#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 -4.82 1.61 6.94 -1.26 -4.98 115.26 112.76 1jsa n ASN 2 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 1jsa n ASN 2 Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1jsa s SER 3 N -1.48 5.74 -0.24 0.53 1.04 -1.26 -5.06 113.70 112.97 1jsa s SER 3 Ca 0.00 1.70 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 1jsa s SER 3 Cb 0.00 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.69 1jsa s SER 3 CO 0.00 -1.20 0.58 -0.75 0.98 0.00 0.00 173.24 172.85 1jsa s LYS 4 N -4.47 0.57 -0.04 4.02 2.20 -1.26 -5.03 119.74 115.72 1jsa s LYS 4 Ca 0.61 1.11 0.13 0.00 -0.36 0.00 0.00 55.97 57.46 1jsa s LYS 4 Cb -0.14 0.20 0.24 0.00 -1.51 0.00 0.00 37.83 36.62 1jsa s LYS 4 CO 0.44 -0.17 1.10 -1.13 -0.36 0.00 0.00 175.35 175.23 1jsa n SER 5 N 4.54 0.88 -0.07 1.43 3.41 -1.26 -4.57 113.62 117.98 1jsa n SER 5 Ca -0.19 -2.39 -0.10 0.00 -0.26 0.00 0.00 58.87 55.94 1jsa n SER 5 Cb 0.56 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1jsa n SER 5 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jsa h GLY 6 N 0.46 0.00 -0.52 5.00 0.00 -2.05 -3.39 103.07 102.56 1jsa h GLY 6 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1jsa h GLY 6 CO 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.18 1jsa n ALA 7 N -2.96 3.27 0.00 3.60 0.00 -1.26 -5.01 120.51 118.15 1jsa n ALA 7 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1jsa n ALA 7 Cb 0.34 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.42 0.00 0.00 0.00 -0.00 -1.26 -4.47 117.00 110.85 1jsa n LEU 8 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1jsa n LEU 8 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1jsa n LEU 8 CO 0.21 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 176.06 1jsa n SER 9 N 0.00 0.00 0.16 1.45 3.41 -1.26 -3.76 113.62 113.61 1jsa n SER 9 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1jsa n SER 9 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1jsa n SER 9 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jsa h LYS 10 N 0.00 -0.39 0.00 4.33 1.63 -1.98 1.86 116.57 122.02 1jsa h LYS 10 Ca 0.00 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1jsa h LYS 10 Cb 0.00 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1jsa h LYS 10 CO 0.00 -0.26 -0.04 0.93 -3.45 0.00 0.00 179.45 176.63 1jsa h GLU 11 N -0.41 0.00 0.01 1.90 3.07 -1.93 -0.35 114.58 116.87 1jsa h GLU 11 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jsa h GLU 11 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1jsa h GLU 11 CO -0.01 0.04 -0.00 0.82 -1.40 0.00 0.00 179.01 178.46 1jsa h ILE 12 N 0.00 0.00 -1.22 3.13 1.08 -1.43 -3.30 117.51 115.77 1jsa h ILE 12 Ca -0.00 -0.22 0.35 0.00 -0.39 0.00 0.00 64.86 64.60 1jsa h ILE 12 Cb 0.07 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.77 1jsa h ILE 12 CO 0.00 0.00 1.01 -0.07 -0.69 0.00 0.00 178.15 178.41 1jsa h LEU 13 N -0.23 0.00 -1.92 1.44 3.38 0.28 2.12 115.31 120.39 1jsa h LEU 13 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1jsa h LEU 13 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1jsa h LEU 13 CO 0.00 0.00 0.70 -0.08 0.09 0.00 0.00 178.44 179.15 1jsa h GLU 14 N 0.00 0.00 -0.00 1.13 4.57 -1.13 2.13 114.58 121.28 1jsa h GLU 14 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 1jsa h GLU 14 Cb 2.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.19 1jsa h GLU 14 CO -0.01 0.00 -0.48 0.39 -1.18 0.00 0.00 179.01 177.73 1jsa n GLU 15 N -4.00 0.22 0.05 1.92 4.71 0.72 -4.28 120.64 119.98 1jsa n GLU 15 Ca 0.18 -0.14 0.14 0.00 -0.01 0.00 0.00 57.16 57.33 1jsa n GLU 15 Cb 1.00 -1.50 0.21 0.00 -1.01 0.00 0.00 31.44 30.14 1jsa n GLU 15 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1jsa n LEU 16 N -1.27 0.00 0.11 -4.62 -0.00 0.72 0.27 117.00 112.21 1jsa n LEU 16 Ca 0.07 0.62 -0.18 0.00 -0.00 0.00 0.00 56.01 56.51 1jsa n LEU 16 Cb 0.34 -0.13 -0.14 0.00 -0.00 0.00 0.00 43.42 43.50 1jsa n LEU 16 CO 0.33 -0.62 -0.08 -0.61 -0.00 0.00 0.00 177.39 176.42 1jsa h GLN 17 N 0.00 0.38 0.00 1.47 4.15 -1.74 -3.25 115.11 116.11 1jsa h GLN 17 Ca 0.24 -0.61 -0.08 0.00 0.77 0.00 0.00 58.65 58.98 1jsa h GLN 17 Cb 2.42 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 30.31 1jsa h GLN 17 CO -0.00 1.28 -0.36 1.25 -1.93 0.00 0.00 178.83 179.06 1jsa h LEU 18 N 0.12 0.00 -7.22 -2.39 5.85 0.34 -3.44 115.31 108.58 1jsa h LEU 18 Ca -0.16 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1jsa h LEU 18 Cb 1.99 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 42.76 1jsa h LEU 18 CO 0.22 0.36 -0.28 0.54 -0.34 0.00 0.00 178.44 178.94 1jsa s ASN 19 N -6.51 -0.53 -0.50 1.25 2.20 -0.94 -4.70 114.94 105.21 1jsa s ASN 19 Ca -0.01 0.91 -0.26 0.00 -0.94 0.00 0.00 52.86 52.56 1jsa s ASN 19 Cb 0.12 0.80 -0.07 0.00 -2.00 0.00 0.00 41.25 40.10 1jsa s ASN 19 CO 0.69 -0.19 2.41 0.28 -2.94 0.00 0.00 177.10 177.34 1jsa s THR 20 N 1.33 3.01 0.13 0.54 -1.32 -1.25 -4.39 115.64 113.68 1jsa s THR 20 Ca -0.09 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.07 1jsa s THR 20 Cb -0.08 -3.01 -0.12 0.00 -1.51 0.00 0.00 72.50 67.78 1jsa s THR 20 CO -0.12 -0.01 1.76 1.17 -2.21 0.00 0.00 174.62 175.20 1jsa n LYS 21 N 9.01 2.56 -0.28 7.08 3.00 -1.26 -4.67 118.16 133.60 1jsa n LYS 21 Ca 0.37 0.93 -0.02 0.00 -0.00 0.00 0.00 58.31 59.58 1jsa n LYS 21 Cb 0.55 -2.78 0.03 0.00 0.00 0.00 0.00 35.03 32.83 1jsa n LYS 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1jsa h PHE 22 N 7.62 -0.91 -0.98 5.64 3.04 -1.96 -3.40 116.94 125.99 1jsa h PHE 22 Ca -0.46 0.08 0.16 0.00 3.98 0.00 0.00 57.97 61.73 1jsa h PHE 22 Cb 1.23 0.51 -0.22 0.00 2.56 0.00 0.00 35.95 40.04 1jsa h PHE 22 CO 0.73 -0.39 0.02 0.95 -2.02 0.00 0.00 178.31 177.60 1jsa s THR 23 N -6.02 -0.66 0.32 4.41 -4.23 -1.26 -4.98 115.64 103.22 1jsa s THR 23 Ca -0.14 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1jsa s THR 23 Cb 0.19 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 73.12 1jsa s THR 23 CO 0.71 0.00 1.17 1.05 -0.54 0.00 0.00 174.62 177.01 1jsa h GLU 24 N 7.84 0.00 -0.28 3.99 9.09 -2.01 2.59 114.58 135.80 1jsa h GLU 24 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1jsa h GLU 24 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1jsa h GLU 24 CO 0.08 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.53 1jsa n GLU 25 N -2.16 1.83 -0.09 1.06 1.02 -1.26 -4.17 120.64 116.87 1jsa n GLU 25 Ca -0.01 -1.27 -0.13 0.00 -0.02 0.00 0.00 57.16 55.73 1jsa n GLU 25 Cb 0.57 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.58 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1jsa h GLU 26 N 2.29 0.00 -0.02 3.49 4.57 0.41 -3.35 114.58 121.97 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 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1jsa h GLU 26 CO 0.00 0.53 0.00 1.47 -1.18 0.00 0.00 179.01 179.83 1jsa n LEU 27 N -4.53 0.02 -0.06 1.64 -0.00 -1.26 -2.53 117.00 110.28 1jsa n LEU 27 Ca -0.19 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 55.76 1jsa n LEU 27 Cb 0.47 -0.01 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 1jsa n LEU 27 CO 0.15 0.01 0.07 0.28 -0.00 0.00 0.00 177.39 177.89 1jsa h SER 28 N 0.01 0.00 0.55 1.45 0.02 -1.73 -3.39 113.55 110.46 1jsa h SER 28 Ca 0.00 -0.28 -0.26 0.00 -0.84 0.00 0.00 61.79 60.41 1jsa h SER 28 Cb 0.