#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 0.45 -4.90 1.61 4.05 -1.26 -4.92 115.26 110.30 1jsa n ASN 2 Ca 0.00 1.14 -0.30 0.00 0.45 0.00 0.00 54.58 55.87 1jsa n ASN 2 Cb 0.00 -1.05 -0.04 0.00 1.23 0.00 0.00 39.78 39.92 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1jsa s SER 3 N -0.05 6.50 -0.23 1.20 0.01 -1.26 -4.98 113.70 114.90 1jsa s SER 3 Ca 0.82 0.68 0.10 0.00 1.31 0.00 0.00 55.95 58.86 1jsa s SER 3 Cb -1.06 -2.13 0.64 0.00 0.21 0.00 0.00 66.02 63.68 1jsa s SER 3 CO 0.54 -0.05 1.56 0.29 0.41 0.00 0.00 173.24 175.99 1jsa n LYS 4 N -0.29 3.76 -1.61 12.44 5.02 -1.26 -4.87 118.16 131.34 1jsa n LYS 4 Ca -0.02 -2.54 -0.11 0.00 -2.02 0.00 0.00 58.31 53.63 1jsa n LYS 4 Cb 0.53 -2.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jsa n SER 5 N 0.25 -3.05 -1.07 4.39 7.64 -1.26 -4.30 113.62 116.21 1jsa n SER 5 Ca 0.28 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1jsa n SER 5 Cb 1.11 -2.84 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N -0.35 -4.15 0.00 0.23 0.00 -1.26 -4.27 105.19 95.39 1jsa n GLY 6 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.68 1.49 -1.55 4.61 0.00 -1.26 -4.43 120.51 118.69 1jsa n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 7 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1jsa n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jsa n LEU 8 N -0.70 0.00 0.00 0.00 4.77 -1.26 -4.57 117.00 115.24 1jsa n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jsa n LEU 8 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jsa n LEU 8 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 1jsa n SER 9 N 0.00 0.00 -0.17 -1.43 2.88 -1.26 -2.86 113.62 110.78 1jsa n SER 9 Ca 0.00 0.00 0.29 0.00 -1.33 0.00 0.00 58.87 57.83 1jsa n SER 9 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.16 -1.46 1.57 -1.90 1.69 116.57 116.63 1jsa h LYS 10 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1jsa h LYS 10 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jsa h LYS 10 CO 0.00 0.00 -1.68 0.93 -0.57 0.00 0.00 179.45 178.13 1jsa h GLU 11 N 0.00 0.33 0.00 3.15 3.07 -1.77 -3.23 114.58 116.14 1jsa h GLU 11 Ca 0.44 -0.57 -0.17 0.00 -0.50 0.00 0.00 59.36 58.56 1jsa h GLU 11 Cb 2.28 0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 30.38 1jsa h GLU 11 CO -0.00 1.23 -0.95 0.82 -1.40 0.00 0.00 179.01 178.70 1jsa h ILE 12 N 0.09 0.97 -0.96 3.13 1.08 0.24 -3.36 117.51 118.71 1jsa h ILE 12 Ca -0.31 -2.08 0.20 0.00 -0.39 0.00 0.00 64.86 62.27 1jsa h ILE 12 Cb 2.07 2.19 -0.08 0.00 -3.07 0.00 0.00 36.82 37.93 1jsa h ILE 12 CO 0.17 0.33 0.61 -0.07 -0.69 0.00 0.00 178.15 178.50 1jsa h LEU 13 N -1.00 0.58 -1.58 1.44 3.38 0.19 0.78 115.31 119.10 1jsa h LEU 13 Ca -0.25 0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.94 1jsa h LEU 13 Cb 1.16 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1jsa h LEU 13 CO -0.15 0.22 0.71 -0.08 0.09 0.00 0.00 178.44 179.22 1jsa h GLU 14 N 0.57 0.00 0.00 1.13 4.22 -1.64 3.06 114.58 121.92 1jsa h GLU 14 Ca 0.52 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.96 1jsa h GLU 14 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1jsa h GLU 14 CO -0.26 0.00 0.00 0.39 -2.18 0.00 0.00 179.01 176.96 1jsa n GLU 15 N -3.39 0.22 0.00 1.92 -0.58 0.27 -4.49 120.64 114.59 1jsa n GLU 15 Ca 0.11 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1jsa n GLU 15 Cb 0.90 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1jsa n LEU 16 N -1.33 0.00 0.00 -4.62 -0.00 1.02 0.31 117.00 112.38 1jsa n LEU 16 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1jsa n LEU 16 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1jsa n LEU 16 CO 0.16 0.00 0.49 0.00 -0.00 0.00 0.00 177.39 178.04 1jsa n GLN 17 N -1.75 0.00 -2.42 1.47 1.13 -1.26 -4.46 117.38 110.09 1jsa n GLN 17 Ca 0.00 0.30 -0.24 0.00 -1.94 0.00 0.00 57.00 55.11 1jsa n GLN 17 Cb 0.00 -1.68 0.05 0.00 0.11 0.00 0.00 30.24 28.72 1jsa n GLN 17 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1jsa s LEU 18 N -2.58 3.09 0.05 1.08 2.96 0.92 -4.95 118.68 119.24 1jsa s LEU 18 Ca 0.00 0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 54.08 1jsa s LEU 18 Cb 0.00 -3.13 -0.10 0.00 0.50 0.00 0.00 46.19 43.46 1jsa s LEU 18 CO 0.00 -1.30 0.46 -3.20 -1.32 0.00 0.00 176.35 171.00 1jsa n ASN 19 N -2.63 -0.31 0.15 3.68 5.15 -1.26 -4.57 115.26 115.48 1jsa n ASN 19 Ca 0.07 0.64 0.02 0.00 -0.60 0.00 0.00 54.58 54.71 1jsa n ASN 19 Cb 0.59 -0.52 0.13 0.00 -0.53 0.00 0.00 39.78 39.46 1jsa n ASN 19 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1jsa n THR 20 N 0.47 0.25 -1.21 -0.44 5.66 -1.26 -4.85 114.28 112.90 1jsa n THR 20 Ca 0.11 0.73 0.00 0.00 -3.05 0.00 0.00 64.05 61.84 1jsa n THR 20 Cb 0.09 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.13 1jsa n THR 20 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1jsa n LYS 21 N -1.82 -3.48 -0.32 1.09 3.00 -1.26 -4.52 118.16 110.84 1jsa n LYS 21 Ca -0.00 2.59 0.22 0.00 -0.00 0.00 0.00 58.31 61.11 1jsa n LYS 21 Cb 0.57 -2.91 0.49 0.00 0.00 0.00 0.00 35.03 33.18 1jsa n LYS 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1jsa h PHE 22 N 1.31 0.70 0.00 5.64 3.57 -2.00 -3.42 116.94 122.74 1jsa h PHE 22 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jsa h PHE 22 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1jsa h PHE 22 CO 0.00 0.07 0.00 -2.37 -2.23 0.00 0.00 178.31 173.78 1jsa n THR 23 N -4.65 0.00 0.33 4.41 5.66 -1.26 -4.97 114.28 113.79 1jsa n THR 23 Ca 0.25 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.27 1jsa n THR 23 Cb 0.85 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.71 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1jsa h GLU 24 N 0.00 0.00 0.00 1.09 -0.00 -1.86 2.17 114.58 115.98 1jsa h GLU 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1jsa h GLU 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1jsa h GLU 24 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 177.10 1jsa n GLU 25 N -2.51 0.23 0.03 1.06 4.07 -1.26 -3.13 120.64 119.13 1jsa n GLU 25 Ca -0.00 0.34 -0.17 0.00 -0.06 0.00 0.00 57.16 57.26 1jsa n GLU 25 Cb 0.93 -1.85 -0.14 0.00 -0.06 0.00 0.00 31.44 30.31 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1jsa h GLU 26 N 0.00 0.22 0.00 5.31 4.22 0.32 -3.32 114.58 121.33 1jsa h GLU 26 Ca 0.00 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1jsa h GLU 26 Cb 0.54 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1jsa h GLU 26 CO 0.00 1.04 0.00 1.28 -2.18 0.00 0.00 179.01 179.15 1jsa n LEU 27 N -3.39 0.00 0.00 1.64 4.32 -1.18 -3.22 117.00 115.16 1jsa n LEU 27 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 1jsa n LEU 27 Cb 1.