#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa n ASN 2 N 0.00 0.00 -4.40 1.61 4.13 -1.26 -5.01 115.26 110.33 1jsa n ASN 2 Ca 0.00 -0.90 -0.45 0.00 1.68 0.00 0.00 54.58 54.91 1jsa n ASN 2 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 0.00 6.57 -0.30 6.41 0.01 -1.26 -4.89 113.70 120.24 1jsa s SER 3 Ca 0.00 -2.08 -0.04 0.00 1.31 0.00 0.00 55.95 55.14 1jsa s SER 3 Cb 0.00 -2.33 0.19 0.00 0.21 0.00 0.00 66.02 64.09 1jsa s SER 3 CO 0.00 -0.94 0.86 -0.75 0.41 0.00 0.00 173.24 172.82 1jsa s LYS 4 N 1.98 0.33 0.00 12.44 2.20 -1.26 -5.01 119.74 130.43 1jsa s LYS 4 Ca 0.24 0.25 0.10 0.00 -0.36 0.00 0.00 55.97 56.20 1jsa s LYS 4 Cb -0.10 0.13 0.07 0.00 -1.51 0.00 0.00 37.83 36.42 1jsa s LYS 4 CO -0.06 -0.60 0.80 -1.13 -0.36 0.00 0.00 175.35 174.01 1jsa n SER 5 N 5.08 1.78 -2.82 1.43 3.41 -1.26 -5.01 113.62 116.23 1jsa n SER 5 Ca 0.08 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1jsa n SER 5 Cb 0.57 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.62 -3.06 2.30 5.00 0.00 -1.26 -3.76 105.19 105.03 1jsa n GLY 6 Ca 0.06 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.00 -0.70 -1.73 4.61 0.00 -1.26 -4.85 120.51 113.58 1jsa n ALA 7 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 1jsa n ALA 7 Cb 0.00 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.49 5.90 0.00 0.00 -0.00 -1.25 -4.57 117.00 114.59 1jsa n LEU 8 Ca -0.10 0.86 0.00 0.00 -0.00 0.00 0.00 56.01 56.77 1jsa n LEU 8 Cb 0.52 -1.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1jsa n LEU 8 CO 0.12 -0.93 0.00 -0.24 -0.00 0.00 0.00 177.39 176.34 1jsa n SER 9 N -1.69 0.00 0.24 1.45 2.88 -1.26 -4.91 113.62 110.33 1jsa n SER 9 Ca 0.15 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.80 1jsa n SER 9 Cb 0.47 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.45 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jsa h LYS 10 N 0.00 0.00 0.14 -1.46 1.57 -1.99 0.11 116.57 114.94 1jsa h LYS 10 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1jsa h LYS 10 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1jsa h LYS 10 CO 0.00 0.17 -1.13 0.93 -0.57 0.00 0.00 179.45 178.85 1jsa h GLU 11 N 0.00 0.52 0.03 3.15 3.07 -1.90 -3.18 114.58 116.26 1jsa h GLU 11 Ca -0.00 -0.75 -0.00 0.00 -0.50 0.00 0.00 59.36 58.11 1jsa h GLU 11 Cb 0.67 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1jsa h GLU 11 CO 0.02 1.34 -0.01 0.82 -1.40 0.00 0.00 179.01 179.77 1jsa h ILE 12 N 0.07 1.31 -1.21 3.13 2.04 -1.89 -3.20 117.51 117.76 1jsa h ILE 12 Ca -0.18 -1.80 0.35 0.00 1.00 0.00 0.00 64.86 64.23 1jsa h ILE 12 Cb 1.84 2.39 -0.05 0.00 -0.74 0.00 0.00 36.82 40.26 1jsa h ILE 12 CO 0.22 0.41 0.86 -0.07 0.00 0.00 0.00 178.15 179.57 1jsa h LEU 13 N -0.92 0.03 -0.99 1.44 3.38 -0.95 1.69 115.31 118.99 1jsa h LEU 13 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jsa h LEU 13 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jsa h LEU 13 CO 0.01 0.00 0.38 -0.08 0.09 0.00 0.00 178.44 178.84 1jsa h GLU 14 N 0.02 0.00 -0.00 1.13 4.81 -1.54 2.81 114.58 121.82 1jsa h GLU 14 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1jsa h GLU 14 Cb 2.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.66 1jsa h GLU 14 CO -0.03 0.00 -0.19 0.39 -0.73 0.00 0.00 179.01 178.45 1jsa n GLU 15 N -2.23 0.29 -0.29 1.92 -0.58 0.58 -4.29 120.64 116.04 1jsa n GLU 15 Ca -0.01 -0.10 0.24 0.00 -0.42 0.00 0.00 57.16 56.86 1jsa n GLU 15 Cb 0.41 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.26 0.08 0.22 -4.62 -0.00 0.94 0.96 117.00 113.32 1jsa n LEU 16 Ca 0.10 0.69 -0.13 0.00 -0.00 0.00 0.00 56.01 56.66 1jsa n LEU 16 Cb 0.31 -0.34 -0.07 0.00 -0.00 0.00 0.00 43.42 43.32 1jsa n LEU 16 CO 0.28 -0.73 0.47 1.56 -0.00 0.00 0.00 177.39 178.97 1jsa h GLN 17 N 0.00 -0.56 -0.32 1.47 1.08 -1.80 -3.20 115.11 111.77 1jsa h GLN 17 Ca 0.48 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.75 1jsa h GLN 17 Cb 1.66 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 29.17 1jsa h GLN 17 CO -0.18 -0.26 -0.31 -0.07 -0.95 0.00 0.00 178.83 177.06 1jsa h LEU 18 N -0.94 -1.06 -7.04 1.46 4.07 0.27 -3.41 115.31 108.66 1jsa h LEU 18 Ca -0.06 0.15 -0.17 0.00 0.08 0.00 0.00 57.88 57.88 1jsa h LEU 18 Cb 0.57 0.45 -0.30 0.00 1.08 0.00 0.00 40.66 42.45 1jsa h LEU 18 CO 0.10 -0.19 -0.47 0.21 -1.08 0.00 0.00 178.44 177.01 1jsa s ASN 19 N -4.09 0.16 0.09 -0.43 2.47 -1.19 -4.49 114.94 107.47 1jsa s ASN 19 Ca -0.07 0.65 -0.36 0.00 0.42 0.00 0.00 52.86 53.49 1jsa s ASN 19 Cb 0.05 0.99 -0.17 0.00 -1.45 0.00 0.00 41.25 40.68 1jsa s ASN 19 CO 0.33 -0.25 1.35 0.41 -3.72 0.00 0.00 177.10 175.22 1jsa n THR 20 N 5.37 0.03 -2.83 -5.21 -1.04 -1.21 -4.65 114.28 104.74 1jsa n THR 20 Ca -0.07 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.59 1jsa n THR 20 Cb 0.50 -0.86 -0.07 0.00 -1.82 0.00 0.00 70.33 68.08 1jsa n THR 20 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jsa s LYS 21 N 0.48 4.37 0.23 -2.82 3.01 -1.26 -4.94 119.74 118.81 1jsa s LYS 21 Ca 0.84 1.17 -0.15 0.00 -1.01 0.00 0.00 55.97 56.82 1jsa s LYS 21 Cb -0.93 -2.49 0.27 0.00 -1.01 0.00 0.00 37.83 33.67 1jsa s LYS 21 CO 0.46 0.13 1.57 0.74 0.51 0.00 0.00 175.35 178.76 1jsa h PHE 22 N 2.53 -0.84 -0.98 3.18 0.04 -1.99 -3.41 116.94 115.48 1jsa h PHE 22 Ca -0.48 0.09 0.17 0.00 2.80 0.00 0.00 57.97 60.56 1jsa h PHE 22 Cb 1.19 0.50 -0.24 0.00 2.20 0.00 0.00 35.95 39.60 1jsa h PHE 22 CO 0.62 -0.39 0.20 0.95 -0.60 0.00 0.00 178.31 179.09 1jsa s THR 23 N -6.07 -0.51 0.64 -1.55 -4.23 -1.26 -4.99 115.64 97.67 1jsa s THR 23 Ca -0.14 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.57 1jsa s THR 23 Cb 0.21 -1.00 0.24 0.00 1.34 0.00 0.00 72.50 73.29 1jsa s THR 23 CO 0.73 0.00 1.53 1.05 -0.54 0.00 0.00 174.62 177.38 1jsa h GLU 24 N 7.54 0.00 -0.07 3.99 -0.00 -2.02 2.57 114.58 126.59 1jsa h GLU 24 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1jsa h GLU 24 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1jsa h GLU 24 CO 0.07 0.00 0.00 -1.91 -0.00 0.00 0.00 179.01 177.17 1jsa n GLU 25 N -2.97 1.67 -0.07 1.06 4.07 -1.26 -4.13 120.64 119.01 1jsa n GLU 25 Ca 0.05 -0.98 -0.06 0.00 -0.06 0.00 0.00 57.16 56.11 1jsa n GLU 25 Cb 0.82 -1.45 -0.02 0.00 -0.06 0.00 0.00 31.44 30.73 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1jsa h GLU 26 N 2.21 0.00 -0.01 5.31 4.57 0.41 -3.34 114.58 123.73 