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1jsa h SER 28 CO 0.00 0.68 -1.62 0.28 -1.14 0.00 0.00 176.83 175.03 1jsa h SER 29 N -1.00 0.00 0.00 3.07 0.02 -1.75 -3.33 113.55 110.56 1jsa h SER 29 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jsa h SER 29 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1jsa h SER 29 CO -0.01 0.90 0.43 1.87 -1.14 0.00 0.00 176.83 178.88 1jsa n TRP 30 N -3.01 0.19 0.00 3.45 -0.00 -1.05 -1.60 117.44 115.42 1jsa n TRP 30 Ca -0.15 0.10 -0.00 0.00 -0.00 0.00 0.00 57.50 57.45 1jsa n TRP 30 Cb 1.00 -0.34 -0.00 0.00 -0.00 0.00 0.00 31.31 31.96 1jsa n TRP 30 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 1jsa h TYR 31 N 0.00 -0.02 -0.34 5.87 3.20 -1.76 -2.95 116.97 120.98 1jsa h TYR 31 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1jsa h TYR 31 Cb 0.86 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1jsa h TYR 31 CO 0.00 -0.01 0.19 -0.56 -1.64 0.00 0.00 178.16 176.14 1jsa h GLN 32 N -0.14 0.38 -0.96 1.82 3.07 -1.58 -0.07 115.11 117.63 1jsa h GLN 32 Ca -0.00 -0.02 0.20 0.00 0.09 0.00 0.00 58.65 58.91 1jsa h GLN 32 Cb 0.01 -0.08 -0.08 0.00 0.08 0.00 0.00 27.48 27.40 1jsa h GLN 32 CO 0.00 0.25 0.61 1.03 0.09 0.00 0.00 178.83 180.81 1jsa h SER 33 N 0.39 0.58 0.30 0.06 0.87 -1.48 0.35 113.55 114.61 1jsa h SER 33 Ca 0.14 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 1jsa h SER 33 Cb 0.02 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1jsa h SER 33 CO -0.08 0.22 -0.77 0.15 -0.53 0.00 0.00 176.83 175.83 1jsa h PHE 34 N 0.57 0.53 -0.26 2.24 3.04 -1.04 0.18 116.94 122.21 1jsa h PHE 34 Ca 0.52 -0.25 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1jsa h PHE 34 Cb 1.05 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1jsa h PHE 34 CO -0.00 1.01 0.07 -0.07 -2.02 0.00 0.00 178.31 177.30 1jsa h LEU 35 N 0.25 0.33 0.00 0.59 3.38 0.14 1.60 115.31 121.61 1jsa h LEU 35 Ca -0.04 -0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 1jsa h LEU 35 Cb 1.36 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1jsa h LEU 35 CO 0.13 0.34 -1.66 0.29 0.09 0.00 0.00 178.44 177.63 1jsa n LYS 36 N -4.39 0.63 0.09 1.13 4.76 -0.44 -3.50 118.16 116.44 1jsa n LYS 36 Ca 0.01 0.28 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 1jsa n LYS 36 Cb 0.15 -1.79 0.10 0.00 -1.84 0.00 0.00 35.03 31.65 1jsa n LYS 36 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1jsa h GLU 37 N 0.00 0.00 -1.92 1.97 4.81 -0.20 -3.41 114.58 115.83 1jsa h GLU 37 Ca -0.26 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.57 1jsa h GLU 37 Cb 1.93 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 31.00 1jsa h GLU 37 CO 0.07 0.00 -0.74 0.00 -0.73 0.00 0.00 179.01 177.61 1jsa n PRO 39 N 3.62 0.12 -3.26 0.00 -0.02 -1.23 -4.14 135.00 130.09 1jsa n PRO 39 Ca 0.18 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.21 1jsa n PRO 39 Cb 0.47 -1.16 -0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa s SER 40 N -1.91 7.26 0.28 2.55 0.15 -1.26 -4.88 113.70 115.88 1jsa s SER 40 Ca 0.02 -3.44 -0.03 0.00 0.70 0.00 0.00 55.95 53.19 1jsa s SER 40 Cb 0.01 -2.25 0.58 0.00 -1.71 0.00 0.00 66.02 62.65 1jsa s SER 40 CO 0.01 -0.39 1.59 1.23 1.20 0.00 0.00 173.24 176.88 1jsa h GLY 41 N 7.33 1.00 -7.21 9.45 0.00 -1.96 -3.25 103.07 108.42 1jsa h GLY 41 Ca 0.20 0.18 -0.70 0.00 0.00 0.00 0.00 47.33 47.01 1jsa h GLY 41 CO 1.05 -0.41 0.02 0.50 0.00 0.00 0.00 176.54 177.70 1jsa s ARG 42 N -6.10 3.08 -0.04 4.80 0.52 -1.26 -4.60 118.95 115.36 1jsa s ARG 42 Ca -0.14 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 1jsa s ARG 42 Cb 0.26 -4.16 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 1jsa s ARG 42 CO 0.77 -1.30 1.45 0.42 0.02 0.00 0.00 175.30 176.66 1jsa s ILE 43 N 2.50 3.73 0.91 1.52 1.01 -1.14 -4.86 121.20 124.87 1jsa s ILE 43 Ca 0.12 1.04 -0.12 0.00 0.00 0.00 0.00 60.65 61.69 1jsa s ILE 43 Cb -0.22 -3.67 0.20 0.00 0.01 0.00 0.00 42.46 38.79 1jsa s ILE 43 CO 0.09 -0.04 1.24 0.41 0.00 0.00 0.00 174.94 176.65 1jsa n THR 44 N 4.97 0.00 0.18 2.92 -1.04 -1.26 -2.26 114.28 117.79 1jsa n THR 44 Ca 0.14 -1.13 0.06 0.00 -2.04 0.00 0.00 64.05 61.09 1jsa n THR 44 Cb 0.43 -1.35 0.21 0.00 -1.82 0.00 0.00 70.33 67.80 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 0.00 0.00 -2.82 2.43 -1.95 -2.76 114.38 109.28 1jsa h ARG 45 Ca -0.40 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 1jsa h ARG 45 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1jsa h ARG 45 CO 0.32 0.35 -0.54 0.37 -1.51 0.00 0.00 179.97 178.96 1jsa h GLN 46 N 0.00 0.00 0.00 0.20 4.15 -2.00 -3.31 115.11 114.15 1jsa h GLN 46 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 1jsa h GLN 46 Cb 1.10 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 1jsa h GLN 46 CO 0.05 0.12 -1.38 1.49 -1.93 0.00 0.00 178.83 177.17 1jsa h GLU 47 N 0.00 0.00 -1.10 1.69 4.81 -1.92 -3.34 114.58 114.72 1jsa h GLU 47 Ca -0.02 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.52 1jsa h GLU 47 Cb 1.13 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 1jsa h GLU 47 CO 0.02 0.51 0.76 0.35 -0.73 0.00 0.00 179.01 179.92 1jsa h PHE 48 N 0.00 0.31 0.00 0.92 3.04 -1.58 1.32 116.94 120.96 1jsa h PHE 48 Ca -0.17 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1jsa h PHE 48 Cb 1.78 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1jsa h PHE 48 CO 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 178.31 176.31 1jsa n GLN 49 N -4.40 