#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 -0.19 -0.09 1.61 4.22 -1.26 -5.12 114.94 114.11 1jsa s ASN 2 Ca 0.00 0.34 -0.30 0.00 -2.14 0.00 0.00 52.86 50.76 1jsa s ASN 2 Cb 0.00 0.41 -0.04 0.00 1.28 0.00 0.00 41.25 42.90 1jsa s ASN 2 CO 0.00 -0.14 1.46 -0.44 -2.04 0.00 0.00 177.10 175.94 1jsa s SER 3 N -0.16 6.81 0.24 3.54 0.01 -1.26 -5.00 113.70 117.88 1jsa s SER 3 Ca -0.03 2.00 -0.00 0.00 1.31 0.00 0.00 55.95 59.23 1jsa s SER 3 Cb -0.03 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1jsa s SER 3 CO 0.01 -0.83 0.43 -0.75 0.41 0.00 0.00 173.24 172.51 1jsa s LYS 4 N 3.59 3.51 0.00 12.44 2.20 -1.26 -5.02 119.74 135.21 1jsa s LYS 4 Ca 0.64 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1jsa s LYS 4 Cb -0.28 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1jsa s LYS 4 CO 0.23 0.34 0.00 -1.13 -0.36 0.00 0.00 175.35 174.43 1jsa n SER 5 N -0.98 2.37 0.00 1.43 3.41 -1.26 -5.05 113.62 113.54 1jsa n SER 5 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1jsa n SER 5 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsa n GLY 6 N 2.96 1.83 2.85 5.00 0.00 -1.26 -4.61 105.19 111.96 1jsa n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -3.64 4.61 0.00 -1.26 -4.90 120.51 115.32 1jsa n ALA 7 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1jsa n ALA 7 Cb 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1jsa n ALA 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1jsa s LEU 8 N 0.00 -0.40 0.00 0.00 0.05 -1.26 -5.02 118.68 112.05 1jsa s LEU 8 Ca 0.00 0.74 0.00 0.00 0.05 0.00 0.00 54.13 54.92 1jsa s LEU 8 Cb 0.00 1.73 0.00 0.00 -2.05 0.00 0.00 46.19 45.87 1jsa s LEU 8 CO 0.00 -0.12 0.00 -1.54 -0.55 0.00 0.00 176.35 174.14 1jsa n SER 9 N 2.46 0.00 0.05 1.48 3.41 -1.26 -4.93 113.62 114.83 1jsa n SER 9 Ca -0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.46 1jsa n SER 9 Cb 0.56 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1jsa n SER 9 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1jsa h LYS 10 N 0.00 0.00 0.03 4.33 2.10 -1.98 -2.32 116.57 118.73 1jsa h LYS 10 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1jsa h LYS 10 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1jsa h LYS 10 CO 0.00 0.43 -0.97 1.49 -2.00 0.00 0.00 179.45 178.40 1jsa h GLU 11 N 0.00 0.24 0.00 0.07 4.81 -1.96 -3.00 114.58 114.75 1jsa h GLU 11 Ca -0.13 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1jsa h GLU 11 Cb 1.61 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.08 1jsa h GLU 11 CO 0.06 1.04 -0.16 0.82 -0.73 0.00 0.00 179.01 180.04 1jsa h ILE 12 N 0.12 1.05 -0.87 2.32 2.04 -1.94 -3.25 117.51 116.97 1jsa h ILE 12 Ca -0.07 -1.83 0.25 0.00 1.00 0.00 0.00 64.86 64.21 1jsa h ILE 12 Cb 1.63 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.70 1jsa h ILE 12 CO 0.15 0.35 0.70 -0.07 0.00 0.00 0.00 178.15 179.29 1jsa h LEU 13 N -1.00 0.00 -1.24 1.44 3.38 -1.55 1.42 115.31 117.76 1jsa h LEU 13 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jsa h LEU 13 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1jsa h LEU 13 CO -0.02 0.00 0.44 -0.08 0.09 0.00 0.00 178.44 178.87 1jsa h GLU 14 N 0.00 0.00 -0.00 1.13 4.57 -1.55 2.82 114.58 121.54 1jsa h GLU 14 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 1jsa h GLU 14 Cb 1.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.41 1jsa h GLU 14 CO -0.00 0.00 -0.19 0.39 -1.18 0.00 0.00 179.01 178.02 1jsa n GLU 15 N -2.50 0.23 -0.28 1.92 -0.58 0.49 -4.27 120.64 115.65 1jsa n GLU 15 Ca -0.01 -0.08 0.23 0.00 -0.42 0.00 0.00 57.16 56.88 1jsa n GLU 15 Cb 0.47 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.22 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 -1.32 0.09 0.00 -4.62 -0.00 0.94 -0.59 117.00 111.51 1jsa n LEU 16 Ca 0.09 0.72 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 1jsa n LEU 16 Cb 0.32 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1jsa n LEU 16 CO 0.28 -0.77 0.49 0.00 -0.00 0.00 0.00 177.39 177.39 1jsa n GLN 17 N -3.64 0.00 -2.35 1.47 6.02 -1.26 -4.45 117.38 113.17 1jsa n GLN 17 Ca 0.22 0.52 -0.43 0.00 -0.01 0.00 0.00 57.00 57.31 1jsa n GLN 17 Cb 0.90 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.65 1jsa n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jsa s LEU 18 N -4.07 4.12 0.32 1.08 1.43 0.24 -4.70 118.68 117.11 1jsa s LEU 18 Ca 0.00 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1jsa s LEU 18 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1jsa s LEU 18 CO 0.00 -0.88 0.00 -3.20 0.23 0.00 0.00 176.35 172.50 1jsa n ASN 19 N 7.01 -6.23 -4.41 2.29 4.05 -1.26 -4.82 115.26 111.89 1jsa n ASN 19 Ca 0.15 0.83 -0.44 0.00 0.45 0.00 0.00 54.58 55.57 1jsa n ASN 19 Cb 0.45 -2.85 -0.06 0.00 1.23 0.00 0.00 39.78 38.55 1jsa n ASN 19 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1jsa s THR 20 N -2.63 4.96 0.24 -0.44 2.01 -1.26 -4.60 115.64 113.92 1jsa s THR 20 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1jsa s THR 20 Cb 0.00 -4.31 -0.15 0.00 0.01 0.00 0.00 72.50 68.05 1jsa s THR 20 CO 0.00 -0.84 0.85 0.29 -0.69 0.00 0.00 174.62 174.24 1jsa n LYS 21 N 5.94 0.84 -0.34 4.92 4.01 -1.26 -4.79 118.16 127.49 1jsa n LYS 21 Ca -0.09 0.30 0.02 0.00 -0.51 0.00 0.00 58.31 58.03 1jsa n LYS 21 Cb 0.44 -1.55 0.09 0.00 -0.51 0.00 0.00 35.03 33.49 1jsa n LYS 21 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 1jsa h PHE 22 N 1.77 -0.73 -1.06 2.13 -1.00 -1.95 -3.41 116.94 112.69 1jsa h PHE 22 Ca -0.36 0.09 0.17 0.00 2.81 0.00 0.00 57.97 60.68 1jsa h PHE 22 Cb 1.38 0.46 -0.24 0.00 3.61 0.00 0.00 35.95 41.16 1jsa h PHE 22 CO 0.46 -0.40 0.23 0.99 -1.61 0.00 0.00 178.31 177.98 1jsa s THR 23 N -6.13 -0.47 0.62 -1.55 2.01 -1.26 -4.99 115.64 103.87 1jsa s THR 23 Ca -0.14 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.10 1jsa s THR 23 Cb 0.23 -1.00 0.31 0.00 0.01 0.00 0.00 72.50 72.05 1jsa s THR 23 CO 0.74 0.00 1.63 1.05 -0.69 0.00 0.00 174.62 177.35 1jsa h GLU 24 N 7.40 0.00 -0.26 4.92 4.11 -1.99 2.42 114.58 131.17 1jsa h GLU 24 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1jsa h GLU 24 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jsa h GLU 24 CO 0.09 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.26 1jsa n GLU 25 N -3.21 1.73 -0.06 1.06 4.07 -1.26 -4.23 120.64 