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.85 1jsa n LEU 27 CO 0.47 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.10 1jsa n SER 28 N -0.59 0.00 -0.37 -1.43 3.41 -1.25 -4.34 113.62 109.05 1jsa n SER 28 Ca 0.00 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 58.90 1jsa n SER 28 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 1jsa n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jsa h SER 29 N 0.00 0.40 0.00 4.04 4.64 -1.81 0.92 113.55 121.74 1jsa h SER 29 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1jsa h SER 29 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1jsa h SER 29 CO 0.00 -0.15 0.56 -0.25 -0.87 0.00 0.00 176.83 176.12 1jsa h TRP 30 N 0.22 0.00 0.12 4.77 7.01 -1.77 -0.28 115.95 126.02 1jsa h TRP 30 Ca 0.76 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.75 1jsa h TRP 30 Cb 2.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.07 1jsa h TRP 30 CO -0.01 0.00 -0.06 -0.92 -2.79 0.00 0.00 178.44 174.67 1jsa h TYR 31 N 0.00 -0.15 0.54 2.65 5.03 0.70 -3.23 116.97 122.50 1jsa h TYR 31 Ca 0.00 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1jsa h TYR 31 Cb 1.11 0.05 0.01 0.00 1.55 0.00 0.00 36.73 39.45 1jsa h TYR 31 CO 0.00 0.08 -0.26 1.96 -1.32 0.00 0.00 178.16 178.62 1jsa h GLN 32 N -1.01 -0.70 -1.03 1.82 4.20 -1.22 -2.73 115.11 114.43 1jsa h GLN 32 Ca -0.02 0.05 0.30 0.00 0.06 0.00 0.00 58.65 59.04 1jsa h GLN 32 Cb 0.29 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1jsa h GLN 32 CO 0.03 -0.40 1.07 1.03 -0.67 0.00 0.00 178.83 179.89 1jsa h SER 33 N -1.07 0.00 0.44 1.46 0.87 -1.57 1.57 113.55 115.25 1jsa h SER 33 Ca -0.07 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.18 1jsa h SER 33 Cb 0.62 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1jsa h SER 33 CO 0.12 0.00 -1.39 0.15 -0.53 0.00 0.00 176.83 175.18 1jsa h PHE 34 N 0.00 0.73 -0.55 2.24 3.04 -1.52 -3.16 116.94 117.72 1jsa h PHE 34 Ca 0.49 -0.53 0.16 0.00 3.98 0.00 0.00 57.97 62.07 1jsa h PHE 34 Cb 2.62 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 41.08 1jsa h PHE 34 CO 0.00 1.43 0.42 -0.07 -2.02 0.00 0.00 178.31 178.07 1jsa h LEU 35 N 0.11 0.00 -0.11 0.59 3.38 0.26 0.26 115.31 119.79 1jsa h LEU 35 Ca -0.20 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 1jsa h LEU 35 Cb 2.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.83 1jsa h LEU 35 CO 0.24 0.00 -0.59 0.11 0.09 0.00 0.00 178.44 178.28 1jsa h LYS 36 N 0.00 0.60 0.00 1.13 1.57 -1.48 -2.31 116.57 116.09 1jsa h LYS 36 Ca 0.26 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1jsa h LYS 36 Cb 1.10 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1jsa h LYS 36 CO -0.00 1.12 0.00 0.39 -0.57 0.00 0.00 179.45 180.39 1jsa n GLU 37 N -4.14 0.30 -3.15 3.15 1.02 0.30 -4.61 120.64 113.51 1jsa n GLU 37 Ca -0.08 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.16 1jsa n GLU 37 Cb 0.65 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n PRO 39 N 5.21 2.32 0.00 0.00 -0.02 -0.88 -4.07 135.00 137.55 1jsa n PRO 39 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1jsa n PRO 39 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1jsa n PRO 39 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jsa n SER 40 N 0.00 0.00 0.00 2.55 3.41 -1.26 -4.56 113.62 113.76 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jsa n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsa n GLY 41 N 0.00 0.61 3.86 5.00 0.00 -1.26 -5.03 105.19 108.37 1jsa n GLY 41 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 2.98 -0.23 1.61 3.00 -1.26 -4.28 118.95 120.77 1jsa s ARG 42 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 55.73 54.65 1jsa s ARG 42 Cb 0.00 -2.61 0.07 0.00 0.00 0.00 0.00 34.95 32.41 1jsa s ARG 42 CO 0.00 0.33 0.06 0.42 0.00 0.00 0.00 175.30 176.11 1jsa s ILE 43 N -2.15 0.46 1.16 1.52 1.01 -1.17 -4.92 121.20 117.10 1jsa s ILE 43 Ca 0.35 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1jsa s ILE 43 Cb -0.08 -1.10 0.26 0.00 0.01 0.00 0.00 42.46 41.56 1jsa s ILE 43 CO 0.26 -0.37 1.11 -0.89 0.00 0.00 0.00 174.94 175.05 1jsa s THR 44 N 1.87 1.70 -0.37 2.92 2.01 -1.26 -2.56 115.64 119.95 1jsa s THR 44 Ca 0.02 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.24 1jsa s THR 44 Cb -0.17 -2.50 0.26 0.00 0.01 0.00 0.00 72.50 70.11 1jsa s THR 44 CO -0.15 0.00 1.54 -0.09 -0.69 0.00 0.00 174.62 175.24 1jsa h ARG 45 N -2.42 0.00 0.11 4.92 2.43 -2.00 -2.97 114.38 114.45 1jsa h ARG 45 Ca -0.47 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1jsa h ARG 45 Cb 1.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1jsa h ARG 45 CO 0.40 0.11 -0.06 0.37 -1.51 0.00 0.00 179.97 179.28 1jsa h GLN 46 N 0.00 -0.15 0.00 0.20 -0.00 -1.99 -3.29 115.11 109.87 1jsa h GLN 46 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1jsa h GLN 46 Cb 1.09 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.60 1jsa h GLN 46 CO 0.01 0.03 -0.03 1.49 0.00 0.00 0.00 178.83 180.33 1jsa h GLU 47 N -1.02 0.00 -0.95 1.69 4.81 -1.96 -2.63 114.58 114.52 1jsa h GLU 47 Ca -0.02 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.49 1jsa h GLU 47 Cb 0.25 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.48 1jsa h GLU 47 CO 0.03 0.03 0.41 0.35 -0.73 0.00 0.00 179.01 179.10 1jsa h PHE 48 N 0.00 0.65 0.00 0.92 3.04 -1.59 1.09 116.94 121.05 1jsa h PHE 48 Ca -0.00 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 1jsa h PHE 48 Cb 0.13 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1jsa h PHE 48 CO 0.00 -0.19 -0.37 0.37 -2.02 0.00 0.00 178.31 176.10 1jsa h GLN 49 N 0.27 0.00 0.07 1.11 4.15 -1.64 -3.22 115.11 115.85 1jsa h GLN 49 Ca 0.65 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1jsa h GLN 49 Cb 1.40 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1jsa h GLN 49 CO -0.63 0.37 -0.13 1.15 -1.93 0.00 0.00 178.83 177.66 1jsa h THR 50 N 0.00 0.00 -0.82 