0.01 0.02 1.11 -0.00 -1.25 -3.16 117.38 109.70 1jsa n GLN 49 Ca 0.25 0.02 -0.18 0.00 -0.00 0.00 0.00 57.00 57.10 1jsa n GLN 49 Cb 1.07 -1.51 -0.08 0.00 -0.00 0.00 0.00 30.24 29.72 1jsa n GLN 49 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1jsa h THR 50 N 0.00 1.29 0.07 -0.39 2.02 0.15 -2.91 112.91 113.16 1jsa h THR 50 Ca 0.00 -2.15 -0.10 0.00 0.77 0.00 0.00 66.41 64.93 1jsa h THR 50 Cb 0.49 2.20 0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1jsa h THR 50 CO 0.00 0.67 -0.43 0.40 0.37 0.00 0.00 175.52 176.53 1jsa h ILE 51 N 0.43 1.65 -0.37 3.11 2.04 -1.59 -3.28 117.51 119.50 1jsa h ILE 51 Ca -0.09 -2.45 0.11 0.00 1.00 0.00 0.00 64.86 63.43 1jsa h ILE 51 Cb 1.55 3.29 -0.01 0.00 -0.74 0.00 0.00 36.82 40.91 1jsa h ILE 51 CO 0.18 0.67 0.31 0.22 0.00 0.00 0.00 178.15 179.52 1jsa h TYR 52 N -0.67 0.00 -0.45 1.37 5.03 -1.67 -0.53 116.97 120.05 1jsa h TYR 52 Ca -0.07 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.11 1jsa h TYR 52 Cb 1.34 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 1jsa h TYR 52 CO 0.24 0.00 -0.20 0.66 -1.32 0.00 0.00 178.16 177.53 1jsa h SER 53 N 0.00 0.92 -0.18 -2.11 4.64 -1.57 -2.59 113.55 112.67 1jsa h SER 53 Ca 0.18 -0.34 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 1jsa h SER 53 Cb 0.79 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1jsa h SER 53 CO -0.00 1.10 0.39 0.50 -0.87 0.00 0.00 176.83 177.94 1jsa h LYS 54 N 0.79 0.00 0.00 4.77 3.64 -1.17 -3.42 116.57 121.18 1jsa h LYS 54 Ca 0.11 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.07 1jsa h LYS 54 Cb 0.75 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1jsa h LYS 54 CO 0.06 0.00 -0.15 1.19 -2.27 0.00 0.00 179.45 178.28 1jsa n PHE 55 N -3.24 -1.47 -3.80 1.91 3.72 -0.98 -4.73 117.46 108.88 1jsa n PHE 55 Ca 0.02 -1.74 -0.34 0.00 -0.05 0.00 0.00 57.45 55.34 1jsa n PHE 55 Cb 0.49 -0.38 0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.70 -1.77 0.39 1.38 3.72 -1.26 -4.76 117.46 113.46 1jsa n PHE 56 Ca 0.04 0.42 0.04 0.00 -0.05 0.00 0.00 57.45 57.90 1jsa n PHE 56 Cb 0.48 -3.36 0.20 0.00 -0.94 0.00 0.00 39.48 35.86 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1jsa n PRO 57 N -4.38 0.16 0.02 -1.08 -0.04 -1.26 -2.43 135.00 125.99 1jsa n PRO 57 Ca -0.13 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 1jsa n PRO 57 Cb 0.60 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.42 1jsa n PRO 57 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1jsa h GLU 58 N 0.00 0.26 0.00 0.54 4.81 -1.96 -3.49 114.58 114.74 1jsa h GLU 58 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1jsa h GLU 58 Cb 0.03 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1jsa h GLU 58 CO 0.00 1.21 0.00 0.00 -0.73 0.00 0.00 179.01 179.49 1jsa n ALA 59 N -2.86 0.00 -3.26 2.92 0.00 -1.02 -4.72 120.51 111.58 1jsa n ALA 59 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 1jsa n ALA 59 Cb 0.87 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.24 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jsa n ASP 60 N 0.00 0.56 -0.87 0.00 5.68 -1.23 -4.93 116.55 115.77 1jsa n ASP 60 Ca 0.00 -2.75 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 1jsa n ASP 60 Cb 0.00 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1jsa n PRO 61 N 1.55 0.28 0.18 0.11 -0.05 -1.26 -4.13 135.00 131.68 1jsa n PRO 61 Ca 0.23 0.00 -0.16 0.00 -0.05 0.00 0.00 63.50 63.52 1jsa n PRO 61 Cb 0.51 -1.30 -0.08 0.00 -0.05 0.00 0.00 33.50 32.57 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 1jsa h LYS 62 N 1.25 -0.74 -0.54 0.54 1.57 -1.92 0.25 116.57 116.98 1jsa h LYS 62 Ca 0.00 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1jsa h LYS 62 Cb 0.24 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1jsa h LYS 62 CO 0.00 -0.50 0.39 0.00 -0.57 0.00 0.00 179.45 178.77 1jsa h ALA 63 N -0.40 2.47 -0.00 3.86 0.00 -1.89 -2.11 119.26 121.19 1jsa h ALA 63 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jsa h ALA 63 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jsa h ALA 63 CO -0.16 -0.62 -0.03 -0.92 0.00 0.00 0.00 179.25 177.51 1jsa h TYR 64 N 0.03 0.03 0.00 0.00 5.03 -1.39 -3.13 116.97 117.54 1jsa h TYR 64 Ca 0.26 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.55 1jsa h TYR 64 Cb 0.99 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1jsa h TYR 64 CO -0.00 0.80 0.43 0.00 -1.32 0.00 0.00 178.16 178.07 1jsa h ALA 65 N 0.23 1.41 0.00 1.82 0.00 0.12 0.88 119.26 123.72 1jsa h ALA 65 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1jsa h ALA 65 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jsa h ALA 65 CO 0.01 -0.41 -0.76 1.96 0.00 0.00 0.00 179.25 180.05 1jsa h GLN 66 N 0.00 0.00 0.00 0.00 4.20 -1.46 -3.19 115.11 114.66 1jsa h GLN 66 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1jsa h GLN 66 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1jsa h GLN 66 CO 0.00 0.76 -0.40 0.45 -0.67 0.00 0.00 178.83 178.97 1jsa h HIS 67 N 0.00 0.00 0.00 2.96 3.86 0.74 -2.68 115.15 120.03 1jsa h HIS 67 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1jsa h HIS 67 Cb 1.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1jsa h HIS 67 CO 0.00 0.40 0.00 0.28 0.86 0.00 0.00 177.93 179.47 1jsa n VAL 68 N -3.54 1.45 0.00 2.45 0.31 -1.16 -3.39 118.33 114.45 1jsa n VAL 68 Ca -0.00 0.36 -0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1jsa n VAL 68 Cb 0.53 -1.24 -0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 -1.06 3.52 3.57 -1.64 -3.21 116.94 118.12 1jsa h PHE 69 Ca 0.00 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 1jsa h PHE 69 Cb 0.12 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1jsa h PHE 69 CO 0.00 -0.00 0.99 -0.09 -2.23 0.00 0.00 178.31 176.97 1jsa h ARG 70 N -0.01 0.00 -0.65 1.11 9.65 -1.75 0.95 114.38 123.69 1jsa h ARG 70 Ca -0.00 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 1jsa h ARG 70 Cb 0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1jsa h ARG 70 CO 0.00 0.00 0.48 0.77 2.80 0.00 0.00 179.97 184.02 1jsa h SER 71 N 0.00 0.00 0.00 -3.80 0.02 -1.59 -3.34 113.55 104.84 1jsa h SER 71 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1jsa h SER 71 Cb 2.