118.73 1jsa n GLU 25 Ca 0.08 -1.12 -0.04 0.00 -0.06 0.00 0.00 57.16 56.02 1jsa n GLU 25 Cb 0.85 -1.31 -0.01 0.00 -0.06 0.00 0.00 31.44 30.91 1jsa n GLU 25 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1jsa n GLU 26 N 0.38 0.39 0.00 5.31 0.00 0.81 -4.03 120.64 123.50 1jsa n GLU 26 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.78 1jsa n GLU 26 Cb 0.29 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1jsa n GLU 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1jsa n LEU 27 N -4.28 0.00 -0.05 4.31 -0.00 -1.25 -2.61 117.00 113.12 1jsa n LEU 27 Ca -0.06 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.92 1jsa n LEU 27 Cb 0.23 -0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.64 1jsa n LEU 27 CO 0.09 0.00 -0.19 0.28 -0.00 0.00 0.00 177.39 177.57 1jsa h SER 28 N 0.00 0.00 1.27 1.45 0.02 -1.74 -3.33 113.55 111.21 1jsa h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jsa h SER 28 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jsa h SER 28 CO 0.00 0.57 0.00 0.77 -1.14 0.00 0.00 176.83 177.03 1jsa h SER 29 N -0.86 0.00 1.16 3.07 4.64 -1.70 -2.93 113.55 116.93 1jsa h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jsa h SER 29 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1jsa h SER 29 CO 0.00 0.00 0.00 -0.25 -0.87 0.00 0.00 176.83 175.71 1jsa h TRP 30 N 0.00 0.00 -0.04 4.77 7.01 -1.67 -2.68 115.95 123.33 1jsa h TRP 30 Ca 0.00 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 1jsa h TRP 30 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1jsa h TRP 30 CO 0.00 0.00 -0.18 -0.92 -2.79 0.00 0.00 178.44 174.55 1jsa h TYR 31 N 0.00 0.26 -0.12 2.65 3.20 -1.62 -3.18 116.97 118.16 1jsa h TYR 31 Ca 0.00 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 1jsa h TYR 31 Cb 0.58 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1jsa h TYR 31 CO 0.00 0.81 -0.04 1.96 -1.64 0.00 0.00 178.16 179.25 1jsa h GLN 32 N -0.36 0.25 -1.30 1.82 4.20 -1.70 -2.55 115.11 115.47 1jsa h GLN 32 Ca -0.01 -0.10 0.38 0.00 0.06 0.00 0.00 58.65 58.98 1jsa h GLN 32 Cb 0.82 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 1jsa h GLN 32 CO 0.04 0.56 0.91 0.77 -0.67 0.00 0.00 178.83 180.44 1jsa h SER 33 N -0.08 0.11 0.11 1.46 0.02 -1.58 0.85 113.55 114.44 1jsa h SER 33 Ca 0.03 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.73 1jsa h SER 33 Cb 0.48 0.02 0.03 0.00 0.14 0.00 0.00 62.40 63.06 1jsa h SER 33 CO 0.01 -0.01 -1.16 0.15 -1.14 0.00 0.00 176.83 174.69 1jsa h PHE 34 N 0.08 0.95 -0.09 3.45 3.57 -1.46 -3.06 116.94 120.39 1jsa h PHE 34 Ca 0.66 -0.60 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1jsa h PHE 34 Cb 2.40 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 41.06 1jsa h PHE 34 CO -0.00 1.44 0.14 -0.07 -2.23 0.00 0.00 178.31 177.59 1jsa h LEU 35 N 0.19 0.00 -0.08 0.59 3.38 0.11 -0.31 115.31 119.19 1jsa h LEU 35 Ca -0.18 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.57 1jsa h LEU 35 Cb 1.84 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.61 1jsa h LEU 35 CO 0.22 0.00 -0.84 0.11 0.09 0.00 0.00 178.44 178.02 1jsa h LYS 36 N 0.00 0.71 0.00 1.13 1.79 -1.14 -2.62 116.57 116.44 1jsa h LYS 36 Ca 0.04 -0.66 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1jsa h LYS 36 Cb 0.32 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1jsa h LYS 36 CO -0.00 1.26 0.07 -0.85 -1.08 0.00 0.00 179.45 178.85 1jsa n GLU 37 N -3.96 0.12 0.00 3.15 -0.00 -0.13 -4.48 120.64 115.34 1jsa n GLU 37 Ca -0.09 0.61 0.00 0.00 -0.00 0.00 0.00 57.16 57.68 1jsa n GLU 37 Cb 0.78 -1.95 0.00 0.00 -0.00 0.00 0.00 31.44 30.27 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jsa n PRO 39 N 0.00 0.11 0.00 0.00 -0.02 -1.01 -4.54 135.00 129.55 1jsa n PRO 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jsa n PRO 39 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa n SER 40 N 0.92 0.00 0.00 2.55 2.88 -1.26 -5.07 113.62 113.64 1jsa n SER 40 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jsa n SER 40 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1jsa n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jsa n GLY 41 N 5.00 0.31 2.80 0.46 0.00 -1.26 -5.01 105.19 107.48 1jsa n GLY 41 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.24 -0.09 1.61 0.52 -1.26 -4.80 118.95 115.18 1jsa s ARG 42 Ca 0.00 0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.11 1jsa s ARG 42 Cb 0.00 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 1jsa s ARG 42 CO 0.00 -0.16 0.62 0.42 0.02 0.00 0.00 175.30 176.20 1jsa s ILE 43 N 1.15 5.09 0.88 1.52 1.01 -0.92 -4.91 121.20 125.03 1jsa s ILE 43 Ca -0.08 1.27 -0.14 0.00 0.00 0.00 0.00 60.65 61.71 1jsa s ILE 43 Cb -0.13 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.51 1jsa s ILE 43 CO -0.02 0.27 1.22 0.42 0.00 0.00 0.00 174.94 176.84 1jsa s THR 44 N 0.77 1.99 -0.02 2.92 -4.23 -1.26 -1.82 115.64 113.99 1jsa s THR 44 Ca 0.33 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1jsa s THR 44 Cb -0.17 -2.96 -0.26 0.00 1.34 0.00 0.00 72.50 70.46 1jsa s THR 44 CO 0.15 0.00 0.76 -0.09 -0.54 0.00 0.00 174.62 174.90 1jsa h ARG 45 N -1.35 0.17 0.00 3.99 1.12 -1.97 -3.10 114.38 113.23 1jsa h ARG 45 Ca -0.46 -0.28 -0.08 0.00 -1.11 0.00 0.00 59.98 58.05 1jsa h ARG 45 Cb 1.30 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.35 1jsa h ARG 45 CO 0.55 0.95 -0.40 0.37 -3.11 0.00 0.00 179.97 178.34 1jsa h GLN 46 N 0.05 0.00 -0.00 0.20 -0.00 -2.00 -2.46 115.11 110.89 1jsa h GLN 46 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1jsa h GLN 46 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.48 1jsa h GLN 46 CO 0.12 0.40 -0.43 -1.91 0.00 0.00 0.00 178.83 177.02 1jsa n GLU 47 N -4.02 0.06 -0.28 1.69 2.13 -1.25 -3.98 120.64 114.99 1jsa n GLU 47 Ca -0.02 -0.03 0.05 0.00 0.66 0.00 0.00 57.16 57.82 1jsa n GLU 47 Cb 0.43 -1.50 0.27 0.00 0.27 0.00 0.00 31.44 30.91 1jsa n GLU 47 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1jsa h PHE 48 N 0.08 0.98 0.00 4.31 3.57 -1.35 0.26 116.94 124.80 1jsa h PHE 48 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jsa h PHE 48 Cb 0.50 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1jsa h PHE 48 CO 0.00 0.51 0.00 -0.56 -2.23 0.00 0.00 178.31 176.03 1jsa h GLN 49 N 0.96 0.00 0.00 1.11 3.07 -1.72 -2.90 115.11 115.63 