2.39 2.02 0.11 -2.47 112.91 114.14 1jsa h THR 50 Ca -0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1jsa h THR 50 Cb 0.67 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.96 1jsa h THR 50 CO 0.05 0.00 0.27 -0.29 0.37 0.00 0.00 175.52 175.92 1jsa h ILE 51 N -0.21 0.48 0.00 3.11 2.10 -1.63 0.78 117.51 122.15 1jsa h ILE 51 Ca -0.01 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1jsa h ILE 51 Cb 0.20 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.06 1jsa h ILE 51 CO -0.05 0.06 0.10 -1.22 -1.08 0.00 0.00 178.15 175.96 1jsa n TYR 52 N -5.12 0.00 0.00 2.19 4.02 -0.95 -3.41 117.16 113.89 1jsa n TYR 52 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1jsa n TYR 52 Cb 0.56 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1jsa n TYR 52 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1jsa n SER 53 N -1.35 0.00 0.20 7.72 7.64 0.27 -0.58 113.62 127.52 1jsa n SER 53 Ca 0.00 0.97 0.14 0.00 1.01 0.00 0.00 58.87 60.99 1jsa n SER 53 Cb 0.10 -0.47 0.70 0.00 -1.01 0.00 0.00 64.21 63.53 1jsa n SER 53 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1jsa h LYS 54 N 0.00 0.00 0.00 1.43 2.10 -1.79 -1.20 116.57 117.11 1jsa h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jsa h LYS 54 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jsa h LYS 54 CO 0.00 0.00 0.00 0.74 -2.00 0.00 0.00 179.45 178.19 1jsa h PHE 55 N 0.00 0.00 -0.18 0.07 -1.00 -1.03 -3.38 116.94 111.42 1jsa h PHE 55 Ca 0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 1jsa h PHE 55 Cb 0.07 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.46 1jsa h PHE 55 CO 0.00 0.00 -0.52 1.19 -1.61 0.00 0.00 178.31 177.37 1jsa n PHE 56 N -2.87 -2.73 0.27 -0.55 3.72 -0.50 -4.96 117.46 109.84 1jsa n PHE 56 Ca 0.04 -2.19 0.15 0.00 -0.05 0.00 0.00 57.45 55.40 1jsa n PHE 56 Cb 0.46 1.44 0.72 0.00 -0.94 0.00 0.00 39.48 41.16 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 3.25 0.00 0.00 -1.08 0.13 -1.62 -3.35 132.00 129.32 1jsa h PRO 57 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1jsa h PRO 57 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1jsa h PRO 57 CO 0.21 0.09 0.00 -0.85 -0.23 0.00 0.00 178.00 177.22 1jsa n GLU 58 N -3.32 0.00 0.00 0.86 0.28 -1.26 -4.92 120.64 112.27 1jsa n GLU 58 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1jsa n GLU 58 Cb 0.28 -0.64 0.00 0.00 1.43 0.00 0.00 31.44 32.51 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jsa n ALA 59 N -1.16 0.00 -3.70 -1.84 0.00 -1.26 -5.04 120.51 107.51 1jsa n ALA 59 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1jsa n ALA 59 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jsa s ASP 60 N -1.05 3.48 0.00 0.00 1.01 -1.24 -4.95 116.67 113.92 1jsa s ASP 60 Ca 0.00 -3.52 0.00 0.00 0.71 0.00 0.00 52.55 49.74 1jsa s ASP 60 Cb 0.00 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.77 1jsa s ASP 60 CO 0.00 -0.12 0.54 -0.81 0.21 0.00 0.00 175.17 174.98 1jsa n PRO 61 N 2.34 0.31 0.00 8.23 -0.04 -1.26 -4.33 135.00 140.25 1jsa n PRO 61 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1jsa n PRO 61 Cb 0.40 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1jsa n PRO 61 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jsa n LYS 62 N 1.58 0.00 0.27 0.54 4.81 -1.26 0.31 118.16 124.41 1jsa n LYS 62 Ca 0.00 0.79 0.10 0.00 -0.87 0.00 0.00 58.31 58.33 1jsa n LYS 62 Cb 0.15 -1.44 0.71 0.00 0.02 0.00 0.00 35.03 34.48 1jsa n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jsa h ALA 63 N -1.38 1.83 -0.07 3.14 0.00 -1.89 -1.08 119.26 119.81 1jsa h ALA 63 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1jsa h ALA 63 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jsa h ALA 63 CO 0.00 0.02 -0.66 -0.92 0.00 0.00 0.00 179.25 177.69 1jsa h TYR 64 N 0.00 0.35 0.00 0.00 5.03 -1.25 0.33 116.97 121.43 1jsa h TYR 64 Ca -0.00 -0.15 -0.11 0.00 2.58 0.00 0.00 58.73 61.05 1jsa h TYR 64 Cb 0.03 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 1jsa h TYR 64 CO 0.00 0.85 -0.55 0.00 -1.32 0.00 0.00 178.16 177.14 1jsa h ALA 65 N 1.12 0.75 0.00 1.82 0.00 0.61 -2.83 119.26 120.73 1jsa h ALA 65 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1jsa h ALA 65 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jsa h ALA 65 CO 0.10 0.68 -1.10 1.04 0.00 0.00 0.00 179.25 179.97 1jsa n GLN 66 N -3.39 0.61 -0.03 0.00 6.02 -0.76 -4.14 117.38 115.69 1jsa n GLN 66 Ca 0.01 0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 57.00 1jsa n GLN 66 Cb 0.68 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 30.01 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.00 0.00 1.08 3.86 -0.87 -2.96 115.15 116.26 1jsa h HIS 67 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1jsa h HIS 67 Cb 1.12 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1jsa h HIS 67 CO 0.00 0.68 0.23 0.28 0.86 0.00 0.00 177.93 179.98 1jsa n VAL 68 N -4.76 0.93 0.00 2.45 0.31 -1.07 -2.75 118.33 113.44 1jsa n VAL 68 Ca -0.09 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1jsa n VAL 68 Cb 0.34 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.21 0.00 -0.08 3.52 7.35 -1.12 -3.54 117.46 122.38 1jsa n PHE 69 Ca 0.00 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.93 1jsa n PHE 69 Cb 0.23 -0.07 0.54 0.00 0.35 0.00 0.00 39.48 40.53 1jsa n PHE 69 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jsa h ARG 70 N 0.00 0.00 -0.92 -4.13 2.43 -1.68 0.79 114.38 110.87 1jsa h ARG 70 Ca 0.00 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1jsa h ARG 70 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1jsa h ARG 70 CO 0.00 0.00 0.60 0.77 -1.51 0.00 0.00 179.97 179.83 1jsa h SER 71 N 0.00 0.47 -0.34 -3.80 0.02 -1.59 -3.15 113.55 105.16 1jsa h SER 71 Ca 0.36 0.05 -0.23 0.00 -0.84 0.00 0.00 61.79 61.13 1jsa h SER 71 Cb 2.22 -0.04 -0.33 0.00 0.14 0.00 0.00 62.40 64.39 1jsa h SER 71 CO -0.00 0.19 -0.89 0.33 -1.14 0.00 0.00 176.83 175.32 1jsa n PHE 72 N -4.55 0.30 -1.88 3.45 7.35 0.27 -4.45 117.46 117.95 1jsa n PHE 72 Ca 0.20 -2.06 0.00 0.00 -0.76 0.00 0.00 57.45 54.83 1jsa n PHE 72 Cb 0.67 0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.78 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 -0.82 0.00 -0.89 -2.13 2.03 -0.69 -4.81 116.55 109.25 1jsa n ASP 73 Ca 0.00 -1.67 0.10 0.00 0.52 0.00 0.00 54.79 53.75 1jsa n ASP 73 Cb 0.82 -0.13 0.27 0.00 -0.72 0.00 0.00 41.12 41.36 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 2.45 -0.50 -1.67 0.00 -1.25 -4.16 120.51 115.39 1jsa n ALA 74 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 53.44 52.60 1jsa n ALA 74 Cb 0.63 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 0.94 3.82 -3.30 0.00 0.23 -1.26 -4.70 115.26 110.98 1jsa n ASN 75 Ca 0.18 -2.09 -0.18 0.00 -0.53 0.00 0.00 54.58 51.96 1jsa n ASN 75 Cb 0.46 -0.89 0.01 0.00 -2.08 0.00 0.00 39.78 37.28 1jsa n ASN 75 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1jsa n SER 76 N 2.03 -6.54 0.00 0.53 2.88 -1.26 -4.91 113.62 106.34 1jsa n SER 76 Ca 0.12 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1jsa n SER 76 Cb 0.48 -3.54 0.00 0.00 -0.75 0.00 0.00 64.21 60.40 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1jsa n ASP 77 N -1.24 0.00 0.00 -3.46 2.03 -1.26 -5.01 116.55 107.61 1jsa n ASP 77 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1jsa n ASP 77 Cb 0.58 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.02 2.78 3.15 0.27 0.00 -1.26 -4.95 105.19 105.20 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 -2.25 0.18 -0.24 2.61 -4.23 -1.26 -4.66 115.64 105.78 1jsa s THR 79 Ca 0.00 -1.46 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1jsa s THR 79 Cb 0.00 -1.41 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1jsa s THR 79 CO 0.00 -0.81 0.08 -0.76 -0.54 0.00 0.00 174.62 172.59 1jsa s LEU 80 N -2.88 3.52 0.45 4.79 1.43 -1.06 -4.84 118.68 120.10 1jsa s LEU 80 Ca 0.06 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1jsa s LEU 80 Cb 0.06 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1jsa s LEU 80 CO -0.10 -0.01 0.73 1.51 0.23 0.00 0.00 176.35 178.71 1jsa s ASP 81 N 1.47 6.26 0.09 2.29 1.47 -1.26 -3.06 116.67 123.93 1jsa s ASP 81 Ca 0.06 0.81 -0.18 0.00 1.18 0.00 0.00 52.55 54.42 1jsa s ASP 81 Cb -0.15 -2.19 -0.05 0.00 -0.34 0.00 0.00 42.92 40.20 1jsa s ASP 81 CO 0.04 -0.52 1.31 0.15 0.68 0.00 0.00 175.17 176.83 1jsa h PHE 82 N 0.34 -1.05 -0.87 2.11 3.04 -1.97 1.41 116.94 119.95 1jsa h PHE 82 Ca -0.48 0.07 0.18 0.00 3.98 0.00 0.00 57.97 61.72 1jsa h PHE 82 Cb 1.21 0.52 -0.16 0.00 2.56 0.00 0.00 35.95 40.08 1jsa h PHE 82 CO 0.56 -0.23 -0.17 -0.22 -2.02 0.00 0.00 178.31 176.24 1jsa h LYS 83 N -0.06 0.01 -0.31 1.11 3.11 -1.97 0.66 116.57 119.13 1jsa h LYS 83 Ca 0.08 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.83 1jsa h LYS 83 Cb 0.26 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1jsa h LYS 83 CO -0.48 0.01 -0.13 0.93 -2.81 0.00 0.00 179.45 176.96 1jsa h GLU 84 N 0.01 0.64 0.00 1.90 5.08 -1.07 -2.80 114.58 118.34 1jsa h GLU 84 Ca 0.43 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1jsa h GLU 84 Cb 0.71 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1jsa h GLU 84 CO -0.87 0.85 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.07 1jsa h TYR 85 N 0.40 0.00 -0.58 4.33 3.20 0.53 -1.01 116.97 123.83 1jsa h TYR 85 Ca 0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1jsa h TYR 85 Cb 0.65 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1jsa h TYR 85 CO 0.06 0.00 0.22 0.28 -1.64 0.00 0.00 178.16 177.08 1jsa h VAL 86 N 0.00 1.21 0.36 1.81 2.07 0.39 -0.05 116.25 122.04 1jsa h VAL 86 Ca -0.00 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1jsa h VAL 86 Cb 0.00 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jsa h VAL 86 CO 0.00 0.27 -0.17 0.40 0.02 0.00 0.00 177.57 178.09 1jsa h ILE 87 N 0.84 0.60 0.98 4.57 1.08 -1.19 -1.74 117.51 122.65 1jsa h ILE 87 Ca 0.20 -0.57 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1jsa h ILE 87 Cb 0.19 0.86 0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1jsa h ILE 87 CO -0.02 0.10 -0.48 0.00 -0.69 0.00 0.00 178.15 177.06 1jsa h ALA 88 N -0.36 -1.33 -0.18 1.87 0.00 -1.38 0.54 119.26 118.42 1jsa h ALA 88 Ca -0.05 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1jsa h ALA 88 Cb 0.53 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1jsa h ALA 88 CO 0.08 -1.25 -0.49 1.25 0.00 0.00 0.00 179.25 178.84 1jsa h LEU 89 N -1.33 -1.57 0.26 0.00 7.12 -1.11 -0.39 115.31 118.29 1jsa h LEU 89 Ca -0.13 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1jsa h LEU 89 Cb 1.02 0.63 0.00 0.00 -0.53 0.00 0.00 40.66 41.78 1jsa h LEU 89 CO 0.22 -0.45 -0.13 -0.74 -0.13 0.00 0.00 178.44 177.21 1jsa h HIS 90 N -0.52 -0.33 0.00 1.25 2.76 -1.32 -2.20 115.15 114.80 1jsa h HIS 90 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1jsa h HIS 90 Cb 0.65 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1jsa h HIS 90 CO -0.57 -0.09 0.24 -0.12 -1.30 0.00 0.00 177.93 176.10 1jsa n MET 91 N -5.17 0.09 -0.35 5.26 0.00 0.19 -1.82 117.12 115.32 1jsa n MET 91 Ca -0.10 0.57 0.29 0.00 -0.00 0.00 0.00 57.70 58.46 1jsa n MET 91 Cb 0.21 -2.05 0.59 0.00 0.00 0.00 0.00 33.22 31.98 1jsa n MET 91 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1jsa h THR 92 N 0.00 0.42 0.00 1.12 2.02 -0.40 -3.26 112.91 112.80 1jsa h THR 92 Ca 0.00 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 66.95 1jsa h THR 92 Cb 0.49 0.16 -0.12 0.00 -1.74 0.00 0.00 68.15 66.93 1jsa h THR 92 CO 0.00 0.04 -0.22 -1.54 0.37 0.00 0.00 175.52 174.18 1jsa n SER 93 N -4.52 -1.27 -4.64 4.18 3.41 -0.76 -4.96 113.62 105.07 1jsa n SER 93 Ca 0.28 -2.03 -0.38 0.00 -0.26 0.00 0.00 58.87 56.48 1jsa n SER 93 Cb 1.08 0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 65.56 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa s ALA 94 N 0.11 3.57 0.00 7.33 0.00 -1.04 -4.92 121.76 126.81 1jsa s ALA 94 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1jsa s ALA 94 Cb 0.36 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1jsa s ALA 94 CO -0.10 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1jsa n GLY 95 N 4.36 -0.53 1.99 0.00 0.00 -1.26 -4.92 105.19 104.83 1jsa n GLY 95 Ca -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1jsa n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jsa n LYS 96 N 0.00 0.00 -0.60 1.61 2.85 -1.26 -5.01 118.16 115.75 1jsa n LYS 96 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1jsa n LYS 96 Cb 0.00 -0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1jsa n LYS 