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.01 1jsa h SER 71 CO -0.01 0.00 0.00 0.33 -1.14 0.00 0.00 176.83 176.01 1jsa n PHE 72 N -4.29 0.00 -0.04 3.45 -0.00 0.28 -4.74 117.46 112.12 1jsa n PHE 72 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1jsa n PHE 72 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.21 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jsa n ASP 73 N -0.65 4.10 -1.31 -2.13 2.03 0.17 -3.75 116.55 115.00 1jsa n ASP 73 Ca 0.00 -2.10 0.08 0.00 0.52 0.00 0.00 54.79 53.29 1jsa n ASP 73 Cb 0.00 -0.83 0.31 0.00 -0.72 0.00 0.00 41.12 39.88 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 1.25 3.20 -1.49 -1.67 0.00 -1.25 -4.59 120.51 115.96 1jsa n ALA 74 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 53.44 51.18 1jsa n ALA 74 Cb 0.44 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.06 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 0.26 7.21 -4.19 0.00 6.94 -1.25 -4.83 115.26 119.41 1jsa n ASN 75 Ca 0.23 -3.58 -0.32 0.00 -0.02 0.00 0.00 54.58 50.90 1jsa n ASN 75 Cb 0.94 -1.07 -0.05 0.00 -2.36 0.00 0.00 39.78 37.24 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1jsa n SER 76 N -0.23 -1.07 -0.04 0.53 7.64 -1.26 -4.85 113.62 114.34 1jsa n SER 76 Ca 0.52 -1.10 -0.04 0.00 1.01 0.00 0.00 58.87 59.26 1jsa n SER 76 Cb 0.48 -2.45 -0.01 0.00 -1.01 0.00 0.00 64.21 61.22 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jsa n ASP 77 N -2.80 0.99 0.00 6.43 2.03 -1.26 -5.02 116.55 116.91 1jsa n ASP 77 Ca -0.15 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1jsa n ASP 77 Cb 0.60 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jsa n GLY 78 N 1.77 0.66 3.29 0.27 0.00 -1.26 -5.06 105.19 104.86 1jsa n GLY 78 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.00 0.06 -0.26 2.61 -4.23 -1.26 -4.76 115.64 105.80 1jsa s THR 79 Ca 0.00 -0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1jsa s THR 79 Cb 0.00 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 1jsa s THR 79 CO 0.00 -0.29 0.22 -0.76 -0.54 0.00 0.00 174.62 173.25 1jsa s LEU 80 N -1.88 4.06 0.45 4.79 1.43 -0.96 -4.93 118.68 121.65 1jsa s LEU 80 Ca -0.07 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1jsa s LEU 80 Cb -0.02 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1jsa s LEU 80 CO -0.01 -0.03 0.72 -1.81 0.23 0.00 0.00 176.35 175.45 1jsa s ASP 81 N 1.47 6.19 0.01 2.29 1.01 -1.26 -2.90 116.67 123.47 1jsa s ASP 81 Ca 0.09 0.74 -0.01 0.00 0.71 0.00 0.00 52.55 54.08 1jsa s ASP 81 Cb -0.15 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.68 1jsa s ASP 81 CO 0.09 -0.55 1.02 0.15 0.21 0.00 0.00 175.17 176.09 1jsa h PHE 82 N 0.34 -0.08 -0.98 4.23 3.04 -1.94 0.65 116.94 122.21 1jsa h PHE 82 Ca -0.47 0.00 0.26 0.00 3.98 0.00 0.00 57.97 61.74 1jsa h PHE 82 Cb 1.22 0.04 -0.18 0.00 2.56 0.00 0.00 35.95 39.58 1jsa h PHE 82 CO 0.55 -0.02 -0.01 -0.22 -2.02 0.00 0.00 178.31 176.59 1jsa h LYS 83 N -0.01 0.01 -0.36 1.11 3.64 -1.94 1.70 116.57 120.72 1jsa h LYS 83 Ca 0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1jsa h LYS 83 Cb 0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1jsa h LYS 83 CO -0.03 0.01 -0.09 0.93 -2.27 0.00 0.00 179.45 177.99 1jsa h GLU 84 N 0.01 0.61 0.42 1.90 5.08 -1.37 -3.15 114.58 118.08 1jsa h GLU 84 Ca 0.58 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1jsa h GLU 84 Cb 1.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jsa h GLU 84 CO -0.93 0.70 -0.20 -0.92 -1.00 0.00 0.00 179.01 176.66 1jsa h TYR 85 N 0.56 -0.52 -0.07 4.33 3.20 0.82 -2.74 116.97 122.57 1jsa h TYR 85 Ca 0.10 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1jsa h TYR 85 Cb 0.50 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1jsa h TYR 85 CO 0.02 -0.22 -0.05 0.28 -1.64 0.00 0.00 178.16 176.56 1jsa h VAL 86 N -0.78 0.00 -0.91 1.81 2.07 -0.92 1.78 116.25 119.29 1jsa h VAL 86 Ca -0.06 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 1jsa h VAL 86 Cb 0.53 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.16 1jsa h VAL 86 CO 0.09 0.00 0.28 0.40 0.02 0.00 0.00 177.57 178.36 1jsa h ILE 87 N -0.01 0.27 0.55 4.57 2.04 -1.64 2.39 117.51 125.69 1jsa h ILE 87 Ca 0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1jsa h ILE 87 Cb 0.04 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1jsa h ILE 87 CO -0.07 0.04 -0.26 0.00 0.00 0.00 0.00 178.15 177.86 1jsa h ALA 88 N 1.82 -0.74 -0.16 1.87 0.00 -0.30 -0.52 119.26 121.23 1jsa h ALA 88 Ca 0.60 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.39 1jsa h ALA 88 Cb 1.26 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1jsa h ALA 88 CO -0.68 -0.69 0.14 1.25 0.00 0.00 0.00 179.25 179.27 1jsa h LEU 89 N -1.18 0.00 0.11 0.00 7.12 0.36 -2.07 115.31 119.64 1jsa h LEU 89 Ca -0.08 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 1jsa h LEU 89 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1jsa h LEU 89 CO 0.12 0.00 -0.05 -0.74 -0.13 0.00 0.00 178.44 177.64 1jsa h HIS 90 N 0.00 -0.13 0.00 1.25 2.76 0.41 -3.07 115.15 116.37 1jsa h HIS 90 Ca 0.08 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1jsa h HIS 90 Cb 0.37 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1jsa h HIS 90 CO 0.00 0.37 0.00 0.52 -1.30 0.00 0.00 177.93 177.52 1jsa h MET 91 N -0.77 0.00 -0.98 5.26 2.86 -0.57 -0.52 114.93 120.21 1jsa h MET 91 Ca -0.01 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.91 1jsa h MET 91 Cb 0.56 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1jsa h MET 91 CO 0.02 0.00 1.19 1.15 1.06 0.00 0.00 176.91 180.33 1jsa h THR 92 N 0.00 0.01 0.00 2.22 2.02 -1.29 -3.25 112.91 112.62 1jsa h THR 92 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jsa h THR 92 Cb 0.02 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1jsa h THR 92 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 1jsa n SER 93 N -3.23 0.00 -4.63 4.18 3.41 -1.08 -4.99 113.62 107.28 1jsa n SER 93 Ca 0.22 -0.24 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 1jsa n SER 93 Cb 1.48 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 65.38 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa s ALA 94 N 0.00 3.62 0.00 7.33 0.00 -0.22 -4.50 121.76 127.98 1jsa s ALA 94 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1jsa s ALA 94 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1jsa s ALA 94 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1jsa n GLY 95 N 3.99 0.45 0.38 0.00 0.00 -1.26 -4.45 105.19 104.29 1jsa n GLY 95 Ca 0.03 -0.56 0.19 0.00 0.00 0.00 0.00 46.02 45.68 1jsa n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa h LYS 96 N 0.00 0.00 0.00 1.61 1.79 -1.97 -3.40 116.57 114.60 1jsa h LYS 96 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jsa h LYS 96 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1jsa h LYS 96 CO 0.00 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.62 1jsa n THR 97 N -3.56 0.00 -3.88 -0.16 -2.24 -1.26 -4.91 114.28 98.26 1jsa n THR 97 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 1jsa n THR 97 Cb 0.57 -0.