1jsa h GLN 49 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.12 1jsa h GLN 49 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1jsa h GLN 49 CO -0.14 0.00 0.00 2.41 0.09 0.00 0.00 178.83 181.19 1jsa n THR 50 N -2.92 1.20 -0.10 1.86 -1.04 0.08 -2.91 114.28 110.45 1jsa n THR 50 Ca 0.02 0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 62.25 1jsa n THR 50 Cb 0.37 -1.31 -0.09 0.00 -1.82 0.00 0.00 70.33 67.47 1jsa n THR 50 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1jsa n ILE 51 N -1.85 1.51 0.10 12.58 5.41 -1.09 -4.01 119.36 132.01 1jsa n ILE 51 Ca 0.01 0.01 0.03 0.00 1.00 0.00 0.00 62.75 63.80 1jsa n ILE 51 Cb 0.12 -2.11 0.14 0.00 -0.71 0.00 0.00 39.64 37.07 1jsa n ILE 51 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1jsa n TYR 52 N -4.46 0.17 1.02 1.39 4.02 -1.15 0.82 117.16 118.97 1jsa n TYR 52 Ca -0.28 0.09 0.11 0.00 -0.01 0.00 0.00 57.90 57.81 1jsa n TYR 52 Cb 0.60 -0.32 0.56 0.00 -0.02 0.00 0.00 39.34 40.16 1jsa n TYR 52 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1jsa n SER 53 N -1.65 0.00 -0.01 7.72 2.88 -1.24 -1.90 113.62 119.42 1jsa n SER 53 Ca -0.00 0.05 -0.19 0.00 -1.33 0.00 0.00 58.87 57.39 1jsa n SER 53 Cb 0.43 -0.32 -0.14 0.00 -0.75 0.00 0.00 64.21 63.43 1jsa n SER 53 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jsa n LYS 54 N -1.32 0.73 0.00 -1.46 5.02 0.24 -3.68 118.16 117.69 1jsa n LYS 54 Ca 0.10 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 1jsa n LYS 54 Cb 0.19 -1.70 0.15 0.00 -0.02 0.00 0.00 35.03 33.65 1jsa n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jsa n PHE 55 N -3.39 0.00 -2.98 2.13 3.72 -1.19 -4.56 117.46 111.20 1jsa n PHE 55 Ca -0.31 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.95 1jsa n PHE 55 Cb 1.05 -0.10 0.02 0.00 -0.94 0.00 0.00 39.48 39.51 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N -0.91 -1.12 1.06 1.38 3.72 -0.80 -4.92 117.46 115.87 1jsa n PHE 56 Ca 0.08 -3.06 0.06 0.00 -0.05 0.00 0.00 57.45 54.48 1jsa n PHE 56 Cb 0.37 0.48 0.34 0.00 -0.94 0.00 0.00 39.48 39.73 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 0.29 0.53 0.00 -1.08 -0.04 -1.24 -4.05 135.00 129.41 1jsa n PRO 57 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1jsa n PRO 57 Cb 0.68 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.84 0.00 0.00 0.54 -0.58 -1.26 -5.00 120.64 113.50 1jsa n GLU 58 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1jsa n GLU 58 Cb 0.04 -0.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jsa n ALA 59 N -1.10 0.00 -3.18 0.62 0.00 -1.26 -4.99 120.51 110.60 1jsa n ALA 59 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 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 1.09 -0.49 0.00 8.00 -1.25 -4.92 116.55 118.98 1jsa n ASP 60 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1jsa n ASP 60 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 0.69 0.21 0.19 -0.24 -0.04 -1.26 -3.33 135.00 131.23 1jsa n PRO 61 Ca 0.24 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1jsa n PRO 61 Cb 0.57 -1.10 0.40 0.00 -0.04 0.00 0.00 33.50 33.33 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jsa h LYS 62 N 0.78 0.00 0.05 0.54 1.57 -1.93 0.17 116.57 117.75 1jsa h LYS 62 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1jsa h LYS 62 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1jsa h LYS 62 CO 0.00 0.35 -1.06 0.00 -0.57 0.00 0.00 179.45 178.17 1jsa h ALA 63 N 1.65 0.30 0.00 3.86 0.00 -1.87 -3.25 119.26 119.96 1jsa h ALA 63 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1jsa h ALA 63 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jsa h ALA 63 CO 0.05 1.08 -0.73 0.98 0.00 0.00 0.00 179.25 180.63 1jsa n TYR 64 N -3.48 0.38 0.13 0.00 9.36 -1.08 -3.92 117.16 118.55 1jsa n TYR 64 Ca -0.04 0.11 -0.01 0.00 3.32 0.00 0.00 57.90 61.29 1jsa n TYR 64 Cb 0.94 -0.52 0.14 0.00 -0.63 0.00 0.00 39.34 39.27 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jsa h ALA 65 N 2.60 0.84 0.00 2.98 0.00 -0.69 -2.90 119.26 122.09 1jsa h ALA 65 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1jsa h ALA 65 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jsa h ALA 65 CO 0.00 0.79 -0.08 1.04 0.00 0.00 0.00 179.25 181.00 1jsa n GLN 66 N -3.62 0.11 0.02 0.00 6.02 -1.24 -3.35 117.38 115.32 1jsa n GLN 66 Ca -0.01 0.08 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1jsa n GLN 66 Cb 0.66 -1.62 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 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 0.04 0.00 1.08 3.86 -1.67 -3.26 115.15 115.20 1jsa h HIS 67 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1jsa h HIS 67 Cb 0.60 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1jsa h HIS 67 CO 0.00 1.03 0.00 0.28 0.86 0.00 0.00 177.93 180.10 1jsa n VAL 68 N -3.22 0.94 0.00 2.45 0.31 -1.19 -3.04 118.33 114.59 1jsa n VAL 68 Ca -0.09 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1jsa n VAL 68 Cb 1.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.47 0.00 0.13 3.52 7.35 -1.23 -3.62 117.46 122.14 1jsa n PHE 69 Ca 0.04 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.76 1jsa n PHE 69 Cb 0.16 -0.11 0.18 0.00 0.35 0.00 0.00 39.48 40.06 1jsa n PHE 69 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1jsa n ARG 70 N -0.83 0.05 -0.36 -4.13 3.00 -1.25 -0.03 116.66 113.11 1jsa n ARG 70 Ca 0.00 0.47 0.04 0.00 -0.00 0.00 0.00 57.85 58.36 1jsa n ARG 70 Cb 0.00 -2.10 0.20 0.00 0.00 0.00 0.00 32.46 30.56 1jsa n ARG 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1jsa h SER 71 N 0.00 0.97 0.00 6.15 4.64 -1.60 -3.35 113.55 120.36 1jsa h SER 71 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jsa h SER 71 Cb 0.87 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1jsa h SER 71 CO 0.00 0.58 0.00 0.33 -0.87 0.00 0.00 176.83 176.87 1jsa n PHE 72 N -4.57 0.00 -0.55 4.77 7.35 0.96 -4.59 117.46 120.83 1jsa n PHE 72 Ca 0.17 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.82 1jsa n PHE 72 Cb 0.26 0.01 0.25 0.00 0.35 0.00 0.00 39.48 40.34 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 0.00 4.27 -0.94 -2.13 2.03 0.34 -3.97 116.55 116.14 1jsa n ASP 73 Ca 0.00 -2.91 0.08 0.00 0.52 0.00 0.00 54.79 52.49 1jsa n ASP 73 Cb 0.30 -0.69 0.22 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.03 