1jsa h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jsa h GLU 26 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1jsa h GLU 26 CO 0.00 0.10 0.00 1.47 -1.18 0.00 0.00 179.01 179.40 1jsa n LEU 27 N -4.61 0.01 -0.04 1.64 -0.00 -1.23 -2.69 117.00 110.07 1jsa n LEU 27 Ca -0.09 -0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.79 1jsa n LEU 27 Cb 0.28 -0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 43.59 1jsa n LEU 27 CO 0.11 0.00 0.41 0.77 -0.00 0.00 0.00 177.39 178.68 1jsa h SER 28 N 0.02 -0.02 0.57 1.45 4.64 -1.72 -3.34 113.55 115.15 1jsa h SER 28 Ca 0.00 -0.76 -0.28 0.00 -0.47 0.00 0.00 61.79 60.28 1jsa h SER 28 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1jsa h SER 28 CO 0.00 0.80 -1.43 -1.28 -0.87 0.00 0.00 176.83 174.05 1jsa h SER 29 N -0.89 0.27 0.00 4.97 0.87 -1.73 -3.26 113.55 113.79 1jsa h SER 29 Ca -0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1jsa h SER 29 Cb 0.78 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1jsa h SER 29 CO 0.00 1.31 0.57 -0.25 -0.53 0.00 0.00 176.83 177.93 1jsa h TRP 30 N 0.05 0.00 0.00 2.24 7.01 -1.68 2.13 115.95 125.70 1jsa h TRP 30 Ca -0.20 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.63 1jsa h TRP 30 Cb 1.97 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 29.00 1jsa h TRP 30 CO 0.04 0.00 -1.00 -0.92 -2.79 0.00 0.00 178.44 173.77 1jsa h TYR 31 N 0.00 0.00 0.00 2.65 3.20 -1.68 -3.29 116.97 117.85 1jsa h TYR 31 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1jsa h TYR 31 Cb 1.14 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1jsa h TYR 31 CO 0.00 0.74 -0.72 1.96 -1.64 0.00 0.00 178.16 178.50 1jsa h GLN 32 N 0.00 0.00 -1.53 1.82 1.08 0.33 -3.10 115.11 113.71 1jsa h GLN 32 Ca -0.07 0.00 0.46 0.00 -1.45 0.00 0.00 58.65 57.58 1jsa h GLN 32 Cb 1.63 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.98 1jsa h GLN 32 CO 0.08 0.33 1.06 0.66 -0.95 0.00 0.00 178.83 180.02 1jsa h SER 33 N -1.00 0.10 0.20 1.46 4.64 -1.58 1.17 113.55 118.53 1jsa h SER 33 Ca -0.11 0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 60.95 1jsa h SER 33 Cb 0.75 0.04 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1jsa h SER 33 CO -0.07 -0.05 -1.29 0.15 -0.87 0.00 0.00 176.83 174.71 1jsa h PHE 34 N 0.05 0.92 0.00 4.77 3.57 -1.71 -2.25 116.94 122.29 1jsa h PHE 34 Ca 0.79 -0.64 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1jsa h PHE 34 Cb 2.90 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 41.59 1jsa h PHE 34 CO -0.00 1.49 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.44 1jsa h LEU 35 N 0.09 0.00 0.20 0.59 3.38 0.13 0.80 115.31 120.50 1jsa h LEU 35 Ca -0.22 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.43 1jsa h LEU 35 Cb 2.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.77 1jsa h LEU 35 CO 0.24 0.06 -1.46 0.11 0.09 0.00 0.00 178.44 177.49 1jsa h LYS 36 N 0.00 0.41 0.00 1.13 1.79 -0.69 -2.98 116.57 116.23 1jsa h LYS 36 Ca -0.00 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.76 1jsa h LYS 36 Cb 0.18 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1jsa h LYS 36 CO 0.01 1.33 -0.23 0.93 -1.08 0.00 0.00 179.45 180.41 1jsa h GLU 37 N 0.11 0.00 -1.34 3.15 4.39 -0.68 -3.42 114.58 116.79 1jsa h GLU 37 Ca -0.23 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 1jsa h GLU 37 Cb 2.09 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 30.49 1jsa h GLU 37 CO 0.23 0.00 -0.46 0.00 -1.16 0.00 0.00 179.01 177.63 1jsa n PRO 39 N 5.39 0.89 0.00 0.00 -0.02 -1.12 -4.07 135.00 136.07 1jsa n PRO 39 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1jsa n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -0.11 0.00 -0.05 2.55 2.88 -1.26 -4.71 113.62 112.93 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 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.19 2.84 0.46 0.00 -1.26 -5.04 105.19 102.39 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 0.06 0.31 1.61 0.52 -1.26 -4.37 118.95 115.82 1jsa s ARG 42 Ca 0.00 0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 55.50 1jsa s ARG 42 Cb 0.00 -0.38 -0.10 0.00 0.52 0.00 0.00 34.95 34.99 1jsa s ARG 42 CO 0.00 -0.35 0.90 0.42 0.02 0.00 0.00 175.30 176.29 1jsa s ILE 43 N 2.31 4.29 0.71 1.52 1.01 -0.61 -4.86 121.20 125.57 1jsa s ILE 43 Ca 0.03 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.41 1jsa s ILE 43 Cb -0.12 -3.97 0.14 0.00 0.01 0.00 0.00 42.46 38.51 1jsa s ILE 43 CO -0.07 0.14 0.98 0.41 0.00 0.00 0.00 174.94 176.40 1jsa n THR 44 N 0.56 0.00 -0.09 2.92 -1.04 -1.26 -2.50 114.28 112.87 1jsa n THR 44 Ca 0.01 -1.67 -0.21 0.00 -2.04 0.00 0.00 64.05 60.14 1jsa n THR 44 Cb 0.50 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 68.08 1jsa n THR 44 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1jsa h ARG 45 N 0.00 0.03 -0.87 -2.82 2.43 -1.97 -2.95 114.38 108.22 1jsa h ARG 45 Ca -0.32 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.00 1jsa h ARG 45 Cb 1.25 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 1jsa h ARG 45 CO 0.37 1.02 0.59 1.96 -1.51 0.00 0.00 179.97 182.40 1jsa h GLN 46 N -0.89 0.34 0.00 0.20 4.20 -2.02 0.97 115.11 117.91 1jsa h GLN 46 Ca -0.33 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1jsa h GLN 46 Cb 1.36 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1jsa h GLN 46 CO -0.17 0.22 -0.94 -1.91 -0.67 0.00 0.00 178.83 175.36 1jsa n GLU 47 N -4.48 0.52 0.11 1.46 2.13 -1.26 -3.98 120.64 115.14 1jsa n GLU 47 Ca 0.18 0.10 0.18 0.00 0.66 0.00 0.00 57.16 58.29 1jsa n GLU 47 Cb 0.71 -1.78 0.75 0.00 0.27 0.00 0.00 31.44 31.39 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 0.00 0.00 0.00 4.31 3.57 -0.61 0.28 116.94 124.49 1jsa h PHE 48 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jsa h PHE 48 Cb 0.