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1jsa n THR 97 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jsa n ASN 98 N -0.18 -2.69 -2.06 3.42 3.02 -1.26 0.26 115.26 115.77 1jsa n ASN 98 Ca 0.00 -0.82 -0.06 0.00 -0.03 0.00 0.00 54.58 53.67 1jsa n ASN 98 Cb 0.00 -1.02 -0.01 0.00 -0.61 0.00 0.00 39.78 38.14 1jsa n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsa n GLN 99 N -3.39 -2.16 0.00 3.52 3.00 -1.26 -4.68 117.38 112.41 1jsa n GLN 99 Ca -0.09 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1jsa n GLN 99 Cb 0.37 -4.70 0.66 0.00 0.00 0.00 0.00 30.24 26.57 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 -2.24 0.48 0.00 -1.09 4.81 0.74 -4.06 118.16 116.80 1jsa n LYS 100 Ca -0.06 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1jsa n LYS 100 Cb 0.44 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1jsa n LEU 101 N -1.21 0.00 -0.47 3.14 -0.00 -1.26 -2.46 117.00 114.74 1jsa n LEU 101 Ca 0.14 0.77 0.39 0.00 -0.00 0.00 0.00 56.01 57.31 1jsa n LEU 101 Cb 0.17 -0.27 0.67 0.00 -0.00 0.00 0.00 43.42 43.99 1jsa n LEU 101 CO 0.18 -0.27 1.27 1.05 -0.00 0.00 0.00 177.39 179.61 1jsa h GLU 102 N 0.00 0.07 0.00 1.96 -0.00 -1.96 2.22 114.58 116.87 1jsa h GLU 102 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1jsa h GLU 102 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 28.73 1jsa h GLU 102 CO 0.00 0.05 -0.05 2.35 -0.00 0.00 0.00 179.01 181.36 1jsa h TRP 103 N 0.08 0.00 -0.31 2.06 7.01 -1.69 -2.64 115.95 120.45 1jsa h TRP 103 Ca 0.82 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.75 1jsa h TRP 103 Cb 2.69 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 29.74 1jsa h TRP 103 CO -0.00 0.05 -0.10 0.00 -2.79 0.00 0.00 178.44 175.59 1jsa h ALA 104 N 1.95 0.44 0.00 2.65 0.00 0.40 -2.57 119.26 122.13 1jsa h ALA 104 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jsa h ALA 104 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jsa h ALA 104 CO 0.01 0.29 0.51 0.35 0.00 0.00 0.00 179.25 180.41 1jsa h PHE 105 N 0.39 0.00 0.04 0.00 3.57 -1.53 0.34 116.94 119.75 1jsa h PHE 105 Ca 0.08 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1jsa h PHE 105 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1jsa h PHE 105 CO 0.05 0.00 -0.36 0.66 -2.23 0.00 0.00 178.31 176.44 1jsa h SER 106 N 0.00 0.13 0.15 0.41 4.64 -1.61 -2.94 113.55 114.33 1jsa h SER 106 Ca 0.00 -0.94 -0.01 0.00 -0.47 0.00 0.00 61.79 60.37 1jsa h SER 106 Cb 1.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1jsa h SER 106 CO 0.00 1.16 -0.07 0.25 -0.87 0.00 0.00 176.83 177.30 1jsa h LEU 107 N -0.82 -0.18 -2.10 5.97 7.12 -0.45 -1.76 115.31 123.09 1jsa h LEU 107 Ca -0.08 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1jsa h LEU 107 Cb 1.21 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1jsa h LEU 107 CO 0.02 -0.08 0.00 1.88 -0.13 0.00 0.00 178.44 180.13 1jsa h TYR 108 N -0.26 0.00 -0.79 1.25 0.05 -1.59 -3.23 116.97 112.40 1jsa h TYR 108 Ca -0.02 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.04 1jsa h TYR 108 Cb 0.20 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.86 1jsa h TYR 108 CO -0.05 0.00 2.78 -3.47 -1.05 0.00 0.00 178.16 176.37 1jsa n ASP 109 N -2.82 7.17 0.08 3.88 2.03 -0.66 -4.69 116.55 121.54 1jsa n ASP 109 Ca -0.01 -2.96 0.18 0.00 0.52 0.00 0.00 54.79 52.52 1jsa n ASP 109 Cb 0.13 -1.47 0.71 0.00 -0.72 0.00 0.00 41.12 39.77 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 3.09 0.70 0.00 5.18 2.07 -1.75 -3.35 116.25 122.19 1jsa h VAL 110 Ca 0.67 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.19 1jsa h VAL 110 Cb 0.40 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jsa h VAL 110 CO 1.63 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 178.32 1jsa n ASP 111 N -4.25 0.00 0.00 0.57 5.68 -1.26 -4.94 116.55 112.34 1jsa n ASP 111 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1jsa n ASP 111 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jsa n GLY 112 N 2.73 0.06 1.09 6.12 0.00 -1.26 -5.08 105.19 108.86 1jsa n GLY 112 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N 0.00 0.27 -1.23 1.61 6.94 -1.26 -4.97 115.26 116.62 1jsa n ASN 113 Ca 0.00 -1.91 -0.12 0.00 -0.02 0.00 0.00 54.58 52.54 1jsa n ASN 113 Cb 0.00 -0.12 -0.05 0.00 -2.36 0.00 0.00 39.78 37.25 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 0.24 1.11 3.27 4.83 0.00 -1.26 -4.88 105.19 108.49 1jsa n GLY 114 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -1.94 -0.02 -0.23 2.61 -4.23 -1.26 -4.18 115.64 106.40 1jsa s THR 115 Ca 0.00 0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1jsa s THR 115 Cb 0.00 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.21 1jsa s THR 115 CO 0.00 0.03 0.10 -0.63 -0.54 0.00 0.00 174.62 173.58 1jsa s ILE 116 N 1.08 4.84 0.42 2.99 1.01 -0.18 -4.89 121.20 126.46 1jsa s ILE 116 Ca -0.07 -0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1jsa s ILE 116 Cb -0.07 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 1jsa s ILE 116 CO -0.09 0.37 0.40 -0.44 0.00 0.00 0.00 174.94 175.18 1jsa s SER 117 N 1.07 5.14 0.37 3.58 0.01 -1.26 -2.32 113.70 120.29 1jsa s SER 117 Ca 0.05 -0.69 0.11 0.00 1.31 0.00 0.00 55.95 56.73 1jsa s SER 117 Cb -0.14 -0.59 0.90 0.00 0.21 0.00 0.00 66.02 66.40 1jsa s SER 117 CO 0.04 -0.66 1.85 0.11 0.41 0.00 0.00 173.24 174.98 1jsa h LYS 118 N 0.98 0.59 0.70 12.44 1.57 -1.99 -2.03 116.57 128.82 1jsa h LYS 118 Ca -0.41 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1jsa h LYS 118 Cb 1.27 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.45 1jsa h LYS 118 CO 0.56 0.39 -0.34 -0.97 -0.57 0.00 0.00 179.45 178.52 1jsa h ASN 119 N 0.61 -0.80 -0.42 0.86 -0.73 -1.98 -1.50 115.58 111.62 1jsa h ASN 119 Ca 0.48 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.71 1jsa h ASN 119 Cb 0.91 0.21 -0.08 0.00 0.27 0.00 0.00 38.32 39.63 1jsa h ASN 119 CO -0.23 -0.53 -0.55 -0.33 -0.37 0.00 0.00 177.43 175.42 1jsa h GLU 120 N -1.00 -0.37 -0.85 6.67 5.08 -1.74 0.88 114.58 123.25 1jsa h GLU 120 Ca -0.10 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.53 1jsa h GLU 120 Cb 0.74 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1jsa h GLU 120 CO 0.16 -0.25 0.62 0.28 -1.00 0.00 0.00 179.01 178.82 1jsa h VAL 121 N -0.38 0.55 0.30 3.13 2.07 -1.44 -0.37 116.25 120.11 1jsa h VAL 121 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1jsa h VAL 121 Cb 0.58 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1jsa h VAL 121 CO -0.60 0.00 -0.14 0.25 0.02 0.00 0.00 177.57 177.10 1jsa h LEU 122 N 0.00 -0.34 -0.69 2.57 6.46 0.19 -1.67 115.31 121.83 1jsa h LEU 122 Ca 0.40 -0.08 0.14 0.00 -0.12 0.00 0.00 57.88 58.23 1jsa h LEU 122 Cb 1.64 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.56 1jsa h LEU 122 CO -0.00 -0.13 0.16 -0.33 -0.62 0.00 0.00 178.44 177.51 1jsa h GLU 123 N -0.53 0.27 0.05 1.25 4.39 -0.28 0.20 114.58 119.92 1jsa h GLU 123 Ca -0.04 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1jsa h GLU 123 Cb 0.39 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1jsa h GLU 123 CO 0.07 0.18 -0.16 0.82 -1.16 0.00 0.00 179.01 178.75 1jsa h ILE 124 N 0.28 0.62 -0.40 3.13 1.08 -1.26 0.48 117.51 121.43 1jsa h ILE 124 Ca 0.38 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.90 1jsa h ILE 124 Cb 0.60 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1jsa h ILE 124 CO -0.46 0.00 0.13 0.58 -0.69 0.00 0.00 178.15 177.71 1jsa h VAL 125 N -0.29 0.87 -0.08 1.67 2.07 -0.19 0.11 116.25 120.40 1jsa h VAL 125 Ca 0.04 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1jsa h VAL 125 Cb 0.33 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1jsa h VAL 125 CO -0.12 0.05 -0.21 0.74 0.02 0.00 0.00 177.57 178.06 1jsa h THR 126 N 0.29 0.50 -0.57 2.57 2.02 -0.14 0.17 112.91 117.75 1jsa h THR 126 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1jsa h THR 126 Cb 0.18 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1jsa h THR 126 CO -0.20 0.00 0.29 0.00 0.37 0.00 0.00 175.52 175.98 1jsa h ALA 127 N 0.67 0.74 -1.00 6.16 0.00 -0.34 -0.70 119.26 124.79 1jsa h ALA 127 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1jsa h ALA 127 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1jsa h ALA 127 CO -0.25 -0.06 0.65 0.82 0.00 0.00 0.00 179.25 180.41 1jsa h ILE 128 N 0.55 1.12 -0.69 0.00 2.04 0.18 -1.29 117.51 119.42 1jsa h ILE 128 Ca 0.25 -0.42 0.12 0.00 1.00 0.00 0.00 64.86 65.82 1jsa h ILE 128 Cb 0.17 -0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 35.97 1jsa h ILE 128 CO -0.18 0.22 0.26 0.15 0.00 0.00 0.00 178.15 178.60 1jsa h PHE 129 N 1.21 0.44 -0.79 1.37 3.04 0.87 1.00 116.94 124.09 1jsa h PHE 129 Ca 0.42 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.45 1jsa h PHE 129 Cb 0.10 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 1jsa h PHE 129 CO -0.00 0.08 0.49 0.87 -2.02 0.00 0.00 178.31 177.72 1jsa h LYS 130 N 0.42 0.89 0.00 1.11 6.56 -0.95 0.10 116.57 124.71 1jsa h LYS 130 Ca 0.36 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.89 1jsa h LYS 130 Cb 0.51 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.96 1jsa h LYS 130 CO -0.36 0.59 -0.03 1.98 -2.06 0.00 0.00 179.45 179.57 1jsa h MET 131 N 0.92 0.00 -5.95 3.15 4.05 -0.57 -3.25 114.93 113.29 1jsa h MET 131 Ca 0.33 0.00 -0.61 0.00 -0.28 0.00 0.00 59.70 59.14 1jsa h MET 131 Cb 0.09 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.78 1jsa h MET 131 CO -0.14 0.03 0.55 0.42 0.23 0.00 0.00 176.91 177.99 1jsa s ILE 132 N -4.10 4.44 0.69 1.77 1.01 0.36 -4.46 121.20 120.91 1jsa s ILE 132 Ca -0.03 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 1jsa s ILE 132 Cb 0.12 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1jsa s ILE 132 CO 0.49 -0.98 1.16 -0.94 0.00 0.00 0.00 174.94 174.67 1jsa s SER 133 N 2.57 4.70 0.56 3.58 1.04 -1.26 -4.70 113.70 120.19 1jsa s SER 133 Ca 0.33 2.17 0.31 0.00 0.48 0.00 0.00 55.95 59.24 1jsa s SER 133 Cb -0.12 -2.57 1.46 0.00 0.10 0.00 0.00 66.02 64.89 1jsa s SER 133 CO 0.22 -1.91 1.85 -0.65 0.98 0.00 0.00 173.24 173.73 1jsa h PRO 134 N -0.08 0.00 -0.97 4.02 0.11 -1.94 0.39 132.00 133.53 1jsa h PRO 134 Ca -0.47 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1jsa h PRO 134 Cb 1.27 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1jsa h PRO 134 CO 0.52 0.00 0.59 0.93 -0.21 0.00 0.00 178.00 179.83 1jsa h GLU 135 N 0.00 0.82 0.02 1.05 5.08 -1.97 -2.51 114.58 117.06 1jsa h GLU 135 Ca 0.36 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 58.34 1jsa h GLU 135 Cb 1.62 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1jsa h GLU 135 CO -0.00 0.54 -1.98 -0.25 -1.00 0.00 0.00 179.01 176.31 1jsa n ASP 136 N -4.72 0.93 0.00 1.42 9.92 0.07 -4.02 116.55 120.15 1jsa n ASP 136 Ca 0.20 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1jsa n ASP 136 Cb 0.45 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 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 -3.06 0.82 0.73 -3.53 -1.04 -0.85 0.16 114.28 107.53 1jsa n THR 137 Ca -0.25 0.46 0.06 0.00 -2.04 0.00 0.00 64.05 62.27 1jsa n THR 137 Cb 1.07 -1.46 0.17 0.00 -1.82 0.00 0.00 70.33 68.30 1jsa n THR 137 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jsa n LYS 138 N -1.18 1.96 -0.08 -2.82 5.02 -1.19 -4.28 118.16 115.59 1jsa n LYS 138 Ca 0.00 -1.39 -0.13 0.00 -2.02 0.00 0.00 58.31 54.77 1jsa n LYS 138 Cb 0.25 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jsa n HIS 139 N 0.60 0.00 -1.31 2.13 8.25 0.43 -5.00 115.22 120.32 1jsa n HIS 139 Ca 0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 1jsa n HIS 139 Cb 0.35 -0.55 0.02 0.00 1.12 0.00 0.00 29.99 30.94 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 -4.23 -1.96 -4.37 2.41 7.99 -1.26 -4.88 117.00 110.70 1jsa n LEU 140 Ca -0.22 0.66 -0.29 0.00 -0.01 0.00 0.00 56.01 56.14 1jsa n LEU 140 Cb 0.56 -0.98 0.24 0.00 -0.11 0.00 0.00 43.42 43.12 1jsa n LEU 140 CO 0.13 -4.15 0.11 -0.81 -1.51 0.00 0.00 177.39 171.17 1jsa n PRO 141 N 0.87 -2.44 -2.55 3.23 -0.04 -1.26 -4.84 135.00 127.97 1jsa n PRO 141 Ca 0.09 -0.69 -0.24 0.00 -0.04 0.00 0.00 63.50 62.62 1jsa n PRO 141 Cb 0.48 -1.97 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1jsa n PRO 141 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jsa s GLU 142 N -4.07 2.68 