2.28 -0.62 -1.67 0.00 -1.26 -3.85 120.51 115.43 1jsa n ALA 74 Ca 0.30 -1.17 -0.16 0.00 0.00 0.00 0.00 53.44 52.41 1jsa n ALA 74 Cb 1.14 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 1.03 3.92 -3.78 0.00 6.94 -1.25 -4.49 115.26 117.63 1jsa n ASN 75 Ca 0.17 -2.20 -0.33 0.00 -0.02 0.00 0.00 54.58 52.20 1jsa n ASN 75 Cb 0.51 -0.94 0.02 0.00 -2.36 0.00 0.00 39.78 37.01 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 3.85 -5.06 0.09 0.53 7.64 -1.26 -4.86 113.62 114.55 1jsa n SER 76 Ca 0.35 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1jsa n SER 76 Cb 0.21 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.78 1jsa n SER 76 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1jsa n ASP 77 N -2.43 -0.34 0.00 6.43 5.75 -1.26 -5.04 116.55 119.67 1jsa n ASP 77 Ca -0.14 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1jsa n ASP 77 Cb 0.60 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 78 N 1.24 0.90 3.02 6.12 0.00 -1.25 -5.04 105.19 110.18 1jsa n GLY 78 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.20 0.13 -0.24 2.61 -4.23 -1.26 -4.77 115.64 105.67 1jsa s THR 79 Ca 0.00 -1.05 -0.18 0.00 -1.18 0.00 0.00 61.69 59.28 1jsa s THR 79 Cb 0.00 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.28 1jsa s THR 79 CO 0.00 -0.58 0.52 -0.76 -0.54 0.00 0.00 174.62 173.26 1jsa s LEU 80 N -1.75 4.09 0.44 4.79 1.43 -0.75 -4.87 118.68 122.06 1jsa s LEU 80 Ca -0.11 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1jsa s LEU 80 Cb -0.06 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1jsa s LEU 80 CO -0.02 -0.25 0.71 -1.81 0.23 0.00 0.00 176.35 175.21 1jsa s ASP 81 N 1.38 6.23 0.35 2.29 1.01 -1.26 -2.17 116.67 124.51 1jsa s ASP 81 Ca 0.22 0.75 0.03 0.00 0.71 0.00 0.00 52.55 54.26 1jsa s ASP 81 Cb -0.15 -2.14 0.65 0.00 1.01 0.00 0.00 42.92 42.29 1jsa s ASP 81 CO 0.09 -0.51 2.00 0.15 0.21 0.00 0.00 175.17 177.11 1jsa h PHE 82 N 0.38 0.76 0.77 4.23 3.04 -1.97 -0.24 116.94 123.91 1jsa h PHE 82 Ca -0.48 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.45 1jsa h PHE 82 Cb 1.21 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1jsa h PHE 82 CO 0.55 0.50 -0.49 -0.22 -2.02 0.00 0.00 178.31 176.63 1jsa h LYS 83 N 0.81 -1.15 0.00 1.11 3.11 -1.95 -1.96 116.57 116.54 1jsa h LYS 83 Ca 0.21 0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 58.13 1jsa h LYS 83 Cb -0.06 0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1jsa h LYS 83 CO -0.04 -0.76 -0.02 1.05 -2.81 0.00 0.00 179.45 176.86 1jsa h GLU 84 N -1.19 0.00 0.07 1.90 4.11 -1.93 -3.05 114.58 114.49 1jsa h GLU 84 Ca -0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 1jsa h GLU 84 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1jsa h GLU 84 CO 0.09 0.02 -0.03 -0.92 0.07 0.00 0.00 179.01 178.24 1jsa h TYR 85 N 0.00 -0.09 -0.81 2.06 3.20 -0.44 -2.79 116.97 118.10 1jsa h TYR 85 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1jsa h TYR 85 Cb 0.37 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1jsa h TYR 85 CO 0.00 0.23 0.53 0.28 -1.64 0.00 0.00 178.16 177.56 1jsa h VAL 86 N -0.42 0.93 0.31 1.81 2.07 -1.26 0.13 116.25 119.82 1jsa h VAL 86 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1jsa h VAL 86 Cb 0.36 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1jsa h VAL 86 CO 0.02 0.13 -0.24 0.40 0.02 0.00 0.00 177.57 177.89 1jsa h ILE 87 N 0.72 0.48 -0.20 4.57 1.08 -1.53 0.11 117.51 122.75 1jsa h ILE 87 Ca 0.38 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.80 1jsa h ILE 87 Cb 0.49 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1jsa h ILE 87 CO -0.15 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.24 1jsa h ALA 88 N 0.06 0.28 -0.88 1.87 0.00 -1.13 0.45 119.26 119.91 1jsa h ALA 88 Ca -0.02 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1jsa h ALA 88 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1jsa h ALA 88 CO -0.01 0.08 0.57 1.25 0.00 0.00 0.00 179.25 181.15 1jsa h LEU 89 N 0.11 0.90 0.00 0.00 7.12 -0.68 -1.61 115.31 121.15 1jsa h LEU 89 Ca 0.05 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1jsa h LEU 89 Cb 0.54 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1jsa h LEU 89 CO 0.02 0.60 -0.54 1.12 -0.13 0.00 0.00 178.44 179.51 1jsa h HIS 90 N 1.03 0.00 -0.61 1.25 2.07 -0.70 -3.32 115.15 114.88 1jsa h HIS 90 Ca 0.37 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.79 1jsa h HIS 90 Cb 0.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 1jsa h HIS 90 CO -0.00 0.00 0.00 0.52 -3.07 0.00 0.00 177.93 175.38 1jsa h MET 91 N 0.00 1.06 -0.00 5.12 2.86 0.09 -2.02 114.93 122.05 1jsa h MET 91 Ca 0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1jsa h MET 91 Cb 0.99 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1jsa h MET 91 CO 0.00 1.03 0.00 2.41 1.06 0.00 0.00 176.91 181.41 1jsa n THR 92 N -4.18 0.00 0.00 2.22 -1.04 -1.04 -4.63 114.28 105.61 1jsa n THR 92 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1jsa n THR 92 Cb 0.35 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.50 0.00 -0.62 8.00 2.88 -0.78 -4.96 113.62 117.64 1jsa n SER 93 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1jsa n SER 93 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jsa n ALA 94 N -3.00 -0.07 -0.72 -1.46 0.00 -1.11 -4.54 120.51 109.61 1jsa n ALA 94 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1jsa n ALA 94 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1jsa n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsa n GLY 95 N 0.13 -1.65 3.10 0.00 0.00 -1.26 -4.63 105.19 100.89 1jsa n GLY 95 Ca -0.04 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 1jsa n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jsa s LYS 96 N -0.69 2.22 0.00 1.61 2.20 -1.26 -5.02 119.74 118.80 1jsa s LYS 96 Ca 0.00 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.21 1jsa s LYS 96 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1jsa s LYS 96 CO 0.00 -0.65 0.00 0.25 -0.36 0.00 0.00 175.35 174.59 1jsa n THR 97 N 4.49 0.00 -4.06 3.43 -2.24 -1.26 -5.09 114.28 109.55 1jsa n THR 97 Ca -0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1jsa n THR 97 Cb 0.42 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1jsa n THR 97 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1jsa