#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 -0.58 -4.99 1.61 4.13 -1.26 -5.17 115.26 109.01 1jsa n ASN 2 Ca 0.00 -1.86 -0.20 0.00 1.68 0.00 0.00 54.58 54.21 1jsa n ASN 2 Cb 0.00 1.10 0.02 0.00 -1.54 0.00 0.00 39.78 39.36 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1jsa s SER 3 N -1.97 5.59 0.04 6.41 0.01 -1.26 -5.12 113.70 117.39 1jsa s SER 3 Ca 0.13 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.25 1jsa s SER 3 Cb -0.00 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 1jsa s SER 3 CO 0.10 -0.84 -0.03 -0.75 0.41 0.00 0.00 173.24 172.12 1jsa s LYS 4 N -4.50 0.52 -0.38 12.44 2.20 -1.26 -5.12 119.74 123.64 1jsa s LYS 4 Ca 0.53 -1.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1jsa s LYS 4 Cb -0.10 0.15 0.15 0.00 -1.51 0.00 0.00 37.83 36.52 1jsa s LYS 4 CO 0.35 -0.08 0.30 -1.54 -0.36 0.00 0.00 175.35 174.02 1jsa s SER 5 N -2.40 2.00 0.00 1.43 1.04 -1.26 -4.94 113.70 109.56 1jsa s SER 5 Ca -0.01 -2.24 0.00 0.00 0.48 0.00 0.00 55.95 54.18 1jsa s SER 5 Cb 0.01 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1jsa s SER 5 CO -0.06 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1jsa n GLY 6 N 3.76 -0.16 1.13 7.32 0.00 -1.26 -4.84 105.19 111.14 1jsa n GLY 6 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.32 3.08 -1.28 4.61 0.00 -1.26 -4.94 120.51 118.40 1jsa n ALA 7 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1jsa n ALA 7 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N 0.13 -2.33 0.00 0.00 -0.00 -1.26 -4.56 117.00 108.98 1jsa n LEU 8 Ca 0.11 0.87 0.00 0.00 -0.00 0.00 0.00 56.01 56.99 1jsa n LEU 8 Cb 0.67 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1jsa n LEU 8 CO 0.12 -3.72 0.00 -0.24 -0.00 0.00 0.00 177.39 173.55 1jsa n SER 9 N 2.16 0.00 0.05 1.45 2.88 -1.26 -4.90 113.62 114.00 1jsa n SER 9 Ca 0.13 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1jsa n SER 9 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.74 1jsa n SER 9 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1jsa h LYS 10 N 0.00 0.00 0.18 -1.46 2.10 -1.99 -2.95 116.57 112.45 1jsa h LYS 10 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1jsa h LYS 10 Cb 0.00 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.36 1jsa h LYS 10 CO 0.00 0.22 -1.04 1.49 -2.00 0.00 0.00 179.45 178.12 1jsa h GLU 11 N 0.00 0.38 0.16 0.07 4.57 -1.92 -3.22 114.58 114.62 1jsa h GLU 11 Ca -0.12 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.40 1jsa h GLU 11 Cb 1.45 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1jsa h GLU 11 CO 0.04 1.31 -0.08 0.82 -1.18 0.00 0.00 179.01 179.92 1jsa h ILE 12 N -0.21 0.97 -1.19 2.32 2.04 -1.94 -2.89 117.51 116.62 1jsa h ILE 12 Ca -0.18 -0.94 0.34 0.00 1.00 0.00 0.00 64.86 65.07 1jsa h ILE 12 Cb 1.82 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 1jsa h ILE 12 CO 0.19 0.21 0.82 -0.07 0.00 0.00 0.00 178.15 179.30 1jsa h LEU 13 N -0.70 0.14 -1.00 1.44 3.38 -1.67 1.95 115.31 118.85 1jsa h LEU 13 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jsa h LEU 13 Cb 0.50 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jsa h LEU 13 CO 0.04 0.01 0.42 -0.08 0.09 0.00 0.00 178.44 178.92 1jsa h GLU 14 N 0.11 0.00 -0.00 1.13 4.81 -1.51 2.94 114.58 122.07 1jsa h GLU 14 Ca 0.60 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 1jsa h GLU 14 Cb 2.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.52 1jsa h GLU 14 CO -0.12 0.00 -0.37 0.39 -0.73 0.00 0.00 179.01 178.19 1jsa n GLU 15 N -2.28 0.12 -0.50 1.92 -0.58 0.66 -4.18 120.64 115.81 1jsa n GLU 15 Ca -0.01 -0.06 0.42 0.00 -0.42 0.00 0.00 57.16 57.08 1jsa n GLU 15 Cb 0.44 -1.50 0.70 0.00 -0.57 0.00 0.00 31.44 30.51 1jsa n GLU 15 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1jsa h LEU 16 N 0.15 0.18 -0.10 -4.62 -0.00 0.52 0.55 115.31 111.98 1jsa h LEU 16 Ca 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1jsa h LEU 16 Cb 0.49 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1jsa h LEU 16 CO 0.00 -0.23 -0.07 -0.61 -0.00 0.00 0.00 178.44 177.53 1jsa h GLN 17 N 0.01 0.23 0.00 0.17 4.15 -1.77 -2.79 115.11 115.11 1jsa h GLN 17 Ca 0.89 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 60.20 1jsa h GLN 17 Cb 2.93 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.62 1jsa h GLN 17 CO -0.42 0.60 0.00 1.28 -1.93 0.00 0.00 178.83 178.37 1jsa n LEU 18 N -4.69 0.00 0.00 -2.39 4.77 0.18 -4.68 117.00 110.19 1jsa n LEU 18 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1jsa n LEU 18 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1jsa n LEU 18 CO 0.37 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.97 1jsa n ASN 19 N -0.51 0.00 -4.60 -1.43 6.94 -0.45 -4.87 115.26 110.34 1jsa n ASN 19 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.14 1jsa n ASN 19 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1jsa n ASN 19 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jsa s THR 20 N 0.00 3.62 0.31 5.53 2.01 -1.18 -3.93 115.64 121.99 1jsa s THR 20 Ca 0.00 0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 1jsa s THR 20 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1jsa s THR 20 CO 0.00 -0.55 0.53 -0.54 -0.69 0.00 0.00 174.62 173.37 1jsa s LYS 21 N 5.45 3.54 1.32 4.92 1.02 -1.26 -5.00 119.74 129.74 1jsa s LYS 21 Ca 0.73 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 56.32 1jsa s LYS 21 Cb -0.19 -2.68 0.34 0.00 -0.52 0.00 0.00 37.83 34.78 1jsa s LYS 21 CO 0.33 0.20 0.97 -0.06 -0.92 0.00 0.00 175.35 175.87 1jsa s PHE 22 N -2.18 0.20 -0.87 3.18 0.40 -1.26 -4.61 117.98 112.84 1jsa s PHE 22 Ca 0.41 0.81 -0.28 0.00 -0.60 0.00 0.00 56.93 57.27 1jsa s PHE 22 Cb -0.10 -2.98 -0.19 0.00 0.51 0.00 0.00 43.02 40.26 1jsa s PHE 22 CO 0.33 -4.56 2.58 0.25 0.70 0.00 0.00 175.22 174.52 1jsa n THR 23 N -5.36 -0.02 -0.34 0.64 -2.24 -1.26 -4.64 114.28 101.05 1jsa n THR 23 Ca 0.08 -0.25 0.28 0.00 -2.27 0.00 0.00 64.05 61.89 1jsa n THR 23 Cb 0.58 -1.07 0.46 0.00 -2.10 0.00 0.00 70.33 68.20 1jsa n THR 23 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1jsa n GLU 24 N 8.41 -0.02 0.00 -0.78 0.00 -1.26 0.26 120.64 127.25 1jsa n GLU 24 Ca 0.59 0.78 0.00 0.00 0.00 0.00 0.00 57.16 58.52 1jsa n GLU 24 Cb 0.18 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1jsa n GLU 24 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jsa n GLU 