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1jsa h PHE 48 CO 0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1jsa n GLN 49 N -4.04 0.08 0.10 1.11 6.02 -1.23 -2.78 117.38 116.63 1jsa n GLN 49 Ca 0.06 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.37 1jsa n GLN 49 Cb 0.48 -1.62 0.06 0.00 1.02 0.00 0.00 30.24 30.18 1jsa n GLN 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1jsa h THR 50 N 0.00 0.00 0.03 5.09 2.02 -0.69 -3.35 112.91 116.01 1jsa h THR 50 Ca 0.00 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1jsa h THR 50 Cb 0.41 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1jsa h THR 50 CO 0.00 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.27 1jsa h ILE 51 N 0.00 0.00 0.00 3.11 2.04 -1.55 -3.25 117.51 117.86 1jsa h ILE 51 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1jsa h ILE 51 Cb 0.92 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1jsa h ILE 51 CO 0.00 0.00 0.25 -1.22 0.00 0.00 0.00 178.15 177.18 1jsa n TYR 52 N -3.52 0.00 0.32 1.37 4.02 -1.24 -2.15 117.16 115.96 1jsa n TYR 52 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1jsa n TYR 52 Cb 0.02 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.04 1jsa n TYR 52 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1jsa h SER 53 N 0.00 -0.96 -0.37 7.72 0.87 -1.69 -1.22 113.55 117.89 1jsa h SER 53 Ca 0.00 0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1jsa h SER 53 Cb 0.50 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1jsa h SER 53 CO 0.00 -0.57 0.45 0.11 -0.53 0.00 0.00 176.83 176.29 1jsa h LYS 54 N -0.91 0.00 0.00 2.24 1.57 -1.63 0.56 116.57 118.40 1jsa h LYS 54 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1jsa h LYS 54 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1jsa h LYS 54 CO 0.07 0.00 -0.55 0.74 -0.57 0.00 0.00 179.45 179.14 1jsa h PHE 55 N 0.00 0.00 -1.14 -1.35 -1.00 -1.50 -3.38 116.94 108.57 1jsa h PHE 55 Ca 0.18 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.57 1jsa h PHE 55 Cb 1.08 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 40.35 1jsa h PHE 55 CO 0.00 0.55 -0.87 1.19 -1.61 0.00 0.00 178.31 177.57 1jsa n PHE 56 N -3.27 -1.25 0.81 -0.55 3.01 0.17 -4.93 117.46 111.45 1jsa n PHE 56 Ca 0.01 -3.03 0.00 0.00 1.01 0.00 0.00 57.45 55.45 1jsa n PHE 56 Cb 0.74 0.47 0.00 0.00 -0.01 0.00 0.00 39.48 40.68 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1jsa n PRO 57 N 0.55 0.42 -0.04 -1.08 -0.04 0.41 -2.55 135.00 132.67 1jsa n PRO 57 Ca 0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1jsa n PRO 57 Cb 0.66 -1.01 -0.14 0.00 -0.04 0.00 0.00 33.50 32.97 1jsa n PRO 57 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jsa n GLU 58 N -0.46 0.69 0.00 0.54 4.07 -1.26 -5.00 120.64 119.22 1jsa n GLU 58 Ca 0.00 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1jsa n GLU 58 Cb 0.01 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jsa n ALA 59 N -2.85 0.00 -3.20 4.31 0.00 -1.06 -4.60 120.51 113.11 1jsa n ALA 59 Ca -0.29 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1jsa n ALA 59 Cb 1.06 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.44 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 0.48 -0.75 0.00 9.92 -1.18 -4.94 116.55 120.08 1jsa n ASP 60 Ca 0.00 -2.78 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 1jsa n ASP 60 Cb 0.00 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 1jsa n ASP 60 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1jsa n PRO 61 N 1.19 0.19 -0.04 -0.24 -0.02 -1.26 -3.74 135.00 131.09 1jsa n PRO 61 Ca 0.22 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 1jsa n PRO 61 Cb 0.54 -1.25 0.37 0.00 -0.02 0.00 0.00 33.50 33.14 1jsa n PRO 61 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jsa h LYS 62 N 1.22 0.61 0.00 -0.52 5.09 -1.92 1.42 116.57 122.46 1jsa h LYS 62 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 60.65 60.68 1jsa h LYS 62 Cb 0.14 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.34 1jsa h LYS 62 CO 0.00 0.44 -0.76 0.00 -2.09 0.00 0.00 179.45 177.04 1jsa h ALA 63 N 1.66 0.63 0.00 0.07 0.00 -1.87 -3.20 119.26 116.54 1jsa h ALA 63 Ca 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1jsa h ALA 63 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jsa h ALA 63 CO -0.03 0.04 -1.36 -0.92 0.00 0.00 0.00 179.25 176.98 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 5.03 -1.43 -3.32 116.97 117.25 1jsa h TYR 64 Ca -0.01 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 1jsa h TYR 64 Cb 1.02 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.28 1jsa h TYR 64 CO 0.00 0.56 -0.66 0.00 -1.32 0.00 0.00 178.16 176.74 1jsa h ALA 65 N 1.44 0.62 0.00 1.82 0.00 0.18 -3.06 119.26 120.26 1jsa h ALA 65 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1jsa h ALA 65 Cb 1.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jsa h ALA 65 CO 0.05 0.83 0.00 1.96 0.00 0.00 0.00 179.25 182.08 1jsa h GLN 66 N 0.00 0.00 0.02 0.00 4.20 -1.67 -3.27 115.11 114.39 1jsa h GLN 66 Ca -0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1jsa h GLN 66 Cb 1.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1jsa h GLN 66 CO 0.09 0.00 -0.44 0.45 -0.67 0.00 0.00 178.83 178.26 1jsa h HIS 67 N 0.00 0.06 0.00 2.96 3.86 -1.63 -3.24 115.15 117.16 1jsa h HIS 67 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jsa h HIS 67 Cb 0.67 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1jsa h HIS 67 CO 0.00 1.17 0.23 0.28 0.86 0.00 0.00 177.93 180.47 1jsa n VAL 68 N -4.50 0.93 0.00 2.45 0.31 -1.19 -2.53 118.33 113.80 1jsa n VAL 68 Ca -0.16 0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 1jsa n VAL 68 Cb 0.57 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.21 0.00 -0.04 3.52 7.35 -1.22 -3.42 117.46 122.44 1jsa n PHE 69 Ca 0.00 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.93 1jsa n PHE 69 Cb 0.23 -0.06 0.64 0.00 0.35 0.00 0.00 39.48 40.64 1jsa n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jsa h ARG 70 N 0.00 0.00 -1.01 -4.13 3.08 -1.68 0.65 114.38 111.29 1jsa h ARG 70 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 1jsa h ARG 70 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1jsa h ARG 70 CO 0.00 0.00 0.63 0.66 -1.07 0.00 0.00 179.97 180.19 1jsa h SER 71 N 0.00 0.58 0.00 7.04 4.64 -1.54 -3.02 113.55 121.26 1jsa h SER 71 Ca 0.32 0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.58 1jsa h SER 71 Cb 1.81 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.59 1jsa h SER 71 CO -0.00 0.14 -0.85 0.33 -0.87 0.00 0.00 176.83 175.58 1jsa n PHE 72 N -4.72 0.00 -2.27 4.77 7.35 0.18 -4.53 117.46 118.24 1jsa n PHE 72 Ca 0.25 -0.47 0.01 0.00 -0.76 0.00 0.00 57.45 56.48 1jsa n PHE 72 Cb 0.76 -0.01 -0.00 0.00 0.35 0.00 0.00 39.48 40.58 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 0.37 0.37 -0.46 -2.13 2.03 0.14 -4.83 116.55 112.04 1jsa n ASP 