s ASN 98 N -0.99 5.48 1.59 3.42 -0.87 -1.26 -4.96 114.94 117.34 1jsa s ASN 98 Ca 0.00 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1jsa s ASN 98 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.25 39.78 1jsa s ASN 98 CO 0.00 0.17 0.00 1.67 -2.57 0.00 0.00 177.10 176.37 1jsa n GLN 99 N 0.46 0.00 0.00 -0.60 -0.06 -1.26 -4.43 117.38 111.50 1jsa n GLN 99 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1jsa n GLN 99 Cb 0.52 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.70 1jsa n GLN 99 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1jsa n LYS 100 N 14.00 0.00 0.00 3.69 2.85 -1.26 -4.69 118.16 132.75 1jsa n LYS 100 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1jsa n LYS 100 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1jsa n LEU 101 N 0.00 0.00 0.21 -5.58 7.94 -1.26 -4.73 117.00 113.58 1jsa n LEU 101 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1jsa n LEU 101 Cb 0.00 -0.21 0.44 0.00 0.53 0.00 0.00 43.42 44.17 1jsa n LEU 101 CO 0.00 0.00 0.77 -0.33 -1.11 0.00 0.00 177.39 176.72 1jsa h GLU 102 N 0.89 0.00 0.00 1.96 5.08 -1.98 -2.65 114.58 117.88 1jsa h GLU 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jsa h GLU 102 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jsa h GLU 102 CO 0.00 0.28 0.00 1.87 -1.00 0.00 0.00 179.01 180.16 1jsa n TRP 103 N -3.50 0.76 -0.02 4.33 -0.00 -1.26 -2.51 117.44 115.23 1jsa n TRP 103 Ca -0.00 0.35 -0.13 0.00 -0.00 0.00 0.00 57.50 57.72 1jsa n TRP 103 Cb 0.44 -1.07 -0.09 0.00 -0.00 0.00 0.00 31.31 30.59 1jsa n TRP 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1jsa h ALA 104 N 2.10 0.08 0.00 5.87 0.00 -1.87 -2.52 119.26 122.93 1jsa h ALA 104 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jsa h ALA 104 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jsa h ALA 104 CO 0.00 -0.18 0.00 0.34 0.00 0.00 0.00 179.25 179.41 1jsa n PHE 105 N -4.80 0.00 0.01 0.00 7.35 -1.04 -1.51 117.46 117.48 1jsa n PHE 105 Ca -0.07 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.42 1jsa n PHE 105 Cb 0.25 -0.24 -0.14 0.00 0.35 0.00 0.00 39.48 39.70 1jsa n PHE 105 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1jsa h SER 106 N 0.00 0.39 0.62 -2.13 4.64 -1.56 -3.05 113.55 112.46 1jsa h SER 106 Ca 0.00 -0.83 -0.20 0.00 -0.47 0.00 0.00 61.79 60.29 1jsa h SER 106 Cb 0.02 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1jsa h SER 106 CO 0.00 1.74 -0.90 0.25 -0.87 0.00 0.00 176.83 177.04 1jsa h LEU 107 N 0.07 0.24 -0.42 5.97 7.12 -1.22 -3.14 115.31 123.92 1jsa h LEU 107 Ca -0.39 -0.20 -0.11 0.00 0.13 0.00 0.00 57.88 57.31 1jsa h LEU 107 Cb 2.04 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 42.08 1jsa h LEU 107 CO 0.10 1.02 -0.51 1.88 -0.13 0.00 0.00 178.44 180.81 1jsa h TYR 108 N 0.09 0.00 -1.29 1.25 0.05 -1.63 -3.31 116.97 112.14 1jsa h TYR 108 Ca -0.05 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 57.99 1jsa h TYR 108 Cb 1.55 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 39.14 1jsa h TYR 108 CO 0.03 0.51 2.23 -3.47 -1.05 0.00 0.00 178.16 176.40 1jsa n ASP 109 N -3.38 7.96 -0.03 3.88 -0.08 -1.15 -4.62 116.55 119.12 1jsa n ASP 109 Ca 0.01 -3.21 -0.01 0.00 -1.51 0.00 0.00 54.79 50.06 1jsa n ASP 109 Cb 0.66 -1.33 -0.01 0.00 2.34 0.00 0.00 41.12 42.78 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jsa n VAL 110 N 1.48 -0.06 -0.21 5.18 0.31 -1.25 -0.55 118.33 123.24 1jsa n VAL 110 Ca 0.60 1.43 -0.01 0.00 -0.01 0.00 0.00 64.34 66.36 1jsa n VAL 110 Cb 0.25 -1.88 0.10 0.00 -0.91 0.00 0.00 33.84 31.40 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 -1.81 4.52 3.04 -1.94 -3.47 116.42 117.08 1jsa h ASP 111 Ca 0.01 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1jsa h ASP 111 Cb 0.03 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1jsa h ASP 111 CO -0.08 0.19 0.00 0.61 -2.04 0.00 0.00 179.24 177.92 1jsa n GLY 112 N -1.29 -0.02 1.15 7.15 0.00 0.28 -5.03 105.19 107.44 1jsa n GLY 112 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1jsa n GLY 112 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsa n ASN 113 N -0.42 2.31 0.00 1.61 4.13 -1.26 -4.93 115.26 116.70 1jsa n ASN 113 Ca 0.00 -3.51 0.00 0.00 1.68 0.00 0.00 54.58 52.75 1jsa n ASN 113 Cb 0.12 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jsa n GLY 114 N -0.78 0.00 3.25 7.41 0.00 -1.26 -4.81 105.19 109.01 1jsa n GLY 114 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.92 -0.00 0.26 2.61 -4.23 -1.26 -3.94 115.64 108.16 1jsa s THR 115 Ca 0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1jsa s THR 115 Cb 0.00 -0.51 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 1jsa s THR 115 CO 0.00 0.00 0.54 -0.63 -0.54 0.00 0.00 174.62 173.99 1jsa s ILE 116 N 0.25 5.01 0.38 2.99 1.01 0.13 -4.85 121.20 126.12 1jsa s ILE 116 Ca -0.00 0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.87 1jsa s ILE 116 Cb -0.03 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1jsa s ILE 116 CO -0.00 -0.22 0.18 -0.55 0.00 0.00 0.00 174.94 174.35 1jsa s SER 117 N -2.86 2.35 0.25 3.58 0.15 -1.26 -2.06 113.70 113.84 1jsa s SER 117 Ca 0.45 -1.70 -0.05 0.00 0.70 0.00 0.00 55.95 55.34 1jsa s SER 117 Cb -0.11 0.53 0.27 0.00 -1.71 0.00 0.00 66.02 65.01 1jsa s SER 117 CO 0.27 -0.98 1.89 0.11 1.20 0.00 0.00 173.24 175.73 1jsa h LYS 118 N 1.92 1.22 0.00 5.44 1.57 -1.99 -2.39 116.57 122.34 1jsa h LYS 118 Ca -0.32 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1jsa h LYS 118 Cb 1.26 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1jsa h LYS 118 CO 0.49 0.87 0.00 -1.71 -0.57 0.00 0.00 179.45 178.53 1jsa n ASN 119 N -4.35 0.00 -0.25 0.86 5.15 -1.26 -0.75 115.26 114.66 1jsa n ASN 119 Ca 0.10 0.98 0.05 0.00 -0.60 0.00 0.00 54.58 55.11 1jsa n ASN 119 Cb 0.08 -0.48 0.15 0.00 -0.53 0.00 0.00 39.78 38.99 1jsa n ASN 119 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1jsa h GLU 120 N 0.00 0.09 -0.56 1.20 5.08 -1.90 0.84 114.58 119.33 1jsa h GLU 120 Ca 0.00 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1jsa h GLU 120 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1jsa h GLU 120 CO 0.00 0.06 0.39 0.28 -1.00 0.00 0.00 179.01 178.74 1jsa h VAL 121 N 0.09 0.82 -0.14 3.13 2.07 -1.22 -1.67 116.25 119.33 1jsa h VAL 121 Ca 0.40 