25 N -3.79 0.00 -0.01 3.44 4.07 -1.26 0.13 120.64 123.23 1jsa n GLU 25 Ca 0.27 0.28 -0.15 0.00 -0.06 0.00 0.00 57.16 57.49 1jsa n GLU 25 Cb 1.08 -1.72 -0.14 0.00 -0.06 0.00 0.00 31.44 30.60 1jsa n GLU 25 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1jsa n GLU 26 N -1.27 0.70 0.00 5.31 -0.58 0.74 -3.79 120.64 121.75 1jsa n GLU 26 Ca 0.00 0.28 0.03 0.00 -0.42 0.00 0.00 57.16 57.05 1jsa n GLU 26 Cb 0.22 -1.75 0.17 0.00 -0.57 0.00 0.00 31.44 29.50 1jsa n GLU 26 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jsa n LEU 27 N -3.27 0.00 0.00 -4.62 4.32 0.35 -3.70 117.00 110.07 1jsa n LEU 27 Ca -0.24 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.75 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 0.44 0.00 0.00 -0.24 -1.22 0.00 0.00 177.39 176.37 1jsa n SER 28 N -0.75 0.00 0.00 -1.43 2.88 -1.22 -4.23 113.62 108.87 1jsa n SER 28 Ca 0.04 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1jsa n SER 28 Cb 0.02 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1jsa n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jsa n SER 29 N -1.39 0.00 -0.08 -3.46 7.64 -1.25 -2.41 113.62 112.67 1jsa n SER 29 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1jsa n SER 29 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1jsa n SER 29 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1jsa n TRP 30 N -0.52 0.94 0.27 1.43 -0.00 -1.24 -3.86 117.44 114.46 1jsa n TRP 30 Ca 0.00 0.41 0.14 0.00 -0.00 0.00 0.00 57.50 58.05 1jsa n TRP 30 Cb 0.00 -0.87 0.65 0.00 -0.00 0.00 0.00 31.31 31.08 1jsa n TRP 30 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1jsa h TYR 31 N -1.00 0.00 0.00 5.87 -0.00 -1.65 -2.49 116.97 117.70 1jsa h TYR 31 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.61 1jsa h TYR 31 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.50 1jsa h TYR 31 CO -0.12 0.00 0.00 0.94 -0.00 0.00 0.00 178.16 178.98 1jsa n GLN 32 N -2.97 0.00 0.29 0.10 7.27 -1.26 -2.00 117.38 118.82 1jsa n GLN 32 Ca 0.01 0.50 0.07 0.00 0.07 0.00 0.00 57.00 57.64 1jsa n GLN 32 Cb 0.58 -1.03 0.27 0.00 2.41 0.00 0.00 30.24 32.47 1jsa n GLN 32 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1jsa h SER 33 N 0.00 0.00 0.31 1.69 0.02 -1.61 2.08 113.55 116.04 1jsa h SER 33 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1jsa h SER 33 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1jsa h SER 33 CO 0.00 0.00 -1.60 0.15 -1.14 0.00 0.00 176.83 174.24 1jsa h PHE 34 N 0.00 0.69 -0.46 3.45 3.57 -1.51 -3.19 116.94 119.49 1jsa h PHE 34 Ca 0.04 -0.51 0.13 0.00 3.53 0.00 0.00 57.97 61.17 1jsa h PHE 34 Cb 1.67 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1jsa h PHE 34 CO 0.00 1.54 0.45 -0.07 -2.23 0.00 0.00 178.31 178.01 1jsa h LEU 35 N 0.10 0.00 0.01 0.59 3.38 0.40 0.21 115.31 120.01 1jsa h LEU 35 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jsa h LEU 35 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1jsa h LEU 35 CO 0.20 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 179.22 1jsa h LYS 36 N 0.00 -0.01 0.00 1.13 3.64 -1.48 -1.16 116.57 118.68 1jsa h LYS 36 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1jsa h LYS 36 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1jsa h LYS 36 CO -0.00 0.16 0.00 0.39 -2.27 0.00 0.00 179.45 177.73 1jsa n GLU 37 N -5.01 0.01 -3.13 1.90 1.02 0.71 -4.30 120.64 111.82 1jsa n GLU 37 Ca -0.08 0.38 0.04 0.00 -0.02 0.00 0.00 57.16 57.48 1jsa n GLU 37 Cb 0.11 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 5.12 0.14 0.00 0.00 -0.02 -0.55 -3.89 135.00 135.81 1jsa n PRO 39 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1jsa n PRO 39 Cb 0.56 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.73 0.00 0.00 2.55 2.88 -1.26 -5.08 113.62 111.98 1jsa n SER 40 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1jsa n SER 40 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 3.26 0.00 2.72 0.46 0.00 -1.25 -5.07 105.19 105.31 1jsa n GLY 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.05 0.11 1.61 0.52 -1.26 -4.18 118.95 115.79 1jsa s ARG 42 Ca 0.00 0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 55.21 1jsa s ARG 42 Cb 0.00 -0.95 -0.06 0.00 0.52 0.00 0.00 34.95 34.46 1jsa s ARG 42 CO 0.00 -0.48 0.86 0.42 0.02 0.00 0.00 175.30 176.12 1jsa s ILE 43 N 2.23 4.52 0.57 1.52 1.01 -0.58 -4.87 121.20 125.59 1jsa s ILE 43 Ca 0.04 1.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.47 1jsa s ILE 43 Cb -0.14 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1jsa s ILE 43 CO -0.07 0.38 0.94 0.42 0.00 0.00 0.00 174.94 176.61 1jsa s THR 44 N -0.30 4.78 0.17 2.92 -4.23 -1.26 -2.53 115.64 115.18 1jsa s THR 44 Ca 0.42 0.63 0.21 0.00 -1.18 0.00 0.00 61.69 61.77 1jsa s THR 44 Cb -0.23 -3.87 0.18 0.00 1.34 0.00 0.00 72.50 69.93 1jsa s THR 44 CO 0.27 -1.04 1.79 -0.09 -0.54 0.00 0.00 174.62 175.01 1jsa h ARG 45 N -0.12 0.00 0.16 3.99 2.43 -1.97 -2.00 114.38 116.87 1jsa h ARG 45 Ca -0.45 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.43 1jsa h ARG 45 Cb 1.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1jsa h ARG 45 CO 0.62 0.30 -1.30 -0.56 -1.51 0.00 0.00 179.97 177.52 1jsa h GLN 46 N 0.00 0.36 0.00 0.20 3.07 -1.98 -3.28 115.11 113.48 1jsa h GLN 46 Ca -0.00 -0.60 -0.10 0.00 0.09 0.00 0.00 58.65 58.03 1jsa h GLN 46 Cb 0.80 0.22 -0.01 0.00 0.08 0.00 0.00 27.48 28.57 1jsa h GLN 46 CO 0.04 1.28 -0.50 1.49 0.09 0.00 0.00 178.83 181.23 1jsa h GLU 47 N 0.10 0.00 -1.16 0.06 4.81 -1.92 -3.21 114.58 113.26 1jsa h GLU 47 Ca -0.17 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.40 1jsa h GLU 47 Cb 2.01 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.28 1jsa h GLU 47 CO 0.22 0.50 0.75 0.35 -0.73 0.00 0.00 179.01 180.10 1jsa h PHE 48 N 0.00 0.57 -0.56 0.92 3.04 -1.42 0.67 116.94 120.17 1jsa h PHE 48 Ca -0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1jsa h PHE 48 Cb 1.19 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 1jsa h PHE 48 CO 0.00 -0.05 0.33 1.96 -2.02 0.00 0.00 178.31 178.52 1jsa h GLN 49 N 0.25 0.75 -0.20 1.11 4.20 -1.74 -1.83 115.11 117.65 1jsa h GLN 49 Ca 0.69 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 59.30 1jsa h GLN 49 Cb 1.98 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 1jsa h GLN 49 CO -0.34 0.53 -0.01 1.15 -0.67 0.00 0.00 178.83 179.50 1jsa h THR 