0.00 0.54 8.01 -1.26 -2.92 118.70 121.67 1jsa s GLU 142 Ca 0.64 -0.40 0.00 0.00 0.01 0.00 0.00 54.97 55.22 1jsa s GLU 142 Cb -0.20 -2.38 0.00 0.00 -4.31 0.00 0.00 34.13 27.24 1jsa s GLU 142 CO 0.65 -0.73 0.00 -3.47 0.01 0.00 0.00 175.26 171.72 1jsa n ASP 143 N -2.48 -0.56 0.00 -0.19 2.03 -1.26 -4.36 116.55 109.73 1jsa n ASP 143 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1jsa n ASP 143 Cb 0.59 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jsa n GLU 144 N -0.99 0.40 -1.20 -0.67 1.02 -1.25 -4.87 120.64 113.08 1jsa n GLU 144 Ca 0.00 -0.55 -0.18 0.00 -0.02 0.00 0.00 57.16 56.41 1jsa n GLU 144 Cb 0.05 -0.60 -0.12 0.00 -0.02 0.00 0.00 31.44 30.74 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jsa n ASN 145 N -0.08 5.74 -4.15 1.62 6.94 -1.15 -4.00 115.26 120.19 1jsa n ASN 145 Ca 0.00 -2.78 -0.10 0.00 -0.02 0.00 0.00 54.58 51.69 1jsa n ASN 145 Cb 0.38 -1.34 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 1jsa n ASN 145 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jsa s THR 146 N -0.33 0.15 0.03 5.53 -4.23 -1.26 -5.03 115.64 110.49 1jsa s THR 146 Ca 0.63 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 59.07 1jsa s THR 146 Cb 0.34 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 1jsa s THR 146 CO -0.09 -0.52 1.26 -0.65 -0.54 0.00 0.00 174.62 174.07 1jsa h PRO 147 N 2.89 -0.55 -0.17 3.99 0.10 -1.91 0.19 132.00 136.54 1jsa h PRO 147 Ca -0.35 0.04 0.05 0.00 0.10 0.00 0.00 66.00 65.84 1jsa h PRO 147 Cb 1.19 0.13 -0.01 0.00 0.10 0.00 0.00 31.00 32.41 1jsa h PRO 147 CO 0.60 -0.37 0.26 0.93 0.10 0.00 0.00 178.00 179.52 1jsa h GLU 148 N -0.57 0.00 0.09 1.05 5.08 -1.97 0.37 114.58 118.63 1jsa h GLU 148 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jsa h GLU 148 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jsa h GLU 148 CO 0.06 0.00 -0.04 0.87 -1.00 0.00 0.00 179.01 178.90 1jsa h LYS 149 N 0.00 -0.12 -0.20 2.33 6.56 -1.72 -3.30 116.57 120.13 1jsa h LYS 149 Ca 0.08 0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.53 1jsa h LYS 149 Cb 0.59 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1jsa h LYS 149 CO -0.00 0.39 -0.48 0.00 -2.06 0.00 0.00 179.45 177.30 1jsa h ARG 150 N -0.91 0.52 -1.08 3.15 3.08 0.01 -2.94 114.38 116.21 1jsa h ARG 150 Ca -0.01 -0.29 0.32 0.00 0.07 0.00 0.00 59.98 60.07 1jsa h ARG 150 Cb 0.56 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.50 1jsa h ARG 150 CO 0.02 0.88 0.66 0.00 -1.07 0.00 0.00 179.97 180.46 1jsa h ALA 151 N 1.07 2.18 0.00 0.04 0.00 -0.41 2.14 119.26 124.28 1jsa h ALA 151 Ca 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jsa h ALA 151 Cb 0.99 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jsa h ALA 151 CO 0.09 -0.72 -0.20 1.49 0.00 0.00 0.00 179.25 179.90 1jsa h GLU 152 N 0.32 0.00 0.43 0.00 4.81 -1.59 -1.91 114.58 116.64 1jsa h GLU 152 Ca 0.70 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.91 1jsa h GLU 152 Cb 1.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.15 1jsa h GLU 152 CO -0.46 0.20 -0.21 0.87 -0.73 0.00 0.00 179.01 178.68 1jsa h LYS 153 N 0.00 -0.55 0.00 1.92 1.79 0.34 0.60 116.57 120.67 1jsa h LYS 153 Ca -0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1jsa h LYS 153 Cb 0.37 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1jsa h LYS 153 CO 0.03 -0.37 0.00 -0.89 -1.08 0.00 0.00 179.45 177.14 1jsa n ILE 154 N -4.23 0.00 0.10 1.86 5.41 -1.02 -0.42 119.36 121.06 1jsa n ILE 154 Ca -0.07 1.38 0.17 0.00 1.00 0.00 0.00 62.75 65.23 1jsa n ILE 154 Cb 0.23 -2.20 0.49 0.00 -0.71 0.00 0.00 39.64 37.45 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 0.00 -0.03 1.39 2.91 -1.50 2.04 115.95 120.76 1jsa h TRP 155 Ca 0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 1jsa h TRP 155 Cb 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1jsa h TRP 155 CO -0.15 0.00 -0.36 0.78 -1.03 0.00 0.00 178.44 177.68 1jsa h GLY 156 N 0.00 0.06 0.44 2.65 0.00 0.17 -2.77 103.07 103.62 1jsa h GLY 156 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1jsa h GLY 156 CO -0.00 0.05 -0.29 0.74 0.00 0.00 0.00 176.54 177.04 1jsa h PHE 157 N 0.05 -0.77 -0.47 5.60 0.04 0.41 -2.95 116.94 118.85 1jsa h PHE 157 Ca 0.00 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1jsa h PHE 157 Cb 0.66 0.28 -0.09 0.00 2.20 0.00 0.00 35.95 39.00 1jsa h PHE 157 CO 0.00 -0.42 -0.08 0.74 -0.60 0.00 0.00 178.31 177.95 1jsa h PHE 158 N -0.68 -0.19 -5.08 -0.55 -1.00 -1.67 -3.47 116.94 104.29 1jsa h PHE 158 Ca -0.06 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1jsa h PHE 158 Cb 0.55 0.16 -0.12 0.00 3.61 0.00 0.00 35.95 40.14 1jsa h PHE 158 CO -0.04 -0.18 -1.50 0.41 -1.61 0.00 0.00 178.31 175.40 1jsa n GLY 159 N -1.33 -4.95 1.18 -1.45 0.00 -1.05 -5.06 105.19 92.53 1jsa n GLY 159 Ca 0.04 1.68 -0.10 0.00 0.00 0.00 0.00 46.02 47.64 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 1.73 1.58 -3.64 1.61 5.02 -1.26 -5.13 118.16 118.06 1jsa n LYS 160 Ca -0.39 -1.19 -0.04 0.00 -2.02 0.00 0.00 58.31 54.68 1jsa n LYS 160 Cb 0.60 0.31 -0.07 0.00 -0.02 0.00 0.00 35.03 35.85 1jsa n LYS 160 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jsa s LYS 161 N -2.60 0.34 0.00 1.97 2.47 -1.26 -4.88 119.74 115.78 1jsa s LYS 161 Ca 0.01 0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 1jsa s LYS 161 Cb -0.00 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1jsa s LYS 161 CO 0.00 -0.06 0.00 -0.40 0.16 0.00 0.00 175.35 175.06 1jsa n ASP 162 N 2.99 0.00 -2.93 1.43 5.68 -1.26 -4.47 116.55 117.99 1jsa n ASP 162 Ca -0.16 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 53.96 1jsa n ASP 162 Cb 0.57 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1jsa n ASP 163 N 0.77 1.86 -2.72 -1.12 2.03 -1.26 -4.97 116.55 111.13 1jsa n ASP 163 Ca 0.00 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.12 1jsa n ASP 163 Cb 0.00 -0.