73 Ca -0.01 -1.93 0.14 0.00 0.52 0.00 0.00 54.79 53.50 1jsa n ASP 73 Cb 1.03 -0.15 0.47 0.00 -0.72 0.00 0.00 41.12 41.74 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 0.27 2.68 -0.99 -1.67 0.00 -1.21 -4.64 120.51 114.96 1jsa n ALA 74 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1jsa n ALA 74 Cb 0.93 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 19.33 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 0.06 -1.53 -2.60 0.00 0.23 -1.26 -4.68 115.26 105.48 1jsa n ASN 75 Ca 0.17 -0.66 -0.11 0.00 -0.53 0.00 0.00 54.58 53.45 1jsa n ASN 75 Cb 0.37 -0.32 -0.06 0.00 -2.08 0.00 0.00 39.78 37.69 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1jsa n SER 76 N -3.64 3.28 -3.51 0.53 7.64 -1.26 -4.46 113.62 112.19 1jsa n SER 76 Ca 0.05 -2.10 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 1jsa n SER 76 Cb 0.19 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 1jsa n SER 76 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1jsa s ASP 77 N 2.93 2.80 0.00 6.43 1.01 -1.26 -4.94 116.67 123.63 1jsa s ASP 77 Ca 0.34 -2.56 0.00 0.00 0.71 0.00 0.00 52.55 51.04 1jsa s ASP 77 Cb 0.13 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.48 1jsa s ASP 77 CO -0.01 -0.26 0.30 0.61 0.21 0.00 0.00 175.17 176.02 1jsa n GLY 78 N 3.56 0.00 3.12 0.21 0.00 -1.26 -4.52 105.19 106.31 1jsa n GLY 78 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.80 0.19 -0.23 2.61 -4.23 -1.26 -4.88 115.64 106.04 1jsa s THR 79 Ca 0.00 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 1jsa s THR 79 Cb 0.00 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 1jsa s THR 79 CO 0.00 -0.85 0.38 -0.76 -0.54 0.00 0.00 174.62 172.86 1jsa s LEU 80 N -2.93 4.10 0.45 4.79 1.43 -1.04 -4.89 118.68 120.59 1jsa s LEU 80 Ca 0.10 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1jsa s LEU 80 Cb 0.07 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1jsa s LEU 80 CO -0.08 -0.12 0.72 1.51 0.23 0.00 0.00 176.35 178.61 1jsa s ASP 81 N 1.29 6.19 0.08 2.29 1.47 -1.26 -1.57 116.67 125.16 1jsa s ASP 81 Ca 0.17 0.73 -0.26 0.00 1.18 0.00 0.00 52.55 54.38 1jsa s ASP 81 Cb -0.15 -2.09 -0.10 0.00 -0.34 0.00 0.00 42.92 40.23 1jsa s ASP 81 CO 0.08 -0.55 1.41 0.15 0.68 0.00 0.00 175.17 176.95 1jsa h PHE 82 N 0.35 -1.19 -1.12 2.11 3.57 -1.98 0.21 116.94 118.89 1jsa h PHE 82 Ca -0.47 0.04 0.43 0.00 3.53 0.00 0.00 57.97 61.49 1jsa h PHE 82 Cb 1.22 0.52 -0.16 0.00 2.79 0.00 0.00 35.95 40.31 1jsa h PHE 82 CO 0.54 -0.43 0.65 -0.22 -2.23 0.00 0.00 178.31 176.63 1jsa h LYS 83 N -0.50 0.03 0.07 1.11 3.11 -1.94 1.08 116.57 119.53 1jsa h LYS 83 Ca 0.01 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.58 1jsa h LYS 83 Cb 0.54 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1jsa h LYS 83 CO -0.28 0.02 -1.14 0.93 -2.81 0.00 0.00 179.45 176.17 1jsa h GLU 84 N 0.03 0.56 -0.07 1.90 5.08 -1.46 -3.24 114.58 117.38 1jsa h GLU 84 Ca 0.85 -0.70 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1jsa h GLU 84 Cb 2.39 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 31.86 1jsa h GLU 84 CO -0.66 1.29 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.67 1jsa h TYR 85 N 0.27 0.09 -0.20 4.33 3.20 0.42 -2.00 116.97 123.09 1jsa h TYR 85 Ca -0.15 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 1jsa h TYR 85 Cb 1.80 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 1jsa h TYR 85 CO 0.09 0.16 -0.26 0.28 -1.64 0.00 0.00 178.16 176.79 1jsa h VAL 86 N 0.09 1.26 0.24 1.81 2.07 -1.10 -2.12 116.25 118.51 1jsa h VAL 86 Ca 0.02 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1jsa h VAL 86 Cb 0.16 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1jsa h VAL 86 CO 0.01 0.38 -0.12 0.40 0.02 0.00 0.00 177.57 178.26 1jsa h ILE 87 N 0.33 0.72 -0.63 4.57 1.08 -1.45 -1.75 117.51 120.37 1jsa h ILE 87 Ca 0.05 -0.87 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 1jsa h ILE 87 Cb 0.64 1.13 -0.06 0.00 -3.07 0.00 0.00 36.82 35.46 1jsa h ILE 87 CO 0.05 0.16 0.29 0.00 -0.69 0.00 0.00 178.15 177.96 1jsa h ALA 88 N -0.34 0.83 -0.17 1.87 0.00 -1.50 -0.73 119.26 119.21 1jsa h ALA 88 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jsa h ALA 88 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jsa h ALA 88 CO 0.05 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1jsa n LEU 89 N -4.91 0.07 -0.26 0.00 7.99 -0.80 -2.47 117.00 116.62 1jsa n LEU 89 Ca 0.08 0.77 -0.06 0.00 -0.01 0.00 0.00 56.01 56.80 1jsa n LEU 89 Cb 0.23 -0.47 -0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1jsa n LEU 89 CO 0.25 -0.47 0.59 1.12 -1.51 0.00 0.00 177.39 177.37 1jsa h HIS 90 N 0.00 -1.13 -0.87 -1.77 2.07 -1.36 0.42 115.15 112.51 1jsa h HIS 90 Ca 0.00 0.09 0.23 0.00 -2.85 0.00 0.00 60.37 57.83 1jsa h HIS 90 Cb 0.00 0.60 -0.15 0.00 2.57 0.00 0.00 27.41 30.43 1jsa h HIS 90 CO 0.13 -0.40 0.12 1.98 -3.07 0.00 0.00 177.93 176.68 1jsa h MET 91 N -0.14 0.12 -0.83 5.12 1.85 -1.24 1.06 114.93 120.87 1jsa h MET 91 Ca 0.24 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.34 1jsa h MET 91 Cb 0.56 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.52 1jsa h MET 91 CO -0.77 0.08 0.55 1.15 -0.40 0.00 0.00 176.91 177.52 1jsa h THR 92 N 0.12 1.19 0.00 -0.77 2.02 0.14 -3.36 112.91 112.26 1jsa h THR 92 Ca 0.52 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1jsa h THR 92 Cb 1.04 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1jsa h THR 92 CO -0.73 0.20 0.00 -1.20 0.37 0.00 0.00 175.52 174.16 1jsa n SER 93 N -4.42 0.00 -4.32 4.18 7.64 0.32 -4.80 113.62 112.23 1jsa n SER 93 Ca 0.10 0.03 -0.58 0.00 1.01 0.00 0.00 58.87 59.43 1jsa n SER 93 Cb 0.05 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jsa n ALA 94 N -0.88 0.35 -3.00 -0.43 0.00 0.11 -4.80 120.51 111.87 1jsa n ALA 94 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jsa n ALA 94 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 7.09 4.79 3.75 0.00 0.00 -1.26 -4.67 105.19 114.89 1jsa n GLY 95 Ca 0.50 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1jsa n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 96 N 0.00 -3.91 0.00 1.61 4.76 -1.26 -4.92 118.16 114.44 1jsa n LYS 96 Ca 0.00 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1jsa n LYS 96 Cb 0.00 -4.89 0.00 0.00 -1.84 0.00 0.00 35.03 28.30 1jsa n LYS 96 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1jsa