50 N 0.76 1.14 -0.11 -0.54 2.02 0.14 0.47 112.91 116.80 1jsa h THR 50 Ca 0.20 -0.53 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1jsa h THR 50 Cb -0.02 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jsa h THR 50 CO -0.04 0.18 -0.38 0.40 0.37 0.00 0.00 175.52 176.05 1jsa h ILE 51 N 0.28 1.38 0.00 3.11 2.04 -1.31 -3.10 117.51 119.92 1jsa h ILE 51 Ca 0.07 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1jsa h ILE 51 Cb 0.22 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1jsa h ILE 51 CO 0.01 0.51 -0.06 0.00 0.00 0.00 0.00 178.15 178.60 1jsa n TYR 52 N -4.35 0.14 1.42 1.37 9.36 -1.03 -3.04 117.16 121.04 1jsa n TYR 52 Ca -0.08 0.04 0.13 0.00 3.32 0.00 0.00 57.90 61.31 1jsa n TYR 52 Cb 0.53 -0.54 0.49 0.00 -0.63 0.00 0.00 39.34 39.18 1jsa n TYR 52 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1jsa n SER 53 N -1.62 1.53 0.01 2.98 2.88 0.16 -3.50 113.62 116.05 1jsa n SER 53 Ca 0.07 -1.56 -0.19 0.00 -1.33 0.00 0.00 58.87 55.86 1jsa n SER 53 Cb 0.35 -0.03 -0.14 0.00 -0.75 0.00 0.00 64.21 63.64 1jsa n SER 53 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jsa h LYS 54 N 2.27 0.22 0.00 -1.46 1.63 -1.49 -3.13 116.57 114.61 1jsa h LYS 54 Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1jsa h LYS 54 Cb 0.49 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1jsa h LYS 54 CO 0.00 1.07 -0.48 1.19 -3.45 0.00 0.00 179.45 177.78 1jsa n PHE 55 N -3.40 0.02 -2.99 1.91 3.72 -1.25 -4.37 117.46 111.10 1jsa n PHE 55 Ca -0.28 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.98 1jsa n PHE 55 Cb 1.05 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 39.32 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N -1.52 -0.23 0.16 1.38 3.72 -1.23 -4.92 117.46 114.82 1jsa n PHE 56 Ca 0.05 -3.27 0.02 0.00 -0.05 0.00 0.00 57.45 54.21 1jsa n PHE 56 Cb 0.34 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.25 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N 2.95 0.09 -0.19 -1.08 0.13 -1.74 -3.28 132.00 128.88 1jsa h PRO 57 Ca 0.01 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1jsa h PRO 57 Cb 1.05 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1jsa h PRO 57 CO 0.42 0.38 -0.14 0.93 -0.23 0.00 0.00 178.00 179.36 1jsa h GLU 58 N 0.08 -0.03 0.00 0.86 5.08 -1.91 -3.42 114.58 115.25 1jsa h GLU 58 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jsa h GLU 58 Cb 0.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jsa h GLU 58 CO 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1jsa n ALA 59 N -2.98 0.00 -3.20 3.43 0.00 -1.24 -4.94 120.51 111.58 1jsa n ALA 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1jsa n ALA 59 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 0.60 -0.49 0.00 8.00 -1.22 -4.94 116.55 118.51 1jsa n ASP 60 Ca 0.00 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.69 1jsa n ASP 60 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 1.19 0.17 -0.30 -0.24 -0.05 -1.26 -3.77 135.00 130.73 1jsa n PRO 61 Ca 0.22 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.71 1jsa n PRO 61 Cb 0.54 -1.08 0.17 0.00 -0.05 0.00 0.00 33.50 33.08 1jsa n PRO 61 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 175.50 175.23 1jsa h LYS 62 N 0.81 0.79 0.00 0.54 3.64 -1.93 1.85 116.57 122.27 1jsa h LYS 62 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1jsa h LYS 62 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1jsa h LYS 62 CO 0.00 0.52 -0.28 0.00 -2.27 0.00 0.00 179.45 177.43 1jsa h ALA 63 N 1.46 0.90 0.07 5.00 0.00 -1.87 -3.00 119.26 121.81 1jsa h ALA 63 Ca 0.41 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 1jsa h ALA 63 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1jsa h ALA 63 CO -0.25 0.35 -1.84 -0.92 0.00 0.00 0.00 179.25 176.59 1jsa h TYR 64 N 0.00 0.27 0.00 0.00 3.20 -1.15 -3.30 116.97 115.99 1jsa h TYR 64 Ca -0.00 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1jsa h TYR 64 Cb 1.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1jsa h TYR 64 CO 0.00 1.42 0.00 0.00 -1.64 0.00 0.00 178.16 177.94 1jsa h ALA 65 N 0.51 1.00 0.00 1.82 0.00 0.27 -1.84 119.26 121.02 1jsa h ALA 65 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jsa h ALA 65 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1jsa h ALA 65 CO 0.09 0.00 -0.65 1.04 0.00 0.00 0.00 179.25 179.73 1jsa n GLN 66 N -2.91 0.25 0.02 0.00 6.02 -1.13 -4.03 117.38 115.59 1jsa n GLN 66 Ca 0.00 0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 1jsa n GLN 66 Cb 0.26 -1.65 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 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 0.45 0.00 1.08 3.86 -1.41 -3.20 115.15 115.93 1jsa h HIS 67 Ca 0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1jsa h HIS 67 Cb 0.70 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1jsa h HIS 67 CO 0.00 1.31 0.26 0.28 0.86 0.00 0.00 177.93 180.64 1jsa n VAL 68 N -4.17 0.94 0.00 2.45 0.31 -1.14 -1.82 118.33 114.90 1jsa n VAL 68 Ca -0.15 0.50 -0.00 0.00 -0.01 0.00 0.00 64.34 64.68 1jsa n VAL 68 Cb 0.78 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1jsa n VAL 68 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1jsa h PHE 69 N 0.00 -0.00 -0.19 3.52 3.57 -1.75 -3.13 116.94 118.95 1jsa h PHE 69 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1jsa h PHE 69 Cb 0.53 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1jsa h PHE 69 CO 0.00 -0.00 0.78 -0.09 -2.23 0.00 0.00 178.31 176.77 1jsa h ARG 70 N -0.01 0.00 -0.98 1.11 9.65 -1.54 0.58 114.38 123.19 1jsa h ARG 70 Ca -0.00 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 1jsa h ARG 70 Cb 0.00 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.50 1jsa h ARG 70 CO 0.00 0.00 0.62 0.66 2.80 0.00 0.00 179.97 184.05 1jsa h SER 71 N 0.00 0.91 0.00 -3.80 4.64 -1.48 -3.38 113.55 110.44 1jsa h SER 71 Ca 0.09 0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.23 1jsa h SER 71 Cb 1.65 -0.15 -0.14 0.00 -0.31 0.00 0.00 62.40 63.44 1jsa h SER 71 CO -0.00 0.51 -0.34 0.33 -0.87 0.00 0.00 176.83 176.46 1jsa n PHE 72 N -4.58 -2.40 -1.99 4.77 7.35 0.20 -4.54 117.46 116.27 1jsa n PHE 72 Ca 0.18 -1.86 -0.00 0.00 -0.76 0.00 0.00 57.45 55.00 1jsa n PHE 72 Cb 0.32 1.56 -0.00 0.00 0.35 0.00 0.00 39.48 41.71 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 0.24 -0.05 -1.37 -2.13 2.03 -0.99 -4.91 116.55 109.36 1jsa n ASP 73 Ca 0.02 -1.03 -0.05 0.00 0.52 0.00 0.00 54.79 54.24 1jsa n ASP 73 Cb 0.73 0.01 0.22 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 4.31 0.18 -1.67 0.00 -1.26 -3.85 120.51 118.22 1jsa n ALA 74 Ca -0.01 -2.87 -0.11 0.00 0.00 0.00 0.00 53.44 50.45 1jsa n ALA 74 Cb 0.50 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1jsa n ALA 74 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jsa h ASN 75 N 1.31 -0.44 0.00 0.00 -1.07 -1.96 -3.46 115.58 109.96 1jsa h ASN 75 Ca 0.26 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.51 1jsa h ASN 75 Cb 1.89 0.11 0.00 0.00 -2.07 0.00 0.00 38.32 38.26 1jsa h ASN 75 CO 0.52 -0.01 0.00 -0.24 0.07 0.00 0.00 177.43 177.77 1jsa n SER 76 N -5.14 0.00 -0.05 6.14 2.88 -1.26 -5.00 113.62 111.19 1jsa n SER 76 Ca -0.09 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.24 1jsa n SER 76 Cb 0.27 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.60 1jsa n SER 76 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jsa n ASP 77 N 0.00 2.03 0.00 -3.46 8.00 -1.26 -4.95 116.55 116.91 1jsa n ASP 77 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1jsa n ASP 77 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jsa n GLY 78 N 1.83 2.39 3.11 0.44 0.00 -1.25 -4.95 105.19 106.76 1jsa n GLY 78 Ca -0.35 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.19 0.17 -0.24 2.61 -4.23 -1.26 -4.65 115.64 104.84 1jsa s THR 79 Ca 0.00 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 1jsa s THR 79 Cb 0.00 -1.20 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1jsa s THR 79 CO 0.00 -0.78 0.23 -0.76 -0.54 0.00 0.00 174.62 172.77 1jsa s LEU 80 N -2.56 4.09 0.43 4.79 1.43 -1.05 -4.89 118.68 120.92 1jsa s LEU 80 Ca 0.01 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1jsa s LEU 80 Cb 0.03 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1jsa s LEU 80 CO -0.08 -0.01 0.71 -1.81 0.23 0.00 0.00 176.35 175.39 1jsa s ASP 81 N 1.27 6.28 0.28 2.29 1.11 -1.26 -1.53 116.67 125.10 1jsa s ASP 81 Ca 0.10 0.78 0.01 0.00 0.18 0.00 0.00 52.55 53.62 1jsa s ASP 81 Cb -0.14 -2.18 0.58 0.00 1.07 0.00 0.00 42.92 42.25 1jsa s ASP 81 CO 0.07 -0.48 1.79 0.15 1.18 0.00 0.00 175.17 177.89 1jsa h PHE 82 N 0.45 0.98 0.17 4.23 3.57 -1.93 0.55 116.94 124.94 1jsa h PHE 82 Ca -0.48 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1jsa h PHE 82 Cb 1.21 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1jsa h PHE 82 CO 0.56 0.30 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.61 1jsa h LYS 83 N 0.79 -0.25 0.00 1.11 3.64 -1.93 -1.69 116.57 118.24 1jsa h LYS 83 Ca 0.50 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1jsa h LYS 83 Cb 0.64 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1jsa h LYS 83 CO -0.33 -0.17 -0.09 1.05 -2.27 0.00 0.00 179.45 177.64 1jsa h GLU 84 N -0.26 0.00 0.04 1.90 4.11 -1.78 -3.20 114.58 115.39 1jsa h GLU 84 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jsa h GLU 84 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jsa h GLU 84 CO 0.01 0.09 -0.02 -0.92 0.07 0.00 0.00 179.01 178.24 1jsa h TYR 85 N 0.00 -0.05 -0.10 2.06 3.20 0.69 -2.78 116.97 119.99 1jsa h TYR 85 Ca -0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1jsa h TYR 85 Cb 0.76 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 1jsa h TYR 85 CO 0.00 0.20 -0.42 0.28 -1.64 0.00 0.00 178.16 176.58 1jsa h VAL 86 N -0.29 0.15 -0.90 1.81 2.07 -1.32 0.40 116.25 118.16 1jsa h VAL 86 Ca -0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1jsa h VAL 86 Cb 0.27 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.05 1jsa h VAL 86 CO 0.01 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.30 1jsa h ILE 87 N -0.50 0.32 0.34 4.57 2.04 -1.62 2.31 117.51 124.96 1jsa h ILE 87 Ca 0.07 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jsa h ILE 87 Cb 0.63 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1jsa h ILE 87 CO -0.38 0.04 -0.16 0.00 0.00 0.00 0.00 178.15 177.65 1jsa h ALA 88 N 1.79 -0.58 -0.53 1.87 0.00 -0.71 0.18 119.26 121.29 1jsa h ALA 88 Ca 0.58 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.50 1jsa h ALA 88 Cb 1.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1jsa h ALA 88 CO -0.64 -0.55 0.36 1.25 0.00 0.00 0.00 179.25 179.67 1jsa h LEU 89 N -0.85 0.25 0.28 0.00 7.12 0.32 -2.56 115.31 119.87 1jsa h LEU 89 Ca -0.05 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 1jsa h LEU 89 Cb 0.35 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1jsa h LEU 89 CO 0.08 0.15 -0.13 -0.74 -0.13 0.00 0.00 178.44 177.66 1jsa h HIS 90 N 0.28 -0.35 -1.47 1.25 2.76 0.38 -3.21 115.15 114.79 1jsa h HIS 90 Ca 0.25 -0.01 0.44 0.00 -2.20 0.00 0.00 60.37 58.85 1jsa h HIS 90 Cb 0.60 0.12 -0.09 0.00 1.55 0.00 0.00 27.41 29.58 1jsa h HIS 90 CO -0.00 -0.13 1.02 1.98 -1.30 0.00 0.00 177.93 179.50 1jsa h MET 91 N -1.06 0.06 -0.30 5.26 1.85 -0.73 1.71 114.93 121.72 1jsa h MET 91 Ca -0.04 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.03 1jsa h MET 91 Cb 0.37 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.37 1jsa h MET 91 CO 0.06 0.04 0.12 1.15 -0.40 0.00 0.00 176.91 177.88 1jsa h THR 92 N 0.06 1.12 -0.02 -0.77 2.02 -1.46 -1.75 112.91 112.12 1jsa h THR 92 Ca 0.77 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1jsa h THR 92 Cb 2.79 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1jsa h THR 92 CO -0.16 0.14 -0.35 -1.54 0.37 0.00 0.00 175.52 173.98 1jsa n SER 93 N -4.41 2.09 -3.47 4.18 3.41 0.57 -4.57 113.62 111.41 1jsa n SER 93 Ca 0.01 -1.54 -0.27 0.00 -0.26 0.00 0.00 58.87 56.82 1jsa n SER 93 Cb 0.13 0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa n ALA 94 N 0.17 3.64 -1.79 7.33 0.00 -0.25 -5.05 120.51 124.56 1jsa n ALA 94 Ca 0.11 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 49.11 1jsa n ALA 94 Cb 0.48 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.22 1.60 7.00 0.00 0.00 -1.23 -4.74 105.19 109.04 1jsa n GLY 95 Ca 0.27 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1jsa n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jsa n LYS 96 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.64 118.16 113.87 1jsa n LYS 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1jsa n LYS 96 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jsa n LYS 