96 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1jsa n THR 97 N -2.49 0.00 0.00 0.58 5.66 -1.26 -5.12 114.28 111.64 1jsa n THR 97 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jsa n THR 97 Cb 0.00 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 1jsa n THR 97 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jsa n ASN 98 N 0.00 0.00 -4.56 1.09 4.05 -1.26 -4.83 115.26 109.75 1jsa n ASN 98 Ca -0.10 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.57 1jsa n ASN 98 Cb 0.43 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.40 1jsa n ASN 98 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1jsa s GLN 99 N 0.98 2.99 0.00 1.20 1.11 -1.26 -4.23 119.66 120.45 1jsa s GLN 99 Ca 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 55.36 55.05 1jsa s GLN 99 Cb 0.00 -4.83 0.00 0.00 -1.01 0.00 0.00 33.01 27.17 1jsa s GLN 99 CO 0.00 -2.66 0.09 0.36 0.01 0.00 0.00 175.29 173.09 1jsa n LYS 100 N 9.04 0.00 -0.00 2.91 2.85 -1.26 -4.72 118.16 126.98 1jsa n LYS 100 Ca 0.26 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.52 1jsa n LYS 100 Cb 0.50 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1jsa h LEU 101 N 0.00 -0.01 -1.34 -5.58 3.38 -1.94 -3.17 115.31 106.65 1jsa h LEU 101 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1jsa h LEU 101 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1jsa h LEU 101 CO 0.00 0.09 0.95 -0.33 0.09 0.00 0.00 178.44 179.25 1jsa h GLU 102 N -0.22 0.00 -0.07 1.13 5.08 -1.95 1.40 114.58 119.95 1jsa h GLU 102 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1jsa h GLU 102 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jsa h GLU 102 CO 0.00 0.00 -0.73 -1.49 -1.00 0.00 0.00 179.01 175.79 1jsa h TRP 103 N 0.00 0.50 -0.55 4.33 6.55 -1.95 -3.19 115.95 121.64 1jsa h TRP 103 Ca 0.38 -0.22 -0.10 0.00 0.95 0.00 0.00 58.89 59.90 1jsa h TRP 103 Cb 2.28 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 30.49 1jsa h TRP 103 CO 0.00 0.97 -0.04 0.00 -1.05 0.00 0.00 178.44 178.33 1jsa h ALA 104 N 0.96 0.89 0.00 1.49 0.00 0.19 -2.58 119.26 120.22 1jsa h ALA 104 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jsa h ALA 104 Cb 1.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1jsa h ALA 104 CO 0.12 0.65 0.75 0.35 0.00 0.00 0.00 179.25 181.12 1jsa h PHE 105 N 0.89 0.00 0.00 0.00 3.57 -1.50 0.26 116.94 120.16 1jsa h PHE 105 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1jsa h PHE 105 Cb 0.57 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1jsa h PHE 105 CO 0.04 0.00 -0.15 0.77 -2.23 0.00 0.00 178.31 176.73 1jsa h SER 106 N 0.00 0.00 0.38 0.41 0.02 -1.63 -2.96 113.55 109.77 1jsa h SER 106 Ca 0.00 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1jsa h SER 106 Cb 1.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1jsa h SER 106 CO 0.00 0.76 -0.21 0.25 -1.14 0.00 0.00 176.83 176.49 1jsa h LEU 107 N -1.00 -0.51 -2.24 5.07 7.12 -0.67 -0.32 115.31 122.75 1jsa h LEU 107 Ca -0.03 0.03 0.02 0.00 0.13 0.00 0.00 57.88 58.03 1jsa h LEU 107 Cb 0.46 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1jsa h LEU 107 CO -0.02 -0.34 0.25 1.88 -0.13 0.00 0.00 178.44 180.08 1jsa h TYR 108 N -0.55 0.00 -2.66 1.25 0.05 -1.38 -2.87 116.97 110.82 1jsa h TYR 108 Ca -0.05 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.05 1jsa h TYR 108 Cb 0.44 0.00 -0.36 0.00 1.01 0.00 0.00 36.73 37.82 1jsa h TYR 108 CO -0.07 0.00 -0.06 -3.47 -1.05 0.00 0.00 178.16 173.51 1jsa n ASP 109 N -3.17 4.67 -0.27 3.88 2.03 -0.13 -4.48 116.55 119.07 1jsa n ASP 109 Ca -0.01 -3.37 -0.07 0.00 0.52 0.00 0.00 54.79 51.86 1jsa n ASP 109 Cb 0.33 -0.93 -0.06 0.00 -0.72 0.00 0.00 41.12 39.73 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1jsa n VAL 110 N 1.30 -0.44 -0.32 5.18 0.31 -1.08 0.11 118.33 123.38 1jsa n VAL 110 Ca 0.27 1.97 0.22 0.00 -0.01 0.00 0.00 64.34 66.78 1jsa n VAL 110 Cb 0.38 -2.47 0.44 0.00 -0.91 0.00 0.00 33.84 31.28 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 0.31 -3.22 4.52 2.03 -1.91 -3.44 116.42 114.72 1jsa h ASP 111 Ca 0.10 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 1jsa h ASP 111 Cb 0.27 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1jsa h ASP 111 CO -0.61 -0.20 -0.03 0.61 -1.03 0.00 0.00 179.24 177.99 1jsa n GLY 112 N -1.32 -0.61 0.00 7.15 0.00 0.30 -5.09 105.19 105.63 1jsa n GLY 112 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.71 0.00 0.00 1.61 0.23 -1.26 -5.06 115.26 110.07 1jsa n ASN 113 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1jsa n ASN 113 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N 2.30 -0.00 3.24 4.83 0.00 -1.26 -5.07 105.19 109.24 1jsa n GLY 114 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.03 -0.01 0.15 2.61 -4.23 -1.26 -3.84 115.64 109.03 1jsa s THR 115 Ca 0.00 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.40 1jsa s THR 115 Cb 0.00 -0.53 -0.07 0.00 1.34 0.00 0.00 72.50 73.24 1jsa s THR 115 CO 0.00 0.02 0.55 -0.63 -0.54 0.00 0.00 174.62 174.02 1jsa s ILE 116 N 0.62 4.85 0.29 2.99 1.01 0.31 -4.87 121.20 126.39 1jsa s ILE 116 Ca -0.03 0.84 0.11 0.00 0.00 0.00 0.00 60.65 61.56 1jsa s ILE 116 Cb -0.05 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1jsa s ILE 116 CO -0.04 0.25 -0.16 -0.44 0.00 0.00 0.00 174.94 174.55 1jsa s SER 117 N -1.71 3.47 0.55 3.58 0.01 -1.26 -2.03 113.70 116.32 1jsa s SER 117 Ca 0.38 -1.09 0.26 0.00 1.31 0.00 0.00 55.95 56.81 1jsa s SER 117 Cb -0.15 -0.29 1.59 0.00 0.21 0.00 0.00 66.02 67.38 1jsa s SER 117 CO 0.19 -0.08 2.17 0.50 0.41 0.00 0.00 173.24 176.44 1jsa h LYS 118 N 2.23 0.00 0.04 12.44 3.64 -1.94 -2.57 116.57 130.41 1jsa h LYS 118 Ca -0.40 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1jsa h LYS 118 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1jsa h LYS 118 CO 0.64 0.05 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.93 1jsa h ASN 119 N 0.00 -0.05 -0.29 4.20 -0.26 -2.00 -2.42 115.58 114.76 1jsa h ASN 119 Ca -0.00 -0.42 0.04 0.00 -0.56 0.00 0.00 56.30 55.35 1jsa h ASN 119 Cb 0.11 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.35 1jsa h ASN 119 CO 0.01 0.41 0.08 -0.33 -1.06 0.00 0.00 177.43 176.54 1jsa h GLU 120 N -0.52 0.20 -0.85 0.81 5.08 -1.85 -1.87 114.58 115.59 1jsa h GLU 120 Ca -0.01 