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.80 1jsa h VAL 121 Cb 0.70 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jsa h VAL 121 CO -0.67 0.04 -0.12 0.25 0.02 0.00 0.00 177.57 177.10 1jsa h LEU 122 N 0.22 0.35 0.40 2.57 6.46 0.29 -1.55 115.31 124.05 1jsa h LEU 122 Ca 0.27 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1jsa h LEU 122 Cb 0.75 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1jsa h LEU 122 CO -0.05 0.74 -0.28 -0.33 -0.62 0.00 0.00 178.44 177.90 1jsa h GLU 123 N -0.04 -0.62 -0.46 1.25 3.07 -0.76 0.84 114.58 117.86 1jsa h GLU 123 Ca 0.02 0.04 0.13 0.00 -0.50 0.00 0.00 59.36 59.06 1jsa h GLU 123 Cb 0.63 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 1jsa h GLU 123 CO 0.03 -0.41 0.38 0.82 -1.40 0.00 0.00 179.01 178.43 1jsa h ILE 124 N -0.64 0.59 -0.02 3.13 5.03 -1.57 0.14 117.51 124.17 1jsa h ILE 124 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.68 1jsa h ILE 124 Cb 0.52 0.72 -0.00 0.00 -3.03 0.00 0.00 36.82 35.04 1jsa h ILE 124 CO 0.03 0.00 -0.02 0.58 -0.68 0.00 0.00 178.15 178.06 1jsa h VAL 125 N 0.00 1.40 -0.51 1.67 2.07 -0.54 -1.25 116.25 119.09 1jsa h VAL 125 Ca 0.22 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1jsa h VAL 125 Cb 0.98 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1jsa h VAL 125 CO -0.00 0.32 0.19 0.74 0.02 0.00 0.00 177.57 178.83 1jsa h THR 126 N -0.45 1.22 -0.16 2.57 2.02 0.31 -2.13 112.91 116.29 1jsa h THR 126 Ca 0.00 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.51 1jsa h THR 126 Cb 0.53 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1jsa h THR 126 CO 0.00 0.26 -0.03 0.00 0.37 0.00 0.00 175.52 176.13 1jsa h ALA 127 N 1.04 0.11 -0.64 6.16 0.00 -1.03 -0.28 119.26 124.62 1jsa h ALA 127 Ca 0.17 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1jsa h ALA 127 Cb 0.23 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1jsa h ALA 127 CO -0.01 -0.47 0.43 0.82 0.00 0.00 0.00 179.25 180.02 1jsa h ILE 128 N 0.01 0.83 -0.82 0.00 2.04 -0.98 0.40 117.51 118.98 1jsa h ILE 128 Ca 0.08 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1jsa h ILE 128 Cb 0.12 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1jsa h ILE 128 CO -0.16 0.06 0.44 0.15 0.00 0.00 0.00 178.15 178.64 1jsa h PHE 129 N 0.33 1.15 -0.54 1.37 3.57 -0.38 -2.23 116.94 120.21 1jsa h PHE 129 Ca 0.30 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1jsa h PHE 129 Cb 0.74 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1jsa h PHE 129 CO -0.00 0.81 0.30 0.87 -2.23 0.00 0.00 178.31 178.05 1jsa h LYS 130 N 1.15 0.56 -0.62 1.11 1.79 -0.52 -0.30 116.57 119.74 1jsa h LYS 130 Ca 0.29 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.80 1jsa h LYS 130 Cb 0.05 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1jsa h LYS 130 CO -0.04 0.37 0.41 1.98 -1.08 0.00 0.00 179.45 181.09 1jsa h MET 131 N 0.58 0.52 -6.91 3.15 4.05 -1.22 -3.31 114.93 111.79 1jsa h MET 131 Ca 0.23 -0.03 -0.51 0.00 -0.28 0.00 0.00 59.70 59.11 1jsa h MET 131 Cb 0.10 -0.12 0.05 0.00 -0.80 0.00 0.00 31.60 30.83 1jsa h MET 131 CO -0.14 0.34 0.52 0.42 0.23 0.00 0.00 176.91 178.29 1jsa s ILE 132 N -5.49 3.14 0.13 1.77 1.01 -0.12 -4.49 121.20 117.14 1jsa s ILE 132 Ca -0.08 1.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1jsa s ILE 132 Cb 0.19 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1jsa s ILE 132 CO 0.75 0.15 0.44 -0.94 0.00 0.00 0.00 174.94 175.35 1jsa s SER 133 N -0.97 6.63 0.22 3.58 1.04 -1.26 -4.91 113.70 118.03 1jsa s SER 133 Ca 0.53 0.81 -0.08 0.00 0.48 0.00 0.00 55.95 57.69 1jsa s SER 133 Cb -0.33 -2.18 0.31 0.00 0.10 0.00 0.00 66.02 63.92 1jsa s SER 133 CO 0.42 0.09 1.75 -0.65 0.98 0.00 0.00 173.24 175.82 1jsa h PRO 134 N 3.26 0.44 -0.50 4.02 0.11 -1.94 0.74 132.00 138.13 1jsa h PRO 134 Ca -0.48 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.73 1jsa h PRO 134 Cb 1.18 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1jsa h PRO 134 CO 0.68 0.29 0.35 1.49 -0.21 0.00 0.00 178.00 180.61 1jsa h GLU 135 N 0.46 0.10 0.00 1.05 4.81 -2.03 0.06 114.58 119.03 1jsa h GLU 135 Ca 0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1jsa h GLU 135 Cb 0.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1jsa h GLU 135 CO -0.31 0.07 -1.33 -0.25 -0.73 0.00 0.00 179.01 176.46 1jsa n ASP 136 N -4.42 0.51 0.00 1.04 9.92 0.52 -4.06 116.55 120.05 1jsa n ASP 136 Ca 0.09 -0.25 0.06 0.00 -0.53 0.00 0.00 54.79 54.16 1jsa n ASP 136 Cb 0.50 1.19 0.27 0.00 -0.64 0.00 0.00 41.12 42.45 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jsa n THR 137 N -2.03 1.11 0.98 -3.53 -1.04 0.23 -1.56 114.28 108.44 1jsa n THR 137 Ca 0.00 0.28 0.12 0.00 -2.04 0.00 0.00 64.05 62.41 1jsa n THR 137 Cb 0.47 -1.07 0.31 0.00 -1.82 0.00 0.00 70.33 68.22 1jsa n THR 137 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 138 N -1.48 0.01 0.04 -2.82 5.02 -1.19 -4.00 118.16 113.74 1jsa n LYS 138 Ca 0.03 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1jsa n LYS 138 Cb 0.14 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 1jsa n LYS 138 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jsa h HIS 139 N 0.00 0.50 -4.10 2.13 3.86 -1.54 -3.46 115.15 112.54 1jsa h HIS 139 Ca 0.00 -0.36 -0.56 0.00 -1.16 0.00 0.00 60.37 58.29 1jsa h HIS 139 Cb 0.51 -0.02 0.16 0.00 1.06 0.00 0.00 27.41 29.12 1jsa h HIS 139 CO 0.00 1.31 0.51 1.47 0.86 0.00 0.00 177.93 182.08 1jsa n LEU 140 N -4.15 6.03 -4.66 2.43 -0.00 -1.25 -4.87 117.00 110.54 1jsa n LEU 140 Ca -0.14 0.83 -0.46 0.00 -0.00 0.00 0.00 56.01 56.23 1jsa n LEU 140 Cb 0.80 -1.56 -0.04 0.00 -0.00 0.00 0.00 43.42 42.63 1jsa n LEU 140 CO 0.47 -1.01 1.07 -2.65 -0.00 0.00 0.00 177.39 175.27 1jsa n PRO 141 N -1.91 1.98 0.33 1.47 -0.02 -1.26 -4.83 135.00 130.75 1jsa n PRO 141 Ca 0.16 0.71 0.21 0.00 -2.02 0.00 0.00 63.50 62.55 1jsa n PRO 141 Cb 0.48 -2.41 1.13 0.00 -0.02 0.00 0.00 33.50 32.68 1jsa n PRO 141 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jsa h GLU 142 N 4.92 0.00 0.00 -0.52 3.07 -1.91 -1.96 114.58 118.17 1jsa h GLU 142 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1jsa h GLU 142 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1jsa h GLU 142 CO 0.81 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.95 1jsa n ASP 143 N -3.28 0.00 -2.70 1.42 2.03 -1.26 -2.13 116.55 110.62 1jsa n ASP 143 Ca -0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 1jsa n ASP 143 Cb 0.09 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.59 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1jsa n GLU 144 N -0.69 1.07 0.00 -0.67 0.28 -0.74 -4.59 120.64 115.30 1jsa n GLU 144 Ca 0.00 -1.76 0.16 0.00 -0.16 0.00 0.00 57.16 55.40 1jsa n GLU 144 Cb 0.00 -0.28 0.91 0.00 1.43 0.00 0.00 31.44 33.50 1jsa n GLU 144 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jsa n ASN 145 N -0.34 0.05 -4.04 -1.84 5.15 -0.91 -4.59 115.26 108.75 1jsa n ASN 145 Ca -0.02 -0.91 -0.09 0.00 -0.60 0.00 0.00 54.58 52.96 1jsa n ASN 145 Cb 0.80 -0.03 -0.11 0.00 -0.53 0.00 0.00 39.78 39.91 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jsa s THR 146 N -2.07 0.23 0.42 -0.44 -4.23 -1.26 -5.02 115.64 103.27 1jsa s THR 146 Ca 0.45 -1.30 0.14 0.00 -1.18 0.00 0.00 61.69 59.81 1jsa s THR 146 Cb 0.22 -0.81 0.34 0.00 1.34 0.00 0.00 72.50 73.59 1jsa s THR 146 CO 0.38 -0.68 1.93 -0.65 -0.54 0.00 0.00 174.62 175.06 1jsa h PRO 147 N 4.02 0.45 0.00 3.99 0.10 -1.92 0.22 132.00 138.86 1jsa h PRO 147 Ca -0.33 -0.03 -0.09 0.00 0.10 0.00 0.00 66.00 65.65 1jsa h PRO 147 Cb 1.18 -0.10 -0.01 0.00 0.10 0.00 0.00 31.00 32.17 1jsa h PRO 147 CO 0.51 0.29 -0.43 0.93 0.10 0.00 0.00 178.00 179.40 1jsa h GLU 148 N 0.46 0.00 0.00 1.05 4.39 -1.96 -2.72 114.58 115.79 1jsa h GLU 148 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1jsa h GLU 148 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1jsa h GLU 148 CO -0.12 0.43 -0.82 -0.22 -1.16 0.00 0.00 179.01 177.13 1jsa h LYS 149 N 0.00 0.00 0.03 2.33 3.64 -1.19 -3.36 116.57 118.03 1jsa h LYS 149 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1jsa h LYS 149 Cb 1.29 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 1jsa h LYS 149 CO 0.06 0.00 -1.82 -2.13 -2.27 0.00 0.00 179.45 173.29 1jsa n ARG 150 N -2.45 0.67 0.01 1.90 0.63 0.51 -3.88 116.66 114.05 1jsa n ARG 150 Ca 0.01 0.28 0.21 0.00 -0.92 0.00 0.00 57.85 57.44 1jsa n ARG 150 Cb 0.50 -1.76 0.55 0.00 0.45 0.00 0.00 32.46 32.20 1jsa n ARG 150 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jsa h ALA 151 N 0.74 2.40 0.00 5.13 0.00 -1.63 2.62 119.26 128.52 1jsa h ALA 151 Ca -0.33 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1jsa h ALA 151 Cb 2.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1jsa h ALA 151 CO 0.08 -1.14 -0.84 0.93 0.00 0.00 0.00 179.25 178.29 1jsa h GLU 152 N 0.00 0.00 0.01 0.00 3.07 -1.79 -2.27 114.58 113.60 1jsa h GLU 152 Ca 0.28 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1jsa h GLU 152 Cb 1.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.85 1jsa h GLU 152 CO -0.00 0.72 -0.00 0.87 -1.40 0.00 0.00 179.01 179.19 1jsa h LYS 153 N 0.00 -0.01 0.61 2.33 1.79 0.44 -0.98 116.57 120.75 1jsa h LYS 153 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1jsa h LYS 153 Cb 1.60 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.26 1jsa h LYS 153 CO 0.09 0.70 -0.29 0.82 -1.08 0.00 0.00 179.45 179.69 1jsa h ILE 154 N -0.73 0.00 -0.39 1.86 2.04 -1.48 -0.17 117.51 118.63 1jsa h ILE 154 Ca -0.00 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.67 1jsa h ILE 154 Cb 0.71 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jsa h ILE 154 CO 0.00 0.00 0.32 -0.25 0.00 0.00 0.00 178.15 178.23 1jsa h TRP 155 N -1.13 0.00 -0.01 1.37 2.91 -1.56 0.23 115.95 117.76 1jsa h TRP 155 Ca -0.08 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.77 1jsa h TRP 155 Cb 0.63 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.26 1jsa h TRP 155 CO 0.01 0.00 -0.78 0.78 -1.03 0.00 0.00 178.44 177.43 1jsa h GLY 156 N 0.00 0.09 0.86 2.65 0.00 -0.97 -2.65 103.07 103.05 1jsa h GLY 156 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1jsa h GLY 156 CO -0.00 0.13 0.05 0.74 0.00 0.00 0.00 176.54 177.46 1jsa h PHE 157 N 0.05 0.40 0.53 5.60 0.04 0.14 -3.29 116.94 120.41 1jsa h PHE 157 Ca -0.02 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1jsa h PHE 157 Cb 1.36 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.41 1jsa h PHE 157 CO 0.01 0.49 -0.26 0.74 -0.60 0.00 0.00 178.31 178.69 1jsa h PHE 158 N 0.20 -0.66 -0.72 -0.55 0.04 -1.53 -3.49 116.94 110.22 1jsa h PHE 158 Ca 0.07 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1jsa h PHE 158 Cb 0.29 0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1jsa h PHE 158 CO 0.01 -0.41 0.00 0.41 -0.60 0.00 0.00 178.31 177.72 1jsa n GLY 159 N -0.58 0.42 3.74 -1.45 0.00 -1.00 -5.10 105.19 101.22 1jsa n GLY 159 Ca -0.09 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1jsa n GLY 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jsa s LYS 160 N -1.34 3.03 0.00 1.61 2.47 -1.26 -5.02 119.74 119.22 1jsa s LYS 160 Ca 0.00 -0.44 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 1jsa s LYS 160 Cb 0.00 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.53 1jsa s LYS 160 CO 0.00 0.68 0.00 1.17 0.16 0.00 0.00 175.35 177.36 1jsa n LYS 161 N 1.66 0.00 0.14 4.03 3.00 -1.26 -4.85 118.16 120.88 1jsa n LYS 161 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.00 1jsa n LYS 161 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.48 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1jsa h ASP 162 N 0.00 -1.36 -2.51 3.14 3.32 -2.04 -3.02 116.42 113.95 1jsa h ASP 162 Ca 0.00 0.13 -0.79 0.00 0.02 0.00 0.00 57.03 56.40 1jsa h ASP 162 Cb 0.00 0.49 -0.24 0.00 0.22 0.00 0.00 39.33 39.80 1jsa h ASP 162 CO 0.00 -0.52 1.14 0.47 -1.72 0.00 0.00 179.24 178.61 1jsa n ASP 163 N -5.12 5.82 -1.40 6.45 9.92 -1.26 -4.86 116.55 126.10 1jsa n ASP 163 Ca -0.08 -3.24 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 1jsa n ASP 163 Cb 0.38 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1jsa n ASP 163 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1jsa n ASP 164 N 2.60 0.00 -3.70 -2.24 5.68 -1.14 -4.44 116.55 113.30 1jsa n ASP 164 Ca 0.31 -0.34 -0.26 0.00 -0.50 0.00 0.00 54.79 53.99 1jsa n ASP 164 Cb 0.36 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.17 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jsa s LYS 165 N 1.27 0.44 0.01 0.11 3.01 -1.26 -4.78 119.74 118.54 1jsa s LYS 165 Ca 0.00 -0.24 -0.30 0.00 -1.01 0.00 0.00 55.97 54.42 1jsa s LYS 165 Cb 0.00 -1.86 -0.05 0.00 -1.01 0.00 0.00 37.83 34.91 1jsa s LYS 165 CO 0.00 -0.61 1.27 -1.17 0.51 0.00 0.00 175.35 175.35 1jsa s LEU 166 N 1.97 4.33 0.42 3.17 2.96 -0.88 -4.69 118.68 125.96 1jsa s LEU 166 Ca 0.01 2.