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1jsa n THR 97 N 0.00 0.00 -1.49 3.15 -1.04 -1.26 -4.54 114.28 109.10 1jsa n THR 97 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1jsa n THR 97 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1jsa n THR 97 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jsa n ASN 98 N 0.00 -2.26 -1.50 8.00 4.13 -1.26 -4.22 115.26 118.14 1jsa n ASN 98 Ca 0.00 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1jsa n ASN 98 Cb 0.00 -2.23 0.00 0.00 -1.54 0.00 0.00 39.78 36.01 1jsa n ASN 98 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jsa n GLN 99 N -1.77 -4.25 0.00 3.52 3.00 -1.26 -4.50 117.38 112.12 1jsa n GLN 99 Ca -0.08 3.10 0.00 0.00 -0.01 0.00 0.00 57.00 60.01 1jsa n GLN 99 Cb 0.33 -3.44 0.00 0.00 0.00 0.00 0.00 30.24 27.13 1jsa n GLN 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1jsa n LYS 100 N -0.11 0.00 -0.05 -1.09 4.81 -1.26 -4.82 118.16 115.64 1jsa n LYS 100 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1jsa n LYS 100 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1jsa h LEU 101 N 0.00 -0.47 -0.22 3.14 3.38 -1.90 -2.27 115.31 116.97 1jsa h LEU 101 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1jsa h LEU 101 Cb 0.00 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1jsa h LEU 101 CO 0.00 -0.09 -0.14 -0.33 0.09 0.00 0.00 178.44 177.97 1jsa h GLU 102 N -0.07 -0.01 -1.26 1.13 5.08 -1.96 0.80 114.58 118.28 1jsa h GLU 102 Ca 0.02 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.75 1jsa h GLU 102 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1jsa h GLU 102 CO -0.16 -0.01 1.22 2.35 -1.00 0.00 0.00 179.01 181.41 1jsa h TRP 103 N -0.01 0.00 -0.04 4.33 2.91 -1.92 0.50 115.95 121.72 1jsa h TRP 103 Ca 0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1jsa h TRP 103 Cb 0.10 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1jsa h TRP 103 CO -0.93 0.00 -0.02 0.00 -1.03 0.00 0.00 178.44 176.47 1jsa h ALA 104 N 0.74 0.06 0.00 2.65 0.00 0.12 -2.66 119.26 120.17 1jsa h ALA 104 Ca 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jsa h ALA 104 Cb 3.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.82 1jsa h ALA 104 CO -0.01 -0.22 0.17 0.34 0.00 0.00 0.00 179.25 179.54 1jsa n PHE 105 N -4.83 0.01 -0.01 0.00 -0.00 0.18 -1.43 117.46 111.37 1jsa n PHE 105 Ca -0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.21 1jsa n PHE 105 Cb 0.23 -0.34 -0.14 0.00 -0.00 0.00 0.00 39.48 39.23 1jsa n PHE 105 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1jsa h SER 106 N 0.00 0.22 0.61 -2.13 0.02 -1.51 -3.00 113.55 107.76 1jsa h SER 106 Ca 0.00 -0.98 -0.02 0.00 -0.84 0.00 0.00 61.79 59.95 1jsa h SER 106 Cb 0.34 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1jsa h SER 106 CO 0.00 1.19 -0.40 0.25 -1.14 0.00 0.00 176.83 176.72 1jsa h LEU 107 N -0.71 -1.03 -2.04 5.07 6.46 -1.35 -2.04 115.31 119.68 1jsa h LEU 107 Ca -0.07 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 57.85 1jsa h LEU 107 Cb 1.30 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1jsa h LEU 107 CO 0.07 -0.61 0.26 1.88 -0.62 0.00 0.00 178.44 179.42 1jsa h TYR 108 N -0.97 0.00 -0.51 1.25 -1.99 -1.72 -3.08 116.97 109.95 1jsa h TYR 108 Ca -0.07 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 59.94 1jsa h TYR 108 Cb 0.79 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.46 1jsa h TYR 108 CO -0.12 0.00 2.93 -3.47 -0.00 0.00 0.00 178.16 177.50 1jsa n ASP 109 N -4.29 5.99 0.00 3.88 -0.08 -0.76 -4.67 116.55 116.62 1jsa n ASP 109 Ca 0.05 -2.89 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 1jsa n ASP 109 Cb 0.43 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.35 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 3.78 0.00 -0.25 5.18 0.31 -1.16 -1.43 118.33 124.76 1jsa n VAL 110 Ca 0.57 1.24 0.03 0.00 -0.01 0.00 0.00 64.34 66.18 1jsa n VAL 110 Cb 0.32 -1.79 0.12 0.00 -0.91 0.00 0.00 33.84 31.58 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 -0.54 -0.91 4.52 2.03 -1.92 -3.47 116.42 116.13 1jsa h ASP 111 Ca 0.00 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1jsa h ASP 111 Cb 0.00 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1jsa h ASP 111 CO 0.00 -0.22 0.00 0.61 -1.03 0.00 0.00 179.24 178.60 1jsa n GLY 112 N -1.46 0.30 1.09 7.15 0.00 -0.51 -5.05 105.19 106.70 1jsa n GLY 112 Ca 0.12 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.16 0.49 -1.31 1.61 6.94 -1.26 -4.97 115.26 116.60 1jsa n ASN 113 Ca 0.00 -1.96 -0.16 0.00 -0.02 0.00 0.00 54.58 52.44 1jsa n ASN 113 Cb 0.01 -0.21 -0.07 0.00 -2.36 0.00 0.00 39.78 37.15 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsa n GLY 114 N 0.28 1.50 3.20 4.83 0.00 -1.26 -4.91 105.19 108.82 1jsa n GLY 114 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -2.32 -0.33 0.35 2.61 -4.23 -1.26 -3.70 115.64 106.76 1jsa s THR 115 Ca 0.00 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1jsa s THR 115 Cb 0.00 -0.58 -0.06 0.00 1.34 0.00 0.00 72.50 73.21 1jsa s THR 115 CO 0.00 0.07 0.66 -0.63 -0.54 0.00 0.00 174.62 174.17 1jsa s ILE 116 N 2.02 4.92 -0.07 2.99 1.01 0.20 -4.86 121.20 127.41 1jsa s ILE 116 Ca -0.05 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1jsa s ILE 116 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1jsa s ILE 116 CO -0.12 -0.44 0.18 -0.94 0.00 0.00 0.00 174.94 173.62 1jsa s SER 117 N -3.22 -0.18 0.66 3.58 1.04 -1.26 -1.72 113.70 112.60 1jsa s SER 117 Ca 0.47 0.36 0.08 0.00 0.48 0.00 0.00 55.95 57.33 1jsa s SER 117 Cb -0.10 0.33 0.42 0.00 0.10 0.00 0.00 66.02 66.76 1jsa s SER 117 CO 0.31 -0.09 1.23 0.07 0.98 0.00 0.00 173.24 175.75 1jsa h LYS 118 N 6.24 0.00 0.03 4.02 5.09 -1.89 0.57 116.57 130.62 1jsa h LYS 118 Ca -0.30 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.44 1jsa h LYS 118 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 1jsa h LYS 118 CO 0.40 0.00 -0.01 -2.95 -2.09 0.00 0.00 179.45 174.80 1jsa h ASN 119 N 0.00 -0.03 -0.50 7.07 7.08 -1.97 -1.74 115.58 125.49 1jsa h ASN 119 Ca 0.00 -0.40 -0.11 0.00 -3.08 0.00 0.00 56.30 52.71 1jsa h ASN 119 Cb 1.66 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.89 1jsa h ASN 119 CO 0.00 0.39 -0.10 -0.33 -2.08 0.00 0.00 177.43 175.30 1jsa h GLU 120 N -0.45 0.98 -0.89 4.14 5.08 -0.24 -2.77 114.58 120.43 1jsa h GLU 120 Ca -0.00 -0.35 0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1jsa