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1jsa h GLU 120 Cb 0.47 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1jsa h GLU 120 CO 0.01 0.13 0.48 0.28 -1.00 0.00 0.00 179.01 178.91 1jsa h VAL 121 N 0.20 0.87 -0.91 3.13 2.07 -1.49 0.22 116.25 120.34 1jsa h VAL 121 Ca 0.13 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.51 1jsa h VAL 121 Cb 0.12 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 29.84 1jsa h VAL 121 CO -0.15 0.14 0.59 -0.07 0.02 0.00 0.00 177.57 178.09 1jsa h LEU 122 N 0.78 0.76 0.71 2.57 3.38 -0.82 0.37 115.31 123.06 1jsa h LEU 122 Ca 0.42 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1jsa h LEU 122 Cb 0.44 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1jsa h LEU 122 CO -0.27 0.40 -0.34 -0.33 0.09 0.00 0.00 178.44 177.99 1jsa h GLU 123 N 0.81 -0.92 -0.91 1.13 4.39 -0.72 0.83 114.58 119.19 1jsa h GLU 123 Ca 0.45 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.41 1jsa h GLU 123 Cb 0.58 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 29.32 1jsa h GLU 123 CO -0.21 -0.62 0.47 0.82 -1.16 0.00 0.00 179.01 178.31 1jsa h ILE 124 N -1.10 0.58 0.00 3.13 5.03 -1.17 0.40 117.51 124.40 1jsa h ILE 124 Ca -0.10 -0.18 -0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1jsa h ILE 124 Cb 0.73 -0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1jsa h ILE 124 CO 0.16 0.10 -0.00 0.58 -0.68 0.00 0.00 178.15 178.31 1jsa h VAL 125 N 0.54 1.30 -0.23 1.67 2.07 -0.75 -2.31 116.25 118.53 1jsa h VAL 125 Ca 0.55 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1jsa h VAL 125 Cb 0.95 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1jsa h VAL 125 CO -0.45 0.23 -0.03 0.74 0.02 0.00 0.00 177.57 178.07 1jsa h THR 126 N -0.37 0.79 -0.24 2.57 2.02 0.23 -2.01 112.91 115.90 1jsa h THR 126 Ca -0.00 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1jsa h THR 126 Cb 0.37 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1jsa h THR 126 CO 0.00 0.01 -0.32 0.00 0.37 0.00 0.00 175.52 175.57 1jsa h ALA 127 N 1.22 -0.30 -0.96 6.16 0.00 -0.25 0.16 119.26 125.29 1jsa h ALA 127 Ca 0.11 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.31 1jsa h ALA 127 Cb 0.16 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1jsa h ALA 127 CO -0.22 -0.77 0.52 0.82 0.00 0.00 0.00 179.25 179.61 1jsa h ILE 128 N -0.33 0.53 -0.76 0.00 2.04 -0.84 1.13 117.51 119.28 1jsa h ILE 128 Ca 0.13 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1jsa h ILE 128 Cb 0.54 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1jsa h ILE 128 CO -0.43 0.10 0.51 0.15 0.00 0.00 0.00 178.15 178.47 1jsa h PHE 129 N 0.53 0.51 -0.24 1.37 3.57 0.01 0.34 116.94 123.03 1jsa h PHE 129 Ca 0.61 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 62.00 1jsa h PHE 129 Cb 1.14 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1jsa h PHE 129 CO -0.05 0.20 -0.38 0.87 -2.23 0.00 0.00 178.31 176.71 1jsa h LYS 130 N 0.44 0.55 0.00 1.11 1.79 0.17 -1.80 116.57 118.83 1jsa h LYS 130 Ca 0.37 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1jsa h LYS 130 Cb 0.82 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1jsa h LYS 130 CO -0.12 0.85 0.00 0.52 -1.08 0.00 0.00 179.45 179.61 1jsa h MET 131 N 0.46 0.00 -4.89 3.15 2.86 0.15 -3.28 114.93 113.37 1jsa h MET 131 Ca 0.04 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.03 1jsa h MET 131 Cb 0.87 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.32 1jsa h MET 131 CO 0.07 0.00 -0.57 0.42 1.06 0.00 0.00 176.91 177.89 1jsa s ILE 132 N -3.60 4.73 0.65 -1.22 1.01 -0.65 -4.54 121.20 117.59 1jsa s ILE 132 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 1jsa s ILE 132 Cb 0.09 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1jsa s ILE 132 CO 0.43 0.24 1.06 -0.94 0.00 0.00 0.00 174.94 175.73 1jsa s SER 133 N 1.67 5.53 0.06 3.58 1.04 -1.26 -4.66 113.70 119.67 1jsa s SER 133 Ca 0.06 1.71 -0.22 0.00 0.48 0.00 0.00 55.95 57.98 1jsa s SER 133 Cb -0.16 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.35 1jsa s SER 133 CO 0.07 -1.34 1.35 -0.65 0.98 0.00 0.00 173.24 173.65 1jsa h PRO 134 N -0.21 -0.48 -1.04 4.02 0.11 -1.95 2.11 132.00 134.55 1jsa h PRO 134 Ca -0.45 0.03 0.30 0.00 0.11 0.00 0.00 66.00 65.99 1jsa h PRO 134 Cb 1.21 0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1jsa h PRO 134 CO 0.57 -0.32 1.00 1.49 -0.21 0.00 0.00 178.00 180.53 1jsa h GLU 135 N -0.50 0.00 0.02 1.05 4.57 -2.02 0.88 114.58 118.58 1jsa h GLU 135 Ca -0.01 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.83 1jsa h GLU 135 Cb 0.49 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1jsa h GLU 135 CO -0.16 0.00 -2.07 -3.47 -1.18 0.00 0.00 179.01 172.12 1jsa n ASP 136 N -3.61 1.01 0.16 1.04 -0.08 0.37 -4.00 116.55 111.44 1jsa n ASP 136 Ca 0.23 0.18 0.08 0.00 -1.51 0.00 0.00 54.79 53.77 1jsa n ASP 136 Cb 1.33 0.05 0.45 0.00 2.34 0.00 0.00 41.12 45.29 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1jsa n THR 137 N -3.07 0.78 0.07 5.18 -1.04 0.69 0.91 114.28 117.80 1jsa n THR 137 Ca -0.29 0.74 0.07 0.00 -2.04 0.00 0.00 64.05 62.54 1jsa n THR 137 Cb 1.07 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.80 1jsa n THR 137 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 138 N -2.13 0.61 -0.04 -2.82 4.76 -1.02 -4.15 118.16 113.37 1jsa n LYS 138 Ca -0.01 0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1jsa n LYS 138 Cb 0.21 -1.80 -0.08 0.00 -1.84 0.00 0.00 35.03 31.51 1jsa n LYS 138 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jsa h HIS 139 N 0.00 0.34 -2.34 2.13 3.86 0.36 -3.45 115.15 116.04 1jsa h HIS 139 Ca -0.07 -0.11 -0.58 0.00 -1.16 0.00 0.00 60.37 58.46 1jsa h HIS 139 Cb 1.23 -0.07 0.20 0.00 1.06 0.00 0.00 27.41 29.83 1jsa h HIS 139 CO 0.00 0.73 -1.10 1.47 0.86 0.00 0.00 177.93 179.88 1jsa n LEU 140 N -4.60 -2.92 -4.58 2.43 -0.00 -1.14 -4.75 117.00 101.44 1jsa n LEU 140 Ca -0.07 0.53 -0.46 0.00 -0.00 0.00 0.00 56.01 56.01 1jsa n LEU 140 Cb 0.36 -0.93 -0.02 0.00 -0.00 0.00 0.00 43.42 42.82 1jsa n LEU 140 CO 0.38 -4.60 0.59 -2.65 -0.00 0.00 0.00 177.39 171.12 1jsa n PRO 141 N 1.12 1.24 -2.31 1.47 -0.02 -1.26 -4.85 135.00 130.38 1jsa n PRO 141 Ca 0.06 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1jsa n PRO 141 Cb 0.50 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jsa