n THR 97 N -4.26 0.00 -1.98 -0.18 5.66 -1.26 -5.07 114.28 107.19 1jsa n THR 97 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1jsa n THR 97 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1jsa n THR 97 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1jsa n ASN 98 N 0.00 0.00 0.10 1.09 0.23 -1.26 -4.91 115.26 110.51 1jsa n ASN 98 Ca 0.00 -1.12 0.03 0.00 -0.53 0.00 0.00 54.58 52.96 1jsa n ASN 98 Cb 0.00 -0.02 -0.01 0.00 -2.08 0.00 0.00 39.78 37.67 1jsa n ASN 98 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1jsa h GLN 99 N 0.00 0.00 0.00 -3.83 4.20 -1.97 -3.41 115.11 110.10 1jsa h GLN 99 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jsa h GLN 99 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1jsa h GLN 99 CO 0.00 0.34 0.00 1.17 -0.67 0.00 0.00 178.83 179.67 1jsa n LYS 100 N -3.04 0.00 0.00 1.46 4.81 -1.26 -4.59 118.16 115.54 1jsa n LYS 100 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1jsa n LYS 100 Cb 0.74 -0.45 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1jsa n LYS 100 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jsa n LEU 101 N 0.00 0.00 -0.10 3.14 4.77 -1.26 -3.57 117.00 119.98 1jsa n LEU 101 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1jsa n LEU 101 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1jsa n LEU 101 CO 0.00 0.00 0.25 1.21 -1.33 0.00 0.00 177.39 177.52 1jsa n GLU 102 N 0.00 -0.10 -0.16 3.23 0.00 -1.26 0.24 120.64 122.58 1jsa n GLU 102 Ca 0.00 0.64 0.25 0.00 0.00 0.00 0.00 57.16 58.05 1jsa n GLU 102 Cb 0.00 -0.95 0.38 0.00 0.00 0.00 0.00 31.44 30.87 1jsa n GLU 102 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 1jsa n TRP 103 N -3.50 0.00 0.15 4.31 -0.00 -1.23 -0.06 117.44 117.11 1jsa n TRP 103 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.37 1jsa n TRP 103 Cb 0.06 -0.23 -0.08 0.00 -0.00 0.00 0.00 31.31 31.06 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 0.46 -0.37 0.00 5.87 0.00 0.27 -2.57 119.26 122.92 1jsa h ALA 104 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jsa h ALA 104 Cb 2.77 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.71 1jsa h ALA 104 CO -0.00 -0.57 0.18 0.34 0.00 0.00 0.00 179.25 179.19 1jsa n PHE 105 N -5.14 0.00 -0.08 0.00 7.35 0.91 -1.03 117.46 119.48 1jsa n PHE 105 Ca -0.10 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.45 1jsa n PHE 105 Cb 0.24 -0.17 -0.10 0.00 0.35 0.00 0.00 39.48 39.80 1jsa n PHE 105 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1jsa h SER 106 N 0.00 0.00 -0.09 -2.13 0.02 -1.55 -3.17 113.55 106.63 1jsa h SER 106 Ca 0.00 -0.67 0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1jsa h SER 106 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jsa h SER 106 CO 0.00 1.08 0.00 0.25 -1.14 0.00 0.00 176.83 177.02 1jsa h LEU 107 N -1.00 -0.03 -2.23 5.07 6.46 -1.18 -1.33 115.31 121.07 1jsa h LEU 107 Ca -0.11 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1jsa h LEU 107 Cb 0.95 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1jsa h LEU 107 CO -0.06 -0.00 0.15 1.88 -0.62 0.00 0.00 178.44 179.79 1jsa h TYR 108 N 0.03 0.00 -0.38 1.25 0.05 -1.71 -2.95 116.97 113.27 1jsa h TYR 108 Ca 0.04 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.24 1jsa h TYR 108 Cb 0.04 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 1jsa h TYR 108 CO -0.12 0.00 2.33 -3.47 -1.05 0.00 0.00 178.16 175.85 1jsa n ASP 109 N -3.95 7.68 -0.06 3.88 2.03 -0.50 -4.73 116.55 120.90 1jsa n ASP 109 Ca 0.01 -2.75 -0.05 0.00 0.52 0.00 0.00 54.79 52.52 1jsa n ASP 109 Cb 0.27 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.18 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 2.61 0.00 -1.32 5.18 2.07 -1.69 0.24 116.25 123.34 1jsa h VAL 110 Ca 0.65 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.60 1jsa h VAL 110 Cb 0.58 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 1jsa h VAL 110 CO 1.31 0.00 0.86 -2.24 0.02 0.00 0.00 177.57 177.52 1jsa h ASP 111 N -0.13 0.24 -1.70 0.57 2.03 -1.92 -3.45 116.42 112.07 1jsa h ASP 111 Ca 0.03 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1jsa h ASP 111 Cb 0.20 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1jsa h ASP 111 CO -0.21 -0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.46 1jsa n GLY 112 N -1.54 0.02 0.00 7.15 0.00 0.86 -5.11 105.19 106.57 1jsa n GLY 112 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.39 0.00 -0.15 1.61 0.23 -1.26 -5.06 115.26 110.24 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jsa n ASN 113 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsa n GLY 114 N 0.00 -0.63 3.26 4.83 0.00 -1.26 -5.09 105.19 106.30 1jsa n GLY 114 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N 0.00 -0.01 0.36 2.61 -4.23 -1.26 -3.78 115.64 109.34 1jsa s THR 115 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1jsa s THR 115 Cb 0.00 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1jsa s THR 115 CO 0.00 0.01 0.60 -0.63 -0.54 0.00 0.00 174.62 174.06 1jsa s ILE 116 N 0.54 5.05 0.31 2.99 1.01 0.84 -4.84 121.20 127.10 1jsa s ILE 116 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1jsa s ILE 116 Cb -0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1jsa s ILE 116 CO -0.03 -0.57 0.30 -0.94 0.00 0.00 0.00 174.94 173.69 1jsa s SER 117 N -3.88 1.20 0.06 3.58 1.04 -1.26 -1.80 113.70 112.64 1jsa s SER 117 Ca 0.42 -1.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 1jsa s SER 117 Cb -0.10 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.40 1jsa s SER 117 CO 0.37 -1.07 1.62 0.50 0.98 0.00 0.00 173.24 175.64 1jsa h LYS 118 N 2.22 0.00 -0.93 4.02 3.64 -1.90 -1.03 116.57 122.60 1jsa h LYS 118 Ca -0.28 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1jsa h LYS 118 Cb 1.24 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.96 1jsa h LYS 118 CO 0.40 0.12 0.54 -0.97 -2.27 0.00 0.00 179.45 177.27 1jsa h ASN 119 N -0.12 0.69 0.27 4.20 -0.00 -1.97 0.10 115.58 118.75 1jsa h ASN 119 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 1jsa h ASN 119 Cb 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1jsa h ASN 119 CO -0.00 0.28 -0.13 -0.33 -0.00 0.00 0.00 177.43 177.26 1jsa h GLU 120 N 0.74 -0.34 -0.52 6.67 5.08 -1.84 -2.66 114.58 121.71 1jsa h GLU 120 Ca 0.52 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 59.05 1jsa h GLU 120 Cb 0.73 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1jsa h GLU 120 CO -0.36 -0.03 0.42 0.28 -1.00 0.00 0.00 179.01 178.33 1jsa h VAL 121 N -0.69 0.58 -0.11 3.13 2.07 -0.38 0.24 116.25 121.09 1jsa h VAL 121 Ca -0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 1jsa h VAL 121 Cb 0.48 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jsa h VAL 121 CO 0.06 0.00 -0.55 -0.07 0.02 0.00 0.00 177.57 177.03 1jsa h LEU 122 N 0.00 0.36 0.19 2.57 3.38 -0.51 -1.90 115.31 119.40 1jsa h LEU 122 Ca 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jsa h LEU 122 Cb 1.