h GLU 120 Cb 0.43 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 1jsa h GLU 120 CO 0.01 1.03 0.51 0.28 -1.00 0.00 0.00 179.01 179.83 1jsa h VAL 121 N 0.88 0.80 -0.61 3.13 2.07 -1.30 -1.15 116.25 120.07 1jsa h VAL 121 Ca 0.14 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1jsa h VAL 121 Cb 0.65 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1jsa h VAL 121 CO 0.05 0.14 0.19 -0.07 0.02 0.00 0.00 177.57 177.89 1jsa h LEU 122 N 0.75 0.13 0.49 2.57 3.38 -1.01 -0.22 115.31 121.40 1jsa h LEU 122 Ca 0.47 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 1jsa h LEU 122 Cb 0.59 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1jsa h LEU 122 CO -0.32 0.07 -0.23 -0.33 0.09 0.00 0.00 178.44 177.72 1jsa h GLU 123 N 0.34 -0.63 -0.87 1.13 3.07 -1.28 0.18 114.58 116.52 1jsa h GLU 123 Ca 0.32 0.04 0.16 0.00 -0.50 0.00 0.00 59.36 59.38 1jsa h GLU 123 Cb 0.44 0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 28.43 1jsa h GLU 123 CO -0.36 -0.42 0.57 0.82 -1.40 0.00 0.00 179.01 178.22 1jsa h ILE 124 N -0.65 0.78 0.34 3.13 1.08 -1.18 0.24 117.51 121.24 1jsa h ILE 124 Ca -0.07 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1jsa h ILE 124 Cb 0.50 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1jsa h ILE 124 CO 0.11 0.10 -0.16 0.58 -0.69 0.00 0.00 178.15 178.09 1jsa h VAL 125 N 0.56 0.00 -0.71 1.67 2.07 -0.50 -2.73 116.25 116.61 1jsa h VAL 125 Ca 0.44 -0.52 0.15 0.00 0.82 0.00 0.00 66.70 67.59 1jsa h VAL 125 Cb 0.87 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 1jsa h VAL 125 CO -0.19 0.00 -0.12 0.74 0.02 0.00 0.00 177.57 178.03 1jsa h THR 126 N -0.98 0.32 -0.22 2.57 2.02 -0.39 0.22 112.91 116.46 1jsa h THR 126 Ca -0.05 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1jsa h THR 126 Cb 0.35 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1jsa h THR 126 CO 0.08 0.01 -0.32 0.00 0.37 0.00 0.00 175.52 175.65 1jsa h ALA 127 N 1.70 -0.31 -0.52 6.16 0.00 -1.03 -0.35 119.26 124.91 1jsa h ALA 127 Ca 0.36 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1jsa h ALA 127 Cb 0.58 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1jsa h ALA 127 CO -0.70 -0.77 0.23 0.82 0.00 0.00 0.00 179.25 178.83 1jsa h ILE 128 N -0.35 0.89 -1.32 0.00 2.04 -0.53 0.13 117.51 118.38 1jsa h ILE 128 Ca 0.12 -0.15 0.38 0.00 1.00 0.00 0.00 64.86 66.21 1jsa h ILE 128 Cb 0.54 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1jsa h ILE 128 CO -0.41 0.08 0.93 0.15 0.00 0.00 0.00 178.15 178.90 1jsa h PHE 129 N 0.44 0.10 -0.04 1.37 3.57 0.10 0.71 116.94 123.20 1jsa h PHE 129 Ca 0.24 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 1jsa h PHE 129 Cb 0.20 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.93 1jsa h PHE 129 CO -0.13 -0.01 -0.57 -0.22 -2.23 0.00 0.00 178.31 175.15 1jsa h LYS 130 N 0.04 0.45 0.00 1.11 1.63 -0.03 -2.97 116.57 116.81 1jsa h LYS 130 Ca 0.65 -0.44 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1jsa h LYS 130 Cb 2.47 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 34.21 1jsa h LYS 130 CO -0.06 1.09 0.00 -0.12 -3.45 0.00 0.00 179.45 176.91 1jsa n MET 131 N -4.22 0.13 -2.93 1.90 0.00 0.24 -3.41 117.12 108.83 1jsa n MET 131 Ca -0.10 0.61 -0.42 0.00 -0.00 0.00 0.00 57.70 57.80 1jsa n MET 131 Cb 0.65 -1.91 -0.05 0.00 0.00 0.00 0.00 33.22 31.91 1jsa n MET 131 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1jsa s ILE 132 N -3.49 4.74 0.55 1.12 1.01 -0.65 -4.51 121.20 119.98 1jsa s ILE 132 Ca -0.02 1.09 -0.12 0.00 0.00 0.00 0.00 60.65 61.60 1jsa s ILE 132 Cb 0.06 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1jsa s ILE 132 CO 0.19 -0.36 0.96 -0.94 0.00 0.00 0.00 174.94 174.79 1jsa s SER 133 N 1.73 6.38 0.14 3.58 1.04 -1.26 -4.76 113.70 120.54 1jsa s SER 133 Ca 0.33 1.38 -0.23 0.00 0.48 0.00 0.00 55.95 57.91 1jsa s SER 133 Cb -0.13 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1jsa s SER 133 CO 0.15 -0.71 1.64 -0.65 0.98 0.00 0.00 173.24 174.66 1jsa h PRO 134 N 0.26 -0.26 -0.37 4.02 0.10 -1.95 1.85 132.00 135.65 1jsa h PRO 134 Ca -0.45 0.02 0.11 0.00 0.10 0.00 0.00 66.00 65.77 1jsa h PRO 134 Cb 1.19 0.06 -0.01 0.00 0.10 0.00 0.00 31.00 32.33 1jsa h PRO 134 CO 0.62 -0.17 0.36 0.93 0.10 0.00 0.00 178.00 179.84 1jsa h GLU 135 N -0.27 0.00 0.00 1.05 4.39 -2.01 0.17 114.58 117.91 1jsa h GLU 135 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1jsa h GLU 135 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1jsa h GLU 135 CO -0.29 0.00 -1.58 -0.25 -1.16 0.00 0.00 179.01 175.73 1jsa n ASP 136 N -3.90 0.38 0.00 1.42 9.92 0.65 -4.13 116.55 120.88 1jsa n ASP 136 Ca 0.06 -0.30 0.03 0.00 -0.53 0.00 0.00 54.79 54.05 1jsa n ASP 136 Cb 0.53 1.54 0.13 0.00 -0.64 0.00 0.00 41.12 42.68 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 1.41 0.12 -3.53 -1.04 0.60 -1.14 114.28 108.67 1jsa n THR 137 Ca -0.01 0.35 0.11 0.00 -2.04 0.00 0.00 64.05 62.47 1jsa n THR 137 Cb 0.49 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 1jsa n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jsa n LYS 138 N -1.44 0.59 -0.18 -2.82 4.81 -1.22 -4.06 118.16 113.84 1jsa n LYS 138 Ca 0.02 0.04 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1jsa n LYS 138 Cb 0.06 -1.74 0.12 0.00 0.02 0.00 0.00 35.03 33.49 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jsa n HIS 139 N -2.52 0.44 -4.10 5.64 8.25 -0.29 -4.87 115.22 117.77 1jsa n HIS 139 Ca -0.01 -0.19 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 1jsa n HIS 139 Cb 0.54 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 1jsa n HIS 139 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1jsa s LEU 140 N -0.99 3.64 0.33 2.41 0.05 -1.25 -5.07 118.68 117.80 1jsa s LEU 140 Ca 0.18 -0.13 -0.28 0.00 0.05 0.00 0.00 54.13 53.95 1jsa s LEU 140 Cb 0.10 -2.32 -0.13 0.00 -2.05 0.00 0.00 46.19 41.79 1jsa s LEU 140 CO 0.10 0.15 1.24 -2.65 -0.55 0.00 0.00 176.35 174.64 1jsa n PRO 141 N 0.29 1.98 0.19 1.48 -0.01 -1.26 -4.89 135.00 132.78 1jsa n PRO 141 Ca -0.09 0.70 0.10 0.00 -0.01 0.00 0.00 63.50 64.20 1jsa n PRO 141 Cb 0.53 -2.24 0.12 0.00 -0.01 0.00 0.00 33.50 31.90 1jsa n PRO 141 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1jsa h GLU 142 N 2.46 0.00 0.00 -0.52 4.57 -1.97 -3.23 114.58 115.88 1jsa h GLU 142 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1jsa