s GLU 142 N -1.15 3.53 0.00 -0.52 0.41 -1.26 -3.74 118.70 115.96 1jsa s GLU 142 Ca 0.63 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 1jsa s GLU 142 Cb -0.76 -4.05 0.00 0.00 -1.78 0.00 0.00 34.13 27.54 1jsa s GLU 142 CO 0.57 -1.63 0.00 -0.25 -0.49 0.00 0.00 175.26 173.47 1jsa n ASP 143 N 9.04 0.00 -2.57 -0.19 8.00 -1.26 -4.99 116.55 124.58 1jsa n ASP 143 Ca 0.17 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.52 1jsa n ASP 143 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jsa n GLU 144 N 0.00 2.15 0.00 -1.24 4.71 -1.25 -4.80 120.64 120.22 1jsa n GLU 144 Ca 0.00 -3.77 0.02 0.00 -0.01 0.00 0.00 57.16 53.40 1jsa n GLU 144 Cb 0.00 -1.69 0.09 0.00 -1.01 0.00 0.00 31.44 28.83 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1jsa n ASN 145 N -0.30 0.00 -3.65 1.62 6.94 -1.26 -4.67 115.26 113.94 1jsa n ASN 145 Ca 0.21 -0.18 -0.11 0.00 -0.02 0.00 0.00 54.58 54.49 1jsa n ASN 145 Cb 0.77 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 38.15 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 -2.00 0.07 0.07 5.53 -4.23 -1.26 -5.03 115.64 108.79 1jsa s THR 146 Ca 0.05 -0.60 -0.37 0.00 -1.18 0.00 0.00 61.69 59.58 1jsa s THR 146 Cb 0.02 -1.16 -0.20 0.00 1.34 0.00 0.00 72.50 72.51 1jsa s THR 146 CO 0.03 -0.33 1.57 1.55 -0.54 0.00 0.00 174.62 176.90 1jsa h PRO 147 N 2.45 -1.21 -0.06 3.99 0.13 -1.91 -0.88 132.00 134.50 1jsa h PRO 147 Ca -0.34 0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1jsa h PRO 147 Cb 1.25 0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.65 1jsa h PRO 147 CO 0.47 -0.81 0.27 1.05 -0.23 0.00 0.00 178.00 178.76 1jsa h GLU 148 N -1.26 0.00 0.04 0.86 4.11 -1.97 0.22 114.58 116.59 1jsa h GLU 148 Ca -0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.05 1jsa h GLU 148 Cb 1.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.26 1jsa h GLU 148 CO 0.14 0.00 -1.07 -0.22 0.07 0.00 0.00 179.01 177.92 1jsa h LYS 149 N 0.00 0.53 0.13 1.06 1.63 -1.57 -3.26 116.57 115.09 1jsa h LYS 149 Ca 0.03 -0.63 -0.23 0.00 -0.85 0.00 0.00 60.65 58.98 1jsa h LYS 149 Cb 0.58 0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1jsa h LYS 149 CO -0.00 1.24 -1.08 -0.09 -3.45 0.00 0.00 179.45 176.08 1jsa h ARG 150 N 0.27 0.28 -0.38 1.90 2.43 0.50 -3.19 114.38 116.19 1jsa h ARG 150 Ca -0.13 -0.48 0.11 0.00 -0.81 0.00 0.00 59.98 58.68 1jsa h ARG 150 Cb 1.73 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.44 1jsa h ARG 150 CO 0.20 1.23 0.72 0.00 -1.51 0.00 0.00 179.97 180.60 1jsa h ALA 151 N 0.02 2.11 0.03 2.80 0.00 -1.00 2.68 119.26 125.89 1jsa h ALA 151 Ca -0.21 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1jsa h ALA 151 Cb 1.70 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1jsa h ALA 151 CO 0.11 -0.91 -1.04 1.49 0.00 0.00 0.00 179.25 178.90 1jsa h GLU 152 N 0.00 0.06 0.12 0.00 4.22 -1.59 -2.08 114.58 115.31 1jsa h GLU 152 Ca 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 1jsa h GLU 152 Cb 1.61 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1jsa h GLU 152 CO -0.00 1.03 -0.06 -0.22 -2.18 0.00 0.00 179.01 177.58 1jsa h LYS 153 N 0.02 -0.16 0.11 1.92 1.63 0.47 0.61 116.57 121.17 1jsa h LYS 153 Ca -0.04 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1jsa h LYS 153 Cb 1.79 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 1jsa h LYS 153 CO 0.14 0.23 -0.05 0.82 -3.45 0.00 0.00 179.45 177.14 1jsa h ILE 154 N -0.60 0.00 -1.00 2.00 2.04 -1.51 -2.13 117.51 116.31 1jsa h ILE 154 Ca -0.02 -0.05 0.28 0.00 1.00 0.00 0.00 64.86 66.08 1jsa h ILE 154 Cb 0.47 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1jsa h ILE 154 CO 0.03 0.00 0.71 -0.25 0.00 0.00 0.00 178.15 178.64 1jsa h TRP 155 N -0.20 0.10 -0.07 1.37 2.91 -1.53 0.91 115.95 119.45 1jsa h TRP 155 Ca -0.02 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.94 1jsa h TRP 155 Cb 0.11 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1jsa h TRP 155 CO 0.13 0.01 -0.29 0.78 -1.03 0.00 0.00 178.44 178.05 1jsa h GLY 156 N 0.06 0.13 2.00 2.65 0.00 -0.76 -2.03 103.07 105.12 1jsa h GLY 156 Ca 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1jsa h GLY 156 CO -0.05 0.09 -0.09 -2.75 0.00 0.00 0.00 176.54 173.74 1jsa h PHE 157 N 0.11 0.00 0.00 5.60 3.04 0.16 -3.24 116.94 122.60 1jsa h PHE 157 Ca 0.02 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1jsa h PHE 157 Cb 0.58 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1jsa h PHE 157 CO 0.00 0.09 -0.63 0.74 -2.02 0.00 0.00 178.31 176.50 1jsa h PHE 158 N 0.00 0.00 0.00 0.41 0.04 -1.35 -3.49 116.94 112.55 1jsa h PHE 158 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jsa h PHE 158 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1jsa h PHE 158 CO 0.00 0.61 0.00 0.41 -0.60 0.00 0.00 178.31 178.73 1jsa n GLY 159 N 1.58 3.13 3.45 -1.45 0.00 -0.98 -5.06 105.19 105.86 1jsa n GLY 159 Ca -0.15 -0.99 -0.60 0.00 0.00 0.00 0.00 46.02 44.29 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.95 118.16 118.58 1jsa n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jsa n LYS 160 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1jsa n LYS 161 N 2.19 3.84 0.44 1.97 4.81 -1.24 -4.90 118.16 125.27 1jsa n LYS 161 Ca 0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.49 1jsa n LYS 161 Cb 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.00 1jsa n LYS 161 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1jsa h ASP 162 N 0.00 -0.96 0.00 3.14 3.04 -2.03 -2.37 116.42 117.23 1jsa h ASP 162 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1jsa h ASP 162 Cb 0.00 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1jsa h ASP 162 CO 0.00 -0.65 0.00 -0.90 -2.04 0.00 0.00 179.24 175.65 1jsa n ASP 163 N -5.23 2.88 -3.15 4.15 5.75 -1.26 -4.29 116.55 115.40 1jsa n ASP 163 Ca -0.14 -1.72 0.04 0.00 -0.01 0.00 0.00 54.79 52.96 1jsa n ASP 163 Cb 0.45 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.86 -1.44 -0.09 -1.12 1.01 -0.89 -5.15 116.67 110.85 1jsa s ASP 164 Ca 0.00 0.38 -0.06 0.00 0.71 0.00 0.00 52.55 53.58 1jsa s ASP 164 Cb 0.00 2.00 -0.04 0.00 1.01 0.00 0.00 42.92 45.89 1jsa s ASP 164 CO 0.00 -0.27 0.15 -0.54 0.21 0.00 0.00 175.17 174.72 1jsa s LYS 165 N 2.85 3.42 0.07 8.23 1.02 -1.26 -3.68 119.74 130.39 1jsa s LYS 165 Ca 