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1jsa h LEU 122 CO -0.00 0.84 -0.09 -0.33 0.09 0.00 0.00 178.44 178.95 1jsa h GLU 123 N 0.25 -0.24 -0.25 1.13 3.07 -0.19 0.34 114.58 118.68 1jsa h GLU 123 Ca 0.00 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1jsa h GLU 123 Cb 1.05 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1jsa h GLU 123 CO 0.09 0.07 0.16 0.82 -1.40 0.00 0.00 179.01 178.75 1jsa h ILE 124 N -0.58 1.05 -0.57 3.13 1.08 -1.52 0.53 117.51 120.62 1jsa h ILE 124 Ca -0.03 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1jsa h ILE 124 Cb 0.43 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1jsa h ILE 124 CO 0.04 0.06 0.33 0.58 -0.69 0.00 0.00 178.15 178.48 1jsa h VAL 125 N 0.32 1.18 0.39 1.67 2.07 -1.33 -0.25 116.25 120.30 1jsa h VAL 125 Ca 0.09 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1jsa h VAL 125 Cb -0.02 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1jsa h VAL 125 CO -0.03 0.19 -0.19 0.74 0.02 0.00 0.00 177.57 178.30 1jsa h THR 126 N 0.77 0.58 -0.80 2.57 2.02 0.16 -2.15 112.91 116.06 1jsa h THR 126 Ca 0.20 -0.42 0.17 0.00 0.77 0.00 0.00 66.41 67.13 1jsa h THR 126 Cb 0.01 0.78 -0.11 0.00 -1.74 0.00 0.00 68.15 67.09 1jsa h THR 126 CO -0.04 0.07 0.31 0.00 0.37 0.00 0.00 175.52 176.24 1jsa h ALA 127 N -0.30 1.17 -0.05 6.16 0.00 0.16 0.03 119.26 126.44 1jsa h ALA 127 Ca -0.05 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jsa h ALA 127 Cb 0.53 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1jsa h ALA 127 CO 0.09 -0.26 -0.15 0.82 0.00 0.00 0.00 179.25 179.75 1jsa h ILE 128 N 0.41 0.62 -1.06 0.00 2.04 -0.88 -0.27 117.51 118.38 1jsa h ILE 128 Ca 0.46 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.65 1jsa h ILE 128 Cb 0.77 0.62 -0.14 0.00 -0.74 0.00 0.00 36.82 37.33 1jsa h ILE 128 CO -0.46 0.00 0.63 -0.26 0.00 0.00 0.00 178.15 178.06 1jsa h PHE 129 N -0.23 0.83 -0.28 1.37 -1.00 -0.32 2.28 116.94 119.60 1jsa h PHE 129 Ca 0.07 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.80 1jsa h PHE 129 Cb 0.32 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1jsa h PHE 129 CO -0.23 -0.15 -0.16 -0.22 -1.61 0.00 0.00 178.31 175.95 1jsa h LYS 130 N 0.30 0.48 0.00 1.51 1.63 -0.68 -1.11 116.57 118.70 1jsa h LYS 130 Ca 0.73 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1jsa h LYS 130 Cb 1.79 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1jsa h LYS 130 CO -0.53 0.63 0.00 -0.12 -3.45 0.00 0.00 179.45 175.98 1jsa n MET 131 N -4.18 0.04 -2.84 1.90 1.56 0.76 -3.08 117.12 111.28 1jsa n MET 131 Ca 0.00 0.21 -0.42 0.00 -0.27 0.00 0.00 57.70 57.22 1jsa n MET 131 Cb 0.34 -1.50 -0.04 0.00 2.15 0.00 0.00 33.22 34.18 1jsa n MET 131 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1jsa s ILE 132 N -2.93 4.82 0.54 1.12 1.01 -0.42 -4.50 121.20 120.84 1jsa s ILE 132 Ca 0.09 1.70 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1jsa s ILE 132 Cb 0.11 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 1jsa s ILE 132 CO 0.29 -0.05 1.10 -0.55 0.00 0.00 0.00 174.94 175.73 1jsa s SER 133 N 1.24 5.86 0.22 3.58 0.15 -1.26 -4.78 113.70 118.71 1jsa s SER 133 Ca 0.38 2.08 -0.08 0.00 0.70 0.00 0.00 55.95 59.04 1jsa s SER 133 Cb -0.16 -2.57 0.33 0.00 -1.71 0.00 0.00 66.02 61.91 1jsa s SER 133 CO 0.09 -1.12 1.75 -0.65 1.20 0.00 0.00 173.24 174.51 1jsa h PRO 134 N 1.20 0.44 -1.09 5.44 0.11 -1.96 0.48 132.00 136.63 1jsa h PRO 134 Ca -0.50 -0.03 0.32 0.00 0.11 0.00 0.00 66.00 65.91 1jsa h PRO 134 Cb 1.25 -0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1jsa h PRO 134 CO 0.57 0.29 0.68 1.49 -0.21 0.00 0.00 178.00 180.82 1jsa h GLU 135 N 0.46 0.31 0.15 1.05 4.57 -1.95 0.23 114.58 119.40 1jsa h GLU 135 Ca 0.34 -0.02 -0.36 0.00 -1.18 0.00 0.00 59.36 58.14 1jsa h GLU 135 Cb 0.43 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1jsa h GLU 135 CO -0.32 0.21 -1.89 0.22 -1.18 0.00 0.00 179.01 176.04 1jsa h ASP 136 N 0.32 0.50 -0.01 1.04 3.58 -1.45 -3.32 116.42 117.08 1jsa h ASP 136 Ca 0.69 -0.95 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1jsa h ASP 136 Cb 1.78 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.67 1jsa h ASP 136 CO -0.43 1.83 0.03 0.74 -2.88 0.00 0.00 179.24 178.53 1jsa h THR 137 N 0.08 0.16 0.00 2.25 2.02 0.90 -2.49 112.91 115.82 1jsa h THR 137 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1jsa h THR 137 Cb 2.06 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1jsa h THR 137 CO 0.12 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.18 1jsa n LYS 138 N -3.30 0.00 -0.12 6.66 3.00 0.61 -1.11 118.16 123.90 1jsa n LYS 138 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.29 1jsa n LYS 138 Cb 0.10 -1.00 0.01 0.00 0.00 0.00 0.00 35.03 34.15 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jsa n HIS 139 N -0.33 0.00 -1.38 5.64 8.25 -0.94 -5.06 115.22 121.40 1jsa n HIS 139 Ca 0.00 -0.19 -0.56 0.00 -0.26 0.00 0.00 57.72 56.71 1jsa n HIS 139 Cb 0.00 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 30.98 1jsa n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jsa n LEU 140 N -0.24 1.48 -4.74 2.41 4.77 -0.27 -4.85 117.00 115.56 1jsa n LEU 140 Ca 0.02 0.61 -0.35 0.00 -0.03 0.00 0.00 56.01 56.25 1jsa n LEU 140 Cb 0.51 -1.07 0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1jsa n LEU 140 CO 0.00 -0.73 0.81 -2.16 -1.33 0.00 0.00 177.39 173.97 1jsa s PRO 141 N 5.83 2.49 0.00 3.23 0.05 -1.26 -4.83 135.00 140.51 1jsa s PRO 141 Ca 1.14 1.73 0.00 0.00 0.05 0.00 0.00 61.00 63.92 1jsa s PRO 141 Cb -1.19 -1.88 0.00 0.00 0.05 0.00 0.00 34.50 31.48 1jsa s PRO 141 CO 0.59 -1.56 0.31 0.39 0.05 0.00 0.00 177.00 176.78 1jsa n GLU 142 N -2.33 0.45 0.00 4.56 1.02 -1.26 -1.62 