h GLU 142 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1jsa h GLU 142 CO 0.62 0.07 0.00 -0.25 -1.18 0.00 0.00 179.01 178.27 1jsa n ASP 143 N -3.04 0.00 -2.71 1.04 9.92 -1.26 -3.46 116.55 117.04 1jsa n ASP 143 Ca 0.03 0.16 -0.06 0.00 -0.53 0.00 0.00 54.79 54.39 1jsa n ASP 143 Cb 0.57 -0.17 0.05 0.00 -0.64 0.00 0.00 41.12 40.93 1jsa n ASP 143 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1jsa n GLU 144 N -1.17 0.41 -0.98 -1.24 0.28 -1.22 -4.96 120.64 111.76 1jsa n GLU 144 Ca 0.00 -1.25 -0.19 0.00 -0.16 0.00 0.00 57.16 55.57 1jsa n GLU 144 Cb 0.00 -0.78 0.15 0.00 1.43 0.00 0.00 31.44 32.24 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1jsa n ASN 145 N 1.89 3.62 -3.77 -1.84 0.23 -1.22 -4.57 115.26 109.59 1jsa n ASN 145 Ca 0.08 -3.28 -0.13 0.00 -0.53 0.00 0.00 54.58 50.72 1jsa n ASN 145 Cb 0.65 -0.77 -0.09 0.00 -2.08 0.00 0.00 39.78 37.49 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1jsa s THR 146 N -2.63 0.06 0.14 5.53 -4.23 -1.26 -5.02 115.64 108.23 1jsa s THR 146 Ca 0.45 -0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1jsa s THR 146 Cb 0.38 -0.58 0.02 0.00 1.34 0.00 0.00 72.50 73.66 1jsa s THR 146 CO 0.09 -0.25 1.68 -0.65 -0.54 0.00 0.00 174.62 174.95 1jsa h PRO 147 N 4.06 -0.05 0.00 3.99 0.10 -1.94 0.87 132.00 139.03 1jsa h PRO 147 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.81 1jsa h PRO 147 Cb 1.18 0.01 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1jsa h PRO 147 CO 0.39 -0.03 0.00 1.49 0.10 0.00 0.00 178.00 179.95 1jsa h GLU 148 N -0.05 0.00 0.12 1.05 4.81 -1.97 -0.86 114.58 117.68 1jsa h GLU 148 Ca 0.13 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.00 1jsa h GLU 148 Cb 0.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1jsa h GLU 148 CO -0.29 0.00 -1.99 1.17 -0.73 0.00 0.00 179.01 177.17 1jsa n LYS 149 N -2.66 0.76 -0.02 1.92 4.81 0.90 -3.90 118.16 119.97 1jsa n LYS 149 Ca -0.00 0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1jsa n LYS 149 Cb 0.18 -1.71 -0.11 0.00 0.02 0.00 0.00 35.03 33.41 1jsa n LYS 149 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jsa h ARG 150 N 0.07 -0.02 -1.23 1.64 3.08 0.86 -2.87 114.38 115.92 1jsa h ARG 150 Ca -0.42 0.00 0.35 0.00 0.07 0.00 0.00 59.98 59.98 1jsa h ARG 150 Cb 2.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 32.02 1jsa h ARG 150 CO 0.09 0.62 0.86 0.00 -1.07 0.00 0.00 179.97 180.47 1jsa h ALA 151 N 0.28 2.98 0.00 0.04 0.00 -1.37 2.45 119.26 123.63 1jsa h ALA 151 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1jsa h ALA 151 Cb 0.65 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jsa h ALA 151 CO 0.00 -1.37 -0.52 1.49 0.00 0.00 0.00 179.25 178.86 1jsa h GLU 152 N 0.08 0.00 0.27 0.00 4.57 -1.64 -2.19 114.58 115.67 1jsa h GLU 152 Ca 0.62 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.78 1jsa h GLU 152 Cb 2.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.84 1jsa h GLU 152 CO -0.09 0.52 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.90 1jsa h LYS 153 N 0.00 -0.35 0.32 1.92 1.63 0.44 0.45 116.57 120.98 1jsa h LYS 153 Ca -0.01 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1jsa h LYS 153 Cb 1.11 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1jsa h LYS 153 CO 0.07 0.00 -0.15 0.82 -3.45 0.00 0.00 179.45 176.74 1jsa h ILE 154 N -0.89 0.00 -0.06 2.00 2.04 -1.40 -1.10 117.51 118.11 1jsa h ILE 154 Ca -0.04 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jsa h ILE 154 Cb 0.51 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1jsa h ILE 154 CO 0.06 0.00 0.31 -0.25 0.00 0.00 0.00 178.15 178.27 1jsa h TRP 155 N -0.43 0.00 0.00 1.37 2.91 -1.54 0.49 115.95 118.75 1jsa h TRP 155 Ca -0.04 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 1jsa h TRP 155 Cb 0.33 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1jsa h TRP 155 CO 0.16 0.00 -0.41 0.78 -1.03 0.00 0.00 178.44 177.94 1jsa h GLY 156 N 0.00 0.00 2.00 2.65 0.00 -0.25 -2.70 103.07 104.77 1jsa h GLY 156 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1jsa h GLY 156 CO -0.00 0.00 -0.35 0.74 0.00 0.00 0.00 176.54 176.93 1jsa h PHE 157 N 0.00 0.00 0.08 5.60 0.04 0.13 -3.18 116.94 119.61 1jsa h PHE 157 Ca -0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 1jsa h PHE 157 Cb 1.24 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.36 1jsa h PHE 157 CO 0.00 0.35 -1.90 1.19 -0.60 0.00 0.00 178.31 177.35 1jsa n PHE 158 N -3.62 1.16 0.00 -0.55 3.72 -1.20 -4.99 117.46 111.98 1jsa n PHE 158 Ca -0.01 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 1jsa n PHE 158 Cb 0.47 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 1jsa n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jsa n GLY 159 N 1.84 2.83 3.51 1.37 0.00 -1.02 -4.98 105.19 108.73 1jsa n GLY 159 Ca -0.27 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 0.09 -0.01 1.61 5.02 -1.26 -4.67 118.16 118.94 1jsa n LYS 160 Ca 0.00 -0.03 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 1jsa n LYS 160 Cb 0.00 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.43 1jsa n LYS 160 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1jsa n LYS 161 N 7.68 0.18 0.00 1.97 2.85 -1.26 -4.82 118.16 124.76 1jsa n LYS 161 Ca 0.64 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.97 1jsa n LYS 161 Cb 0.11 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.76 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jsa n ASP 162 N -3.51 0.00 -3.25 -5.58 5.75 -1.26 -4.40 116.55 104.30 1jsa n ASP 162 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.49 1jsa n ASP 162 Cb 0.17 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1jsa n ASP 163 N 0.00 3.72 -3.42 -1.12 2.03 -1.26 -4.60 116.55 111.89 1jsa n ASP 163 Ca 0.00 -2.36 -0.19 0.00 0.52 0.00 0.00 54.79 52.77 1jsa n ASP 163 Cb 0.00 -1.01 -0.11 0.00 -0.72 0.00 0.00 41.12 39.29 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1jsa s ASP 164 N 4.03 1.85 -0.11 1.67 1.01 -1.26 -5.13 116.67 118.73 1jsa s ASP 164 Ca 0.39 -0.76 -0.11 0.00 0.71 0.00 0.00 52.55 52.78 1jsa s ASP 164 Cb 0.10 0.40 -0.05 0.00 1.01 0.00 0.00 42.92 44.39 1jsa s ASP 164 CO 0.01 -0.39 0.26 -0.54 0.21 0.00 0.00 175.17 174.72 1jsa s LYS 165 N 2.33 3.88 0.12 8.23 1.02 -1.26 -4.30 119.74 129.76 1jsa s LYS 165 Ca 0.09 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.86 