 1.40 103.07 100.39 1jsa h GLY 174 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1jsa h GLY 174 CO -0.03 0.00 -1.99 -0.37 0.00 0.00 0.00 176.54 174.16 1jsa n THR 175 N -3.93 0.71 0.15 4.70 5.66 -1.23 -3.55 114.28 116.79 1jsa n THR 175 Ca 0.34 -0.66 0.06 0.00 -3.05 0.00 0.00 64.05 60.74 1jsa n THR 175 Cb 1.66 -0.30 0.53 0.00 -1.55 0.00 0.00 70.33 70.67 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1jsa h LEU 176 N 0.00 0.19 0.00 1.09 5.85 0.29 -3.31 115.31 119.42 1jsa h LEU 176 Ca -0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1jsa h LEU 176 Cb 1.53 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1jsa h LEU 176 CO 0.02 0.17 -0.15 0.00 -0.34 0.00 0.00 178.44 178.14 1jsa n ALA 177 N -2.51 0.13 -2.06 1.25 0.00 -0.84 -4.83 120.51 111.65 1jsa n ALA 177 Ca -0.01 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1jsa n ALA 177 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 -4.14 6.31 0.00 0.00 0.01 -1.23 -4.84 114.94 111.05 1jsa s ASN 178 Ca -0.04 1.68 0.27 0.00 -0.71 0.00 0.00 52.86 54.06 1jsa s ASN 178 Cb 0.01 -2.53 0.87 0.00 0.41 0.00 0.00 41.25 40.01 1jsa s ASN 178 CO 0.06 -1.31 1.67 0.29 -1.51 0.00 0.00 177.10 176.31 1jsa n LYS 179 N 7.75 0.00 0.01 -0.60 5.02 -1.26 -3.39 118.16 125.69 1jsa n LYS 179 Ca 0.20 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.61 1jsa n LYS 179 Cb 0.45 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.50 1jsa n LYS 179 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jsa n GLU 180 N -1.50 0.03 0.00 1.97 4.71 -1.26 -3.78 120.64 120.80 1jsa n GLU 180 Ca 0.06 0.07 -0.01 0.00 -0.01 0.00 0.00 57.16 57.28 1jsa n GLU 180 Cb 0.34 -1.54 -0.00 0.00 -1.01 0.00 0.00 31.44 29.23 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1jsa h ILE 181 N 0.00 0.00 0.00 -3.67 2.04 -1.91 -3.19 117.51 110.78 1jsa h ILE 181 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1jsa h ILE 181 Cb 0.48 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1jsa h ILE 181 CO 0.00 0.00 0.56 0.17 0.00 0.00 0.00 178.15 178.88 1jsa h LEU 182 N -0.50 0.00 0.00 1.44 8.10 -1.77 1.56 115.31 124.14 1jsa h LEU 182 Ca -0.01 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 1jsa h LEU 182 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 1jsa h LEU 182 CO 0.01 0.00 -0.75 -0.09 -4.11 0.00 0.00 178.44 173.50 1jsa h ARG 183 N 0.00 0.00 0.00 0.17 9.65 -1.65 -3.27 114.38 119.28 1jsa h ARG 183 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jsa h ARG 183 Cb 1.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1jsa h ARG 183 CO 0.00 0.41 0.00 1.28 2.80 0.00 0.00 179.97 184.46 1jsa n LEU 184 N -3.11 0.42 0.00 3.80 7.99 0.53 -4.09 117.00 122.54 1jsa n LEU 184 Ca -0.01 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 1jsa n LEU 184 Cb 0.75 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 1jsa n LEU 184 CO 0.41 -0.38 0.48 2.30 -1.51 0.00 0.00 177.39 178.70 1jsa n ILE 185 N -1.90 0.81 -1.50 -0.08 -5.35 -1.13 -4.56 119.36 105.65 1jsa n ILE 185 Ca 0.00 0.48 -0.41 0.00 -0.27 0.00 0.00 62.75 62.55 1jsa n ILE 185 Cb 0.00 -1.48 -0.12 0.00 -1.74 0.00 0.00 39.64 36.30 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 -1.19 0.29 -3.62 6.28 0.00 -1.23 -4.87 117.38 113.03 1jsa n GLN 186 Ca 0.00 0.01 -0.36 0.00 -0.00 0.00 0.00 57.00 56.65 1jsa n GLN 186 Cb 0.28 -2.00 -0.06 0.00 0.00 0.00 0.00 30.24 28.47 1jsa n GLN 186 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1jsa s PHE 187 N 9.52 3.65 0.00 3.69 -0.71 -1.26 -5.08 117.98 127.78 1jsa s PHE 187 Ca 1.25 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 57.94 1jsa s PHE 187 Cb -1.00 -2.15 0.00 0.00 -1.21 0.00 0.00 43.02 38.66 1jsa s PHE 187 CO 0.45 0.62 0.00 -1.91 -1.34 0.00 0.00 175.22 173.04