120.64 121.46 1jsa n GLU 142 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1jsa n GLU 142 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1jsa n GLU 142 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jsa n ASP 143 N -0.03 0.33 -2.84 1.62 8.00 -1.26 -4.88 116.55 117.50 1jsa n ASP 143 Ca 0.00 -0.68 -0.11 0.00 0.71 0.00 0.00 54.79 54.71 1jsa n ASP 143 Cb 0.07 0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.51 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jsa n GLU 144 N -0.29 0.92 -0.09 -1.24 1.02 -0.64 -4.80 120.64 115.52 1jsa n GLU 144 Ca 0.00 -2.20 0.08 0.00 -0.02 0.00 0.00 57.16 55.02 1jsa n GLU 144 Cb 0.05 -1.26 0.12 0.00 -0.02 0.00 0.00 31.44 30.33 1jsa n GLU 144 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jsa n ASN 145 N 0.77 2.70 -3.81 1.62 4.13 -1.22 -4.37 115.26 115.08 1jsa n ASN 145 Ca 0.11 -1.79 -0.12 0.00 1.68 0.00 0.00 54.58 54.46 1jsa n ASN 145 Cb 0.66 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.69 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1jsa s THR 146 N -1.21 0.08 0.52 3.41 -4.23 -1.26 -5.02 115.64 107.93 1jsa s THR 146 Ca 0.24 -0.65 0.23 0.00 -1.18 0.00 0.00 61.69 60.32 1jsa s THR 146 Cb 0.15 -0.66 0.37 0.00 1.34 0.00 0.00 72.50 73.70 1jsa s THR 146 CO 0.21 -0.36 2.01 -0.65 -0.54 0.00 0.00 174.62 175.29 1jsa h PRO 147 N 3.83 0.05 0.00 3.99 0.10 -1.94 0.45 132.00 138.48 1jsa h PRO 147 Ca -0.31 -0.00 -0.06 0.00 0.10 0.00 0.00 66.00 65.73 1jsa h PRO 147 Cb 1.19 -0.01 -0.01 0.00 0.10 0.00 0.00 31.00 32.27 1jsa h PRO 147 CO 0.43 0.04 -0.26 0.93 0.10 0.00 0.00 178.00 179.23 1jsa h GLU 148 N 0.06 0.00 0.00 1.05 5.08 -1.96 0.35 114.58 119.15 1jsa h GLU 148 Ca 0.23 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1jsa h GLU 148 Cb 0.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1jsa h GLU 148 CO -0.01 0.26 -1.10 0.87 -1.00 0.00 0.00 179.01 178.02 1jsa h LYS 149 N 0.00 0.00 0.04 2.33 1.57 -0.50 -3.34 116.57 116.67 1jsa h LYS 149 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1jsa h LYS 149 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1jsa h LYS 149 CO 0.03 0.68 -1.64 0.00 -0.57 0.00 0.00 179.45 177.96 1jsa h ARG 150 N 0.00 0.08 -1.27 3.15 3.08 -1.15 -3.32 114.38 114.95 1jsa h ARG 150 Ca -0.09 -0.15 0.37 0.00 0.07 0.00 0.00 59.98 60.18 1jsa h ARG 150 Cb 1.71 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.74 1jsa h ARG 150 CO 0.09 0.77 0.88 0.00 -1.07 0.00 0.00 179.97 180.64 1jsa h ALA 151 N 0.77 2.94 -0.17 0.04 0.00 -1.05 2.17 119.26 123.95 1jsa h ALA 151 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1jsa h ALA 151 Cb 1.99 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1jsa h ALA 151 CO 0.10 -1.37 -0.25 1.49 0.00 0.00 0.00 179.25 179.23 1jsa h GLU 152 N 0.11 0.31 -0.02 0.00 4.81 -1.73 0.12 114.58 118.18 1jsa h GLU 152 Ca 0.65 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1jsa h GLU 152 Cb 2.31 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.66 1jsa h GLU 152 CO -0.14 0.54 0.01 -0.22 -0.73 0.00 0.00 179.01 178.48 1jsa h LYS 153 N 0.28 0.03 0.00 1.92 1.63 0.34 -1.28 116.57 119.49 1jsa h LYS 153 Ca 0.04 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1jsa h LYS 153 Cb 0.59 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1jsa h LYS 153 CO 0.04 0.10 0.00 -0.89 -3.45 0.00 0.00 179.45 175.25 1jsa n ILE 154 N -5.03 0.00 -0.56 2.00 5.41 -1.08 -2.45 119.36 117.64 1jsa n ILE 154 Ca -0.07 0.13 0.45 0.00 1.00 0.00 0.00 62.75 64.27 1jsa n ILE 154 Cb 0.07 -0.49 0.74 0.00 -0.71 0.00 0.00 39.64 39.25 1jsa n ILE 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1jsa h TRP 155 N 0.00 0.30 -0.12 1.39 2.91 -0.94 1.24 115.95 120.72 1jsa h TRP 155 Ca 0.00 0.01 -0.20 0.00 1.13 0.00 0.00 58.89 59.83 1jsa h TRP 155 Cb 0.00 -0.07 0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1jsa h TRP 155 CO 0.00 -0.15 -0.71 0.78 -1.03 0.00 0.00 178.44 177.32 1jsa h GLY 156 N 0.01 0.77 -0.07 2.65 0.00 -1.20 -2.38 103.07 102.86 1jsa h GLY 156 Ca 0.89 -1.11 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1jsa h GLY 156 CO -0.27 0.99 -0.11 0.74 0.00 0.00 0.00 176.54 177.89 1jsa h PHE 157 N 0.38 -0.33 0.28 5.60 -1.00 0.19 -2.75 116.94 119.32 1jsa h PHE 157 Ca -0.05 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1jsa h PHE 157 Cb 1.35 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 41.04 1jsa h PHE 157 CO 0.10 -0.10 -0.38 0.74 -1.61 0.00 0.00 178.31 177.05 1jsa h PHE 158 N -0.09 -1.08 0.00 -0.55 -1.00 -1.66 -3.48 116.94 109.08 1jsa h PHE 158 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1jsa h PHE 158 Cb 0.12 0.44 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1jsa h PHE 158 CO -0.59 -0.49 0.00 0.41 -1.61 0.00 0.00 178.31 176.04 1jsa n GLY 159 N -1.40 0.19 0.73 -1.45 0.00 -0.89 -5.15 105.19 97.22 1jsa n GLY 159 Ca -0.08 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.45 0.00 1.61 4.76 -1.26 -4.36 118.16 117.46 1jsa n LYS 160 Ca 0.00 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1jsa n LYS 160 Cb 0.00 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 1jsa n LYS 160 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jsa n LYS 161 N -2.40 0.00 0.00 1.97 4.76 -1.26 -4.96 118.16 116.27 1jsa n LYS 161 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jsa n LYS 161 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jsa n ASP 162 N -0.46 0.00 -2.23 4.39 8.00 -1.26 -4.82 116.55 120.18 1jsa n ASP 162 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1jsa n ASP 162 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jsa n ASP 163 N -1.71 5.77 -3.70 -2.24 2.03 -1.26 -4.76 116.55 110.68 1jsa n ASP 163 Ca 0.00 -3.72 -0.30 0.00 0.52 0.00 0.00 54.79 51.30 1jsa n ASP 163 Cb 0.00 -0.88 -0.14 0.00 -0.72 0.00 0.00 41.12 39.37 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 -1.71 3.82 0.19 1.67 1.11 -1.26 -5.12 116.67 115.37 1jsa s ASP 164 Ca 0.60 -1.91 -0.17 0.00 0.18 0.00 0.00 52.55 51.25 1jsa s ASP 164 Cb 0.49 -0.84 -0.08 0.00 1.07 0.00 0.00 42.92 43.56 1jsa s ASP 164 CO 0.04 -0.37 0.64 -0.54 1.18 0.00 0.00 175.17 176.12 1jsa s LYS 165 N 1.28 4.10 -0.11 8.23 1.02 -1.26 -4.45 119.74 128.56 1jsa s LYS 165 Ca 0.12 0.67 -0.15 0.00 0.02 0.00 0.00 55.97 56.64 1jsa s LYS 165 Cb -0.19 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1jsa