1jsa s LYS 165 Cb -0.14 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1jsa s LYS 165 CO -0.31 0.55 1.02 -1.17 -0.92 0.00 0.00 175.35 174.52 1jsa s LEU 166 N -0.48 4.48 0.27 3.17 2.96 -0.70 -4.78 118.68 123.60 1jsa s LEU 166 Ca 0.17 1.88 0.04 0.00 -0.22 0.00 0.00 54.13 56.01 1jsa s LEU 166 Cb -0.13 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1jsa s LEU 166 CO 0.06 -0.15 0.40 0.42 -1.32 0.00 0.00 176.35 175.77 1jsa s THR 167 N 0.06 5.16 -0.63 3.68 -4.23 -1.26 0.61 115.64 119.03 1jsa s THR 167 Ca 0.49 -0.89 0.18 0.00 -1.18 0.00 0.00 61.69 60.28 1jsa s THR 167 Cb -0.25 -3.83 0.17 0.00 1.34 0.00 0.00 72.50 69.93 1jsa s THR 167 CO 0.31 -0.36 1.54 -1.84 -0.54 0.00 0.00 174.62 173.73 1jsa n GLU 168 N -1.49 0.11 0.05 3.99 0.28 -1.24 -1.57 120.64 120.76 1jsa n GLU 168 Ca -0.08 0.43 -0.02 0.00 -0.16 0.00 0.00 57.16 57.33 1jsa n GLU 168 Cb 0.57 -1.74 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 1jsa n GLU 168 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1jsa h LYS 169 N 0.00 -0.14 -0.01 3.44 1.57 -1.93 -3.33 116.57 116.17 1jsa h LYS 169 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1jsa h LYS 169 Cb 0.21 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jsa h LYS 169 CO 0.00 -0.10 -0.35 0.93 -0.57 0.00 0.00 179.45 179.36 1jsa h GLU 170 N -0.35 0.03 -0.45 3.15 4.39 -1.97 -2.57 114.58 116.81 1jsa h GLU 170 Ca -0.02 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.81 1jsa h GLU 170 Cb 0.11 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1jsa h GLU 170 CO 0.02 0.37 0.66 0.35 -1.16 0.00 0.00 179.01 179.26 1jsa h PHE 171 N 0.02 0.00 0.00 4.33 3.57 -1.41 1.00 116.94 124.45 1jsa h PHE 171 Ca 0.00 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 1jsa h PHE 171 Cb 0.63 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1jsa h PHE 171 CO 0.00 0.00 -1.69 -0.89 -2.23 0.00 0.00 178.31 173.51 1jsa n ILE 172 N -3.33 1.53 -0.06 1.41 5.41 -0.97 -3.96 119.36 119.39 1jsa n ILE 172 Ca 0.09 -0.78 -0.06 0.00 1.00 0.00 0.00 62.75 63.00 1jsa n ILE 172 Cb 0.83 -0.97 -0.05 0.00 -0.71 0.00 0.00 39.64 38.74 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 0.00 0.00 -0.65 0.38 5.08 0.79 -1.42 114.58 118.76 1jsa h GLU 173 Ca -0.27 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1jsa h GLU 173 Cb 1.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.18 1jsa h GLU 173 CO 0.07 0.36 0.86 0.78 -1.00 0.00 0.00 179.01 180.08 1jsa h GLY 174 N -1.00 0.00 0.72 -3.84 0.00 -0.77 2.23 103.07 100.41 1jsa h GLY 174 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 1jsa h GLY 174 CO -0.01 0.00 -1.79 -1.30 0.00 0.00 0.00 176.54 173.44 1jsa n THR 175 N -3.32 1.36 -0.22 4.70 -2.24 -1.23 -3.07 114.28 110.27 1jsa n THR 175 Ca 0.14 -0.77 0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1jsa n THR 175 Cb 1.08 -0.77 0.14 0.00 -2.10 0.00 0.00 70.33 68.67 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.00 0.22 0.00 3.22 7.12 0.49 -3.21 115.31 123.15 1jsa h LEU 176 Ca -0.29 0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1jsa h LEU 176 Cb 1.89 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 42.10 1jsa h LEU 176 CO 0.05 0.11 -0.10 0.00 -0.13 0.00 0.00 178.44 178.38 1jsa h ALA 177 N 1.47 0.00 -1.26 1.25 0.00 -1.64 -3.42 119.26 115.66 1jsa h ALA 177 Ca 0.35 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.62 1jsa h ALA 177 Cb 0.47 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1jsa h ALA 177 CO -0.35 0.10 1.19 -0.80 0.00 0.00 0.00 179.25 179.39 1jsa s ASN 178 N -4.97 5.97 0.21 0.00 -0.87 -1.17 -4.79 114.94 109.31 1jsa s ASN 178 Ca -0.03 -0.56 0.25 0.00 -1.57 0.00 0.00 52.86 50.95 1jsa s ASN 178 Cb 0.00 -2.56 0.89 0.00 -0.02 0.00 0.00 41.25 39.57 1jsa s ASN 178 CO 0.04 -1.95 1.76 0.29 -2.57 0.00 0.00 177.10 174.67 1jsa n LYS 179 N 9.18 0.21 0.00 -0.60 5.02 -1.25 -2.93 118.16 127.79 1jsa n LYS 179 Ca 0.17 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.78 1jsa n LYS 179 Cb 0.50 -1.80 0.28 0.00 -0.02 0.00 0.00 35.03 33.99 1jsa n LYS 179 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jsa n GLU 180 N -2.18 0.26 0.00 1.97 0.28 -1.26 -3.05 120.64 116.67 1jsa n GLU 180 Ca 0.04 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1jsa n GLU 180 Cb 0.35 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1jsa n GLU 180 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1jsa n ILE 181 N -1.08 0.00 0.31 3.84 5.41 -1.15 -3.92 119.36 122.76 1jsa n ILE 181 Ca 0.07 0.50 0.12 0.00 1.00 0.00 0.00 62.75 64.44 1jsa n ILE 181 Cb 0.05 -1.50 0.59 0.00 -0.71 0.00 0.00 39.64 38.07 1jsa n ILE 181 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1jsa h LEU 182 N 0.00 0.00 -0.69 1.39 8.10 -1.78 1.00 115.31 123.33 1jsa h LEU 182 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1jsa h LEU 182 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1jsa h LEU 182 CO 0.00 0.00 -0.32 -0.09 -4.11 0.00 0.00 178.44 173.92 1jsa h ARG 183 N 0.00 0.00 0.00 0.17 2.43 -1.70 -3.11 114.38 112.17 1jsa h ARG 183 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1jsa h ARG 183 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1jsa h ARG 183 CO -0.00 0.32 -0.32 -0.11 -1.51 0.00 0.00 179.97 178.35 1jsa n LEU 184 N -3.35 0.80 -0.12 3.80 -0.00 0.34 -4.30 117.00 114.18 1jsa n LEU 184 Ca 0.01 0.28 0.26 0.00 -0.00 0.00 0.00 56.01 56.56 1jsa n LEU 184 Cb 0.54 -0.63 0.52 0.00 -0.00 0.00 0.00 43.42 43.84 1jsa n LEU 184 CO 0.36 -0.45 1.24 0.16 -0.00 0.00 0.00 177.39 178.70 1jsa h ILE 185 N -0.43 0.09 -1.01 1.96 -0.00 -1.64 -3.39 117.51 113.09 1jsa h ILE 185 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 64.86 64.33 1jsa h ILE 185 Cb 0.32 0.18 -0.03 0.00 -0.00 0.00 0.00 36.82 37.29 1jsa h ILE 185 CO 0.00 0.00 1.62 1.67 -0.00 0.00 0.00 178.15 181.44 1jsa n GLN 186 N -3.34 0.76 -1.18 0.16 -0.06 -1.17 -4.84 117.38 107.70 1jsa n GLN 186 Ca 0.19 0.08 -0.37 0.00 -2.00 0.00 0.00 57.00 54.90 1jsa n GLN 186 Cb 1.28 -2.62 0.04 0.00 -4.06 0.00 0.00 30.24 24.88 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 1jsa n PHE 187 N 12.73 -2.72 1.48 3.69 1.16 -1.26 -5.05 117.46 127.48 1jsa n PHE 187 Ca 0.47 0.29 0.12 0.00 -1.87 0.00 0.00 57.45 56.46 1jsa n PHE 187 Cb 0.31 -1.71 0.70 0.00 -1.61 0.00 0.00 39.48 37.18 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28