0.14 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1jsa s LYS 165 Cb -0.11 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1jsa s LYS 165 CO -0.24 0.75 1.05 -1.17 -0.92 0.00 0.00 175.35 174.81 1jsa s LEU 166 N -1.29 4.42 0.28 3.17 2.96 -0.86 -4.79 118.68 122.57 1jsa s LEU 166 Ca 0.18 1.84 0.04 0.00 -0.22 0.00 0.00 54.13 55.97 1jsa s LEU 166 Cb -0.12 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1jsa s LEU 166 CO 0.08 -0.26 0.43 0.42 -1.32 0.00 0.00 176.35 175.70 1jsa s THR 167 N 0.61 5.17 0.39 3.68 -4.23 -1.26 0.11 115.64 120.11 1jsa s THR 167 Ca 0.52 -0.82 0.31 0.00 -1.18 0.00 0.00 61.69 60.52 1jsa s THR 167 Cb -0.25 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.07 1jsa s THR 167 CO 0.30 -0.40 2.09 1.05 -0.54 0.00 0.00 174.62 177.12 1jsa h GLU 168 N 1.02 0.00 -0.46 3.99 4.11 -1.97 -1.52 114.58 119.76 1jsa h GLU 168 Ca -0.51 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.96 1jsa h GLU 168 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1jsa h GLU 168 CO 0.61 0.09 0.22 0.87 0.07 0.00 0.00 179.01 180.86 1jsa h LYS 169 N 0.00 0.42 0.03 1.06 1.57 -1.94 -2.99 116.57 114.73 1jsa h LYS 169 Ca -0.00 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 1jsa h LYS 169 Cb 0.33 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1jsa h LYS 169 CO 0.01 0.28 -1.71 1.49 -0.57 0.00 0.00 179.45 178.95 1jsa h GLU 170 N 0.43 0.06 -0.18 3.15 4.81 -1.92 -3.31 114.58 117.62 1jsa h GLU 170 Ca 0.20 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1jsa h GLU 170 Cb 0.13 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1jsa h GLU 170 CO -0.16 0.68 0.78 0.35 -0.73 0.00 0.00 179.01 179.93 1jsa h PHE 171 N 0.02 0.00 0.07 0.92 3.57 -1.13 2.69 116.94 123.07 1jsa h PHE 171 Ca -0.29 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.88 1jsa h PHE 171 Cb 2.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.71 1jsa h PHE 171 CO 0.02 0.00 -1.88 -0.89 -2.23 0.00 0.00 178.31 173.33 1jsa n ILE 172 N -2.83 1.70 -0.10 1.41 5.41 -1.18 -4.08 119.36 119.70 1jsa n ILE 172 Ca 0.03 -0.72 -0.20 0.00 1.00 0.00 0.00 62.75 62.87 1jsa n ILE 172 Cb 0.85 -1.41 -0.11 0.00 -0.71 0.00 0.00 39.64 38.26 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 0.04 0.00 0.00 0.38 5.08 0.38 -2.29 114.58 118.17 1jsa h GLU 173 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1jsa h GLU 173 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1jsa h GLU 173 CO 0.08 0.93 0.71 0.78 -1.00 0.00 0.00 179.01 180.51 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 0.21 1.44 103.07 99.89 1jsa h GLY 174 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.74 1jsa h GLY 174 CO -0.17 0.00 -2.19 2.41 0.00 0.00 0.00 176.54 176.59 1jsa n THR 175 N -2.53 1.19 0.08 4.70 -1.04 -1.25 -3.48 114.28 111.96 1jsa n THR 175 Ca -0.01 -0.73 0.02 0.00 -2.04 0.00 0.00 64.05 61.30 1jsa n THR 175 Cb 0.72 -0.57 0.37 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.31 0.00 -4.42 5.85 0.25 -3.33 115.31 113.98 1jsa h LEU 176 Ca -0.47 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1jsa h LEU 176 Cb 2.06 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1jsa h LEU 176 CO 0.02 0.42 -0.16 0.00 -0.34 0.00 0.00 178.44 178.39 1jsa h ALA 177 N 1.62 0.00 -2.17 1.25 0.00 -1.41 -3.46 119.26 115.08 1jsa h ALA 177 Ca 0.07 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.08 1jsa h ALA 177 Cb 0.33 0.16 0.06 0.00 0.00 0.00 0.00 17.79 18.34 1jsa h ALA 177 CO 0.02 0.16 0.73 0.09 0.00 0.00 0.00 179.25 180.25 1jsa n ASN 178 N -3.13 2.83 0.01 0.00 3.02 -1.23 -4.89 115.26 111.87 1jsa n ASN 178 Ca -0.02 1.09 -0.21 0.00 -0.03 0.00 0.00 54.58 55.41 1jsa n ASN 178 Cb 0.08 -1.38 -0.14 0.00 -0.61 0.00 0.00 39.78 37.73 1jsa n ASN 178 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jsa n LYS 179 N 3.24 0.76 0.00 3.52 5.02 -1.26 -3.92 118.16 125.52 1jsa n LYS 179 Ca 0.17 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1jsa n LYS 179 Cb 0.27 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.47 0.00 -0.04 1.97 -0.58 -1.26 -2.71 120.64 114.55 1jsa n GLU 180 Ca -0.31 0.32 -0.02 0.00 -0.42 0.00 0.00 57.16 56.73 1jsa n GLU 180 Cb 1.05 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 30.36 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1jsa h ILE 181 N 0.00 0.00 -0.01 -3.67 2.04 -1.90 -2.96 117.51 111.01 1jsa h ILE 181 Ca 0.00 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1jsa h ILE 181 Cb 0.10 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1jsa h ILE 181 CO 0.00 0.00 0.45 0.17 0.00 0.00 0.00 178.15 178.77 1jsa h LEU 182 N -0.51 0.00 0.07 1.44 8.10 -1.69 1.28 115.31 124.00 1jsa h LEU 182 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 1jsa h LEU 182 Cb 0.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1jsa h LEU 182 CO 0.00 0.00 -1.28 0.03 -4.11 0.00 0.00 178.44 173.08 1jsa h ARG 183 N 0.00 0.14 0.10 0.17 2.47 -1.67 -3.39 114.38 112.21 1jsa h ARG 183 Ca 0.00 -0.24 -0.25 0.00 -1.26 0.00 0.00 59.98 58.24 1jsa h ARG 183 Cb 0.90 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1jsa h ARG 183 CO -0.00 1.11 -1.25 1.25 0.56 0.00 0.00 179.97 181.64 1jsa h LEU 184 N -0.57 0.35 -0.47 3.04 6.46 -0.84 -3.31 115.31 119.97 1jsa h LEU 184 Ca -0.30 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 56.61 1jsa h LEU 184 Cb 1.56 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1jsa h LEU 184 CO -0.04 1.55 0.74 -0.29 -0.62 0.00 0.00 178.44 179.78 1jsa h ILE 185 N -0.40 0.00 -0.18 4.05 2.10 0.13 -3.40 117.51 119.82 1jsa h ILE 185 Ca -0.27 0.00 -0.40 0.00 1.08 0.00 0.00 64.86 65.27 1jsa h ILE 185 Cb 1.67 0.16 -0.08 0.00 -1.09 0.00 0.00 36.82 37.48 1jsa h ILE 185 CO 0.05 0.00 1.70 0.00 -1.08 0.00 0.00 178.15 178.82 1jsa n GLN 186 N -2.34 0.15 -0.67 2.19 6.02 -1.25 -4.69 117.38 116.79 1jsa n GLN 186 Ca -0.00 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.78 1jsa n GLN 186 Cb 0.75 -1.68 0.07 0.00 1.02 0.00 0.00 30.24 30.39 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1jsa n PHE 187 N 9.79 1.45 0.44 1.08 -1.74 -1.26 -5.14 117.46 122.08 1jsa n PHE 187 Ca 0.62 -1.39 0.05 0.00 -0.56 0.00 0.00 57.45 56.18 1jsa n PHE 187 Cb 0.16 -0.69 0.04 0.00 1.52 0.00 0.00 39.48 40.51 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59