s LYS 165 CO -0.17 0.43 0.36 -1.17 -0.92 0.00 0.00 175.35 173.87 1jsa s LEU 166 N -2.01 4.32 0.42 3.17 2.96 -0.74 -4.83 118.68 121.95 1jsa s LEU 166 Ca 0.41 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1jsa s LEU 166 Cb -0.16 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1jsa s LEU 166 CO 0.20 0.15 0.66 0.42 -1.32 0.00 0.00 176.35 176.46 1jsa s THR 167 N 0.05 4.88 0.07 3.68 -4.23 -1.26 -0.11 115.64 118.71 1jsa s THR 167 Ca 0.20 -0.20 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 1jsa s THR 167 Cb -0.14 -3.81 -0.12 0.00 1.34 0.00 0.00 72.50 69.76 1jsa s THR 167 CO 0.08 -0.64 1.56 1.05 -0.54 0.00 0.00 174.62 176.12 1jsa h GLU 168 N 0.49 0.19 -1.12 3.99 4.11 -1.97 0.21 114.58 120.48 1jsa h GLU 168 Ca -0.48 -0.04 0.33 0.00 0.07 0.00 0.00 59.36 59.23 1jsa h GLU 168 Cb 1.22 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1jsa h GLU 168 CO 0.61 0.35 0.71 0.87 0.07 0.00 0.00 179.01 181.61 1jsa h LYS 169 N 0.00 0.28 0.07 1.06 1.57 -1.95 -1.58 116.57 116.03 1jsa h LYS 169 Ca 0.04 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 1jsa h LYS 169 Cb 0.24 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1jsa h LYS 169 CO -0.00 0.18 -1.72 0.39 -0.57 0.00 0.00 179.45 177.73 1jsa n GLU 170 N -4.74 0.68 0.25 3.15 4.71 -1.05 -3.83 120.64 119.80 1jsa n GLU 170 Ca 0.30 0.39 0.09 0.00 -0.01 0.00 0.00 57.16 57.93 1jsa n GLU 170 Cb 1.07 -1.72 0.32 0.00 -1.01 0.00 0.00 31.44 30.10 1jsa n GLU 170 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1jsa h PHE 171 N -0.38 0.00 0.07 -0.32 3.57 0.38 2.39 116.94 122.64 1jsa h PHE 171 Ca -0.40 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.80 1jsa h PHE 171 Cb 1.73 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.45 1jsa h PHE 171 CO 0.08 0.00 -1.63 0.82 -2.23 0.00 0.00 178.31 175.36 1jsa h ILE 172 N 0.00 1.00 0.00 1.41 2.04 -1.55 -3.30 117.51 117.11 1jsa h ILE 172 Ca 0.07 -2.74 -0.01 0.00 1.00 0.00 0.00 64.86 63.18 1jsa h ILE 172 Cb 1.69 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 40.37 1jsa h ILE 172 CO -0.00 0.73 -0.35 -0.33 0.00 0.00 0.00 178.15 178.20 1jsa h GLU 173 N 0.04 0.00 0.00 2.37 5.08 0.37 -1.98 114.58 120.46 1jsa h GLU 173 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jsa h GLU 173 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1jsa h GLU 173 CO 0.12 0.04 0.73 0.78 -1.00 0.00 0.00 179.01 179.68 1jsa h GLY 174 N -1.00 0.00 0.04 -3.84 0.00 -0.56 1.42 103.07 99.14 1jsa h GLY 174 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 1jsa h GLY 174 CO -0.01 0.00 -2.32 2.41 0.00 0.00 0.00 176.54 176.62 1jsa n THR 175 N -2.59 1.27 0.42 4.70 -1.04 -1.24 -4.21 114.28 111.58 1jsa n THR 175 Ca -0.01 -0.82 0.13 0.00 -2.04 0.00 0.00 64.05 61.31 1jsa n THR 175 Cb 0.75 -0.44 0.32 0.00 -1.82 0.00 0.00 70.33 69.14 1jsa n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1jsa h LEU 176 N 0.00 0.00 -0.02 -4.42 3.38 0.26 -3.27 115.31 111.24 1jsa h LEU 176 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1jsa h LEU 176 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1jsa h LEU 176 CO 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.47 1jsa h ALA 177 N 2.26 0.04 -2.96 1.53 0.00 -1.02 -3.43 119.26 115.68 1jsa h ALA 177 Ca 0.00 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 53.96 1jsa h ALA 177 Cb 0.82 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 1jsa h ALA 177 CO 0.00 -0.08 -0.33 -0.80 0.00 0.00 0.00 179.25 178.04 1jsa s ASN 178 N -5.99 6.49 0.00 0.00 -0.87 -1.23 -4.95 114.94 108.38 1jsa s ASN 178 Ca -0.16 0.58 0.29 0.00 -1.57 0.00 0.00 52.86 51.99 1jsa s ASN 178 Cb 0.01 -2.18 1.19 0.00 -0.02 0.00 0.00 41.25 40.26 1jsa s ASN 178 CO 0.71 0.19 1.88 0.29 -2.57 0.00 0.00 177.10 177.60 1jsa n LYS 179 N 3.01 0.09 0.15 -0.60 4.76 -1.26 -3.19 118.16 121.11 1jsa n LYS 179 Ca -0.14 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.42 1jsa n LYS 179 Cb 0.52 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.41 1jsa n LYS 179 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1jsa h GLU 180 N 0.03 0.00 0.00 1.97 5.08 -1.92 -3.31 114.58 116.42 1jsa h GLU 180 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1jsa h GLU 180 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1jsa h GLU 180 CO 0.00 0.00 -1.57 -0.89 -1.00 0.00 0.00 179.01 175.55 1jsa n ILE 181 N -2.66 1.36 0.00 3.13 5.41 -1.19 -3.78 119.36 121.62 1jsa n ILE 181 Ca 0.04 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 63.05 1jsa n ILE 181 Cb 0.49 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 1jsa n ILE 181 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1jsa n LEU 182 N -2.94 0.00 0.00 1.39 0.00 -1.24 -2.91 117.00 111.30 1jsa n LEU 182 Ca -0.13 0.61 0.10 0.00 0.00 0.00 0.00 56.01 56.59 1jsa n LEU 182 Cb 0.93 -0.11 0.57 0.00 0.00 0.00 0.00 43.42 44.81 1jsa n LEU 182 CO 0.44 -0.11 0.80 0.54 0.00 0.00 0.00 177.39 179.06 1jsa n ARG 183 N -0.90 0.53 -0.06 1.96 1.74 -1.26 -3.77 116.66 114.90 1jsa n ARG 183 Ca 0.00 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 1jsa n ARG 183 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1jsa n ARG 183 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1jsa h LEU 184 N 0.00 0.00 -2.86 0.55 5.85 -1.65 -3.32 115.31 113.88 1jsa h LEU 184 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1jsa h LEU 184 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1jsa h LEU 184 CO 0.00 0.67 0.00 2.30 -0.34 0.00 0.00 178.44 181.07 1jsa n ILE 185 N -4.70 0.55 -2.43 4.05 -6.64 -1.14 -4.79 119.36 104.26 1jsa n ILE 185 Ca -0.05 -0.10 -0.42 0.00 -1.77 0.00 0.00 62.75 60.41 1jsa n ILE 185 Cb 0.16 -0.94 -0.03 0.00 -1.44 0.00 0.00 39.64 37.39 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1jsa s GLN 186 N 0.97 4.31 0.18 6.28 0.74 -1.25 -4.92 119.66 125.97 1jsa s GLN 186 Ca 0.00 1.69 -0.17 0.00 0.05 0.00 0.00 55.36 56.93 1jsa s GLN 186 Cb 0.00 -3.63 0.13 0.00 1.10 0.00 0.00 33.01 30.61 1jsa s GLN 186 CO 0.00 -0.55 1.64 0.74 -0.55 0.00 0.00 175.29 176.58 1jsa h PHE 187 N 7.75 -0.35 0.00 1.67 0.04 -1.95 -3.53 116.94 120.58 1jsa h PHE 187 Ca -0.32 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1jsa h PHE 187 Cb 1.14 0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.52 1jsa h PHE 187 CO 0.76 -0.24 0.00 0.39 -0.60 0.00 0.00 178.31 178.62