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.91 1jsa s LEU 166 Cb -0.16 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1jsa s LEU 166 CO -0.08 -0.59 0.66 0.42 -1.32 0.00 0.00 176.35 175.45 1jsa s THR 167 N 1.77 4.77 0.25 3.68 -4.23 -1.26 0.21 115.64 120.83 1jsa s THR 167 Ca 0.60 -0.24 0.36 0.00 -1.18 0.00 0.00 61.69 61.23 1jsa s THR 167 Cb -0.29 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.17 1jsa s THR 167 CO 0.26 -0.61 2.09 -0.33 -0.54 0.00 0.00 174.62 175.50 1jsa h GLU 168 N 0.47 0.00 0.00 3.99 3.07 -1.96 -1.17 114.58 118.99 1jsa h GLU 168 Ca -0.48 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1jsa h GLU 168 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1jsa h GLU 168 CO 0.61 0.00 -0.00 0.87 -1.40 0.00 0.00 179.01 179.08 1jsa h LYS 169 N 0.00 -0.01 0.03 2.33 1.57 -1.93 -3.26 116.57 115.31 1jsa h LYS 169 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1jsa h LYS 169 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1jsa h LYS 169 CO 0.00 0.34 -1.21 0.93 -0.57 0.00 0.00 179.45 178.93 1jsa h GLU 170 N -0.35 0.06 -0.20 3.15 4.39 -1.92 -3.25 114.58 116.46 1jsa h GLU 170 Ca -0.00 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1jsa h GLU 170 Cb 0.34 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1jsa h GLU 170 CO 0.00 0.95 0.77 0.35 -1.16 0.00 0.00 179.01 179.93 1jsa h PHE 171 N 0.02 0.00 0.10 4.33 3.04 -1.25 1.38 116.94 124.56 1jsa h PHE 171 Ca -0.10 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.50 1jsa h PHE 171 Cb 1.87 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.35 1jsa h PHE 171 CO 0.01 0.00 -1.95 -0.89 -2.02 0.00 0.00 178.31 173.46 1jsa n ILE 172 N -2.86 1.75 -0.07 1.41 5.41 -1.23 -4.15 119.36 119.63 1jsa n ILE 172 Ca 0.04 -0.68 -0.15 0.00 1.00 0.00 0.00 62.75 62.95 1jsa n ILE 172 Cb 0.85 -1.61 -0.13 0.00 -0.71 0.00 0.00 39.64 38.05 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 0.06 0.01 -0.04 0.38 4.39 0.13 -2.56 114.58 116.95 1jsa h GLU 173 Ca -0.40 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.29 1jsa h GLU 173 Cb 2.03 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1jsa h GLU 173 CO 0.09 1.01 0.78 0.78 -1.16 0.00 0.00 179.01 180.50 1jsa h GLY 174 N -0.98 0.00 0.24 -3.84 0.00 0.25 1.65 103.07 100.39 1jsa h GLY 174 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.93 1jsa h GLY 174 CO -0.02 0.00 -2.25 -1.30 0.00 0.00 0.00 176.54 172.97 1jsa n THR 175 N -2.67 1.49 0.30 4.70 -2.24 -1.22 -4.14 114.28 110.50 1jsa n THR 175 Ca 0.00 -0.77 0.17 0.00 -2.27 0.00 0.00 64.05 61.19 1jsa n THR 175 Cb 0.80 -0.89 0.82 0.00 -2.10 0.00 0.00 70.33 68.96 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.01 0.00 0.00 3.22 7.12 0.28 -3.36 115.31 122.58 1jsa h LEU 176 Ca -0.50 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.51 1jsa h LEU 176 Cb 2.11 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.24 1jsa h LEU 176 CO 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.33 1jsa n ALA 177 N -1.99 0.00 -2.68 1.25 0.00 -0.63 -4.46 120.51 111.99 1jsa n ALA 177 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1jsa n ALA 177 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1jsa n ALA 177 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jsa s ASN 178 N -2.08 6.30 0.21 0.00 0.02 -1.26 -4.85 114.94 113.29 1jsa s ASN 178 Ca 0.00 -0.45 0.06 0.00 -1.02 0.00 0.00 52.86 51.45 1jsa s ASN 178 Cb 0.00 -2.45 0.32 0.00 0.02 0.00 0.00 41.25 39.14 1jsa s ASN 178 CO 0.00 -1.33 0.98 2.29 0.02 0.00 0.00 177.10 179.06 1jsa n LYS 179 N 7.71 0.04 -0.01 -0.60 2.85 -1.26 0.19 118.16 127.07 1jsa n LYS 179 Ca 0.01 0.42 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 1jsa n LYS 179 Cb 0.47 -2.03 0.66 0.00 -0.65 0.00 0.00 35.03 33.48 1jsa n LYS 179 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jsa n GLU 180 N -1.69 1.25 -0.04 -1.58 2.13 -1.26 -4.05 120.64 115.40 1jsa n GLU 180 Ca -0.00 -0.36 -0.01 0.00 0.66 0.00 0.00 57.16 57.44 1jsa n GLU 180 Cb 0.40 -1.42 -0.00 0.00 0.27 0.00 0.00 31.44 30.69 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jsa h ILE 181 N 0.81 0.00 0.00 6.31 2.04 0.17 -3.30 117.51 123.55 1jsa h ILE 181 Ca 0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1jsa h ILE 181 Cb 0.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1jsa h ILE 181 CO 0.00 0.00 0.69 0.17 0.00 0.00 0.00 178.15 179.01 1jsa h LEU 182 N -0.72 0.00 -0.94 1.44 8.10 -1.74 0.98 115.31 122.43 1jsa h LEU 182 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 1jsa h LEU 182 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1jsa h LEU 182 CO 0.00 0.00 -0.40 -0.09 -4.11 0.00 0.00 178.44 173.84 1jsa h ARG 183 N 0.00 0.27 0.01 0.17 2.43 -1.74 0.22 114.38 115.74 1jsa h ARG 183 Ca 0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jsa h ARG 183 Cb 1.39 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1jsa h ARG 183 CO 0.00 0.63 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.01 1jsa h LEU 184 N 0.22 -0.01 0.00 3.80 3.38 0.87 -3.25 115.31 120.32 1jsa h LEU 184 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jsa h LEU 184 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jsa h LEU 184 CO 0.06 0.02 0.00 2.30 0.09 0.00 0.00 178.44 180.92 1jsa n ILE 185 N -2.23 0.00 -1.06 1.22 -6.64 -1.23 -4.83 119.36 104.59 1jsa n ILE 185 Ca -0.00 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.61 1jsa n ILE 185 Cb 0.01 -0.33 0.04 0.00 -1.44 0.00 0.00 39.64 37.92 1jsa n ILE 185 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1jsa n GLN 186 N -0.54 -0.00 -3.54 6.28 -0.00 0.07 -4.97 117.38 114.68 1jsa n GLN 186 Ca 0.01 0.01 -0.29 0.00 -0.00 0.00 0.00 57.00 56.72 1jsa n GLN 186 Cb 0.00 -1.15 -0.13 0.00 -0.00 0.00 0.00 30.24 28.96 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 -2.03 0.96 0.00 2.61 -0.71 -1.26 -5.05 117.98 112.50 1jsa s PHE 187 Ca 0.48 -1.67 0.00 0.00 -1.04 0.00 0.00 56.93 54.70 1jsa s PHE 187 Cb -0.27 -1.15 0.00 0.00 -1.21 0.00 0.00 43.02 40.39 1jsa s PHE 187 CO 0.76 -0.82 0.00 -1.91 -1.34 0.00 0.00 175.22 171.90