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.79 1jsa n ASP 163 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1jsa n ASP 164 N 0.03 3.16 -3.76 1.67 5.75 -1.26 -4.69 116.55 117.46 1jsa n ASP 164 Ca 0.22 -2.10 -0.28 0.00 -0.01 0.00 0.00 54.79 52.62 1jsa n ASP 164 Cb 0.67 -0.81 -0.16 0.00 -1.03 0.00 0.00 41.12 39.79 1jsa n ASP 164 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jsa s LYS 165 N 2.95 0.75 0.05 0.11 3.01 -1.26 -4.56 119.74 120.79 1jsa s LYS 165 Ca 0.31 -0.48 -0.30 0.00 -1.01 0.00 0.00 55.97 54.48 1jsa s LYS 165 Cb 0.11 -2.17 -0.04 0.00 -1.01 0.00 0.00 37.83 34.72 1jsa s LYS 165 CO -0.01 -0.64 1.03 -1.17 0.51 0.00 0.00 175.35 175.07 1jsa s LEU 166 N 1.81 4.41 0.26 3.17 2.96 -0.98 -4.77 118.68 125.54 1jsa s LEU 166 Ca -0.01 1.79 0.06 0.00 -0.22 0.00 0.00 54.13 55.75 1jsa s LEU 166 Cb -0.17 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1jsa s LEU 166 CO -0.08 -0.26 0.34 0.42 -1.32 0.00 0.00 176.35 175.45 1jsa s THR 167 N 0.71 4.79 0.02 3.68 -4.23 -1.26 -1.02 115.64 118.34 1jsa s THR 167 Ca 0.52 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 1jsa s THR 167 Cb -0.24 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 1jsa s THR 167 CO 0.29 -0.30 1.12 -0.08 -0.54 0.00 0.00 174.62 175.12 1jsa h GLU 168 N 1.20 -0.16 -0.82 3.99 4.81 -1.97 2.72 114.58 124.36 1jsa h GLU 168 Ca -0.50 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 58.94 1jsa h GLU 168 Cb 1.24 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.52 1jsa h GLU 168 CO 0.59 -0.11 0.12 0.87 -0.73 0.00 0.00 179.01 179.76 1jsa h LYS 169 N -0.16 0.16 0.00 1.92 1.79 -1.96 0.20 116.57 118.51 1jsa h LYS 169 Ca -0.00 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 1jsa h LYS 169 Cb 0.17 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1jsa h LYS 169 CO -0.07 0.10 -0.85 1.49 -1.08 0.00 0.00 179.45 179.05 1jsa h GLU 170 N 0.16 0.13 0.00 3.15 4.57 -1.85 -3.00 114.58 117.74 1jsa h GLU 170 Ca 0.48 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1jsa h GLU 170 Cb 0.91 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1jsa h GLU 170 CO -0.66 0.90 0.49 0.35 -1.18 0.00 0.00 179.01 178.92 1jsa h PHE 171 N 0.07 0.00 0.00 0.92 3.57 0.80 2.38 116.94 124.68 1jsa h PHE 171 Ca -0.03 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.19 1jsa h PHE 171 Cb 1.48 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.17 1jsa h PHE 171 CO 0.02 0.00 -1.62 0.82 -2.23 0.00 0.00 178.31 175.30 1jsa h ILE 172 N 0.00 0.96 0.00 1.41 2.04 -1.42 -3.36 117.51 117.13 1jsa h ILE 172 Ca 0.00 -2.79 -0.01 0.00 1.00 0.00 0.00 64.86 63.06 1jsa h ILE 172 Cb 0.98 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1jsa h ILE 172 CO 0.00 0.56 -0.08 -0.33 0.00 0.00 0.00 178.15 178.30 1jsa h GLU 173 N 0.00 0.00 -0.24 2.37 5.08 0.38 -2.03 114.58 120.14 1jsa h GLU 173 Ca -0.25 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1jsa h GLU 173 Cb 1.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 1jsa h GLU 173 CO 0.09 0.23 0.98 0.78 -1.00 0.00 0.00 179.01 180.08 1jsa h GLY 174 N -1.00 0.00 0.00 -3.84 0.00 -1.23 1.92 103.07 98.92 1jsa h GLY 174 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 1jsa h GLY 174 CO -0.01 0.00 -2.31 2.41 0.00 0.00 0.00 176.54 176.63 1jsa n THR 175 N -2.73 1.27 0.07 4.70 -1.04 -1.24 -4.39 114.28 110.93 1jsa n THR 175 Ca 0.05 -0.81 -0.06 0.00 -2.04 0.00 0.00 64.05 61.19 1jsa n THR 175 Cb 1.05 -0.46 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.01 -0.36 -4.42 4.07 0.36 -3.31 115.31 111.66 1jsa h LEU 176 Ca -0.50 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 57.52 1jsa h LEU 176 Cb 2.14 -0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.79 1jsa h LEU 176 CO 0.03 0.94 -0.34 0.00 -1.08 0.00 0.00 178.44 177.99 1jsa h ALA 177 N 1.06 -0.24 -3.26 1.53 0.00 -0.63 -3.39 119.26 114.32 1jsa h ALA 177 Ca -0.01 0.08 -0.64 0.00 0.00 0.00 0.00 54.91 54.34 1jsa h ALA 177 Cb 1.66 0.72 -0.17 0.00 0.00 0.00 0.00 17.79 19.99 1jsa h ALA 177 CO 0.12 -0.76 -0.60 -0.80 0.00 0.00 0.00 179.25 177.22 1jsa s ASN 178 N -5.05 5.35 0.00 0.00 0.01 -1.25 -4.97 114.94 109.03 1jsa s ASN 178 Ca -0.15 0.06 0.28 0.00 -0.71 0.00 0.00 52.86 52.34 1jsa s ASN 178 Cb 0.13 -1.80 0.98 0.00 0.41 0.00 0.00 41.25 40.97 1jsa s ASN 178 CO 0.67 0.24 1.75 2.29 -1.51 0.00 0.00 177.10 180.54 1jsa n LYS 179 N 3.11 0.02 0.00 -0.60 2.85 -1.26 -3.28 118.16 118.99 1jsa n LYS 179 Ca -0.17 -0.01 0.14 0.00 -1.05 0.00 0.00 58.31 57.22 1jsa n LYS 179 Cb 0.53 -1.50 0.64 0.00 -0.65 0.00 0.00 35.03 34.05 1jsa n LYS 179 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jsa n GLU 180 N -1.48 0.47 -0.09 -1.58 2.13 -1.26 -3.94 120.64 114.88 1jsa n GLU 180 Ca 0.07 -0.10 -0.16 0.00 0.66 0.00 0.00 57.16 57.62 1jsa n GLU 180 Cb 0.34 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.46 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jsa h ILE 181 N 0.25 0.66 -1.29 6.31 2.04 -1.84 -3.29 117.51 120.35 1jsa h ILE 181 Ca 0.00 -1.81 0.37 0.00 1.00 0.00 0.00 64.86 64.42 1jsa h ILE 181 Cb 0.36 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1jsa h ILE 181 CO 0.00 0.22 1.24 -0.11 0.00 0.00 0.00 178.15 179.50 1jsa n LEU 182 N -4.50 0.00 0.01 1.44 7.94 -1.25 0.86 117.00 121.49 1jsa n LEU 182 Ca -0.23 0.80 -0.22 0.00 -1.11 0.00 0.00 56.01 55.25 1jsa n LEU 182 Cb 0.53 -0.32 -0.14 0.00 0.53 0.00 0.00 43.42 44.02 1jsa n LEU 182 CO 0.17 -0.80 -0.79 -0.09 -1.11 0.00 0.00 177.39 174.76 1jsa h ARG 183 N 0.00 0.28 0.13 1.96 2.43 -1.75 -3.36 114.38 114.06 1jsa h ARG 183 Ca 0.61 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jsa h ARG 183 Cb 3.08 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 32.81 1jsa h ARG 183 CO -0.01 1.23 -0.06 1.25 -1.51 0.00 0.00 179.97 180.87 1jsa h LEU 184 N 0.07 -0.14 -0.76 3.80 7.12 0.40 -3.19 115.31 122.61 1jsa h LEU 184 Ca -0.42 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.25 1jsa h LEU 184 Cb 2.04 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.21 1jsa h LEU 184 CO 0.10 0.46 0.73 -0.29 -0.13 0.00 0.00 178.44 179.30 1jsa h ILE 185 N -0.94 0.00 -1.00 4.05 2.10 -0.85 -3.42 117.51 117.44 1jsa h ILE 185 Ca -0.02 0.00 -0.67 0.00 1.08 0.00 0.00 64.86 65.25 1jsa h ILE 185 Cb 0.48 0.25 0.11 0.00 -1.09 0.00 0.00 36.82 36.57 1jsa h ILE 185 CO 0.03 0.00 -0.50 0.00 -1.08 0.00 0.00 178.15 176.60 1jsa n GLN 186 N -2.60 0.00 -3.51 2.19 1.13 -1.21 -4.94 117.38 108.44 1jsa n GLN 186 Ca -0.01 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1jsa n GLN 186 Cb 0.74 -1.02 -0.12 0.00 0.11 0.00 0.00 30.24 29.95 1jsa n GLN 186 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1jsa s PHE 187 N -0.95 1.17 -2.00 1.08 -0.71 -1.26 -5.11 117.98 110.20 1jsa s PHE 187 Ca 0.65 -2.02 0.04 0.00 -1.04 0.00 0.00 56.93 54.56 1jsa s PHE 187 Cb -0.95 -1.18 0.25 0.00 -1.21 0.00 0.00 43.02 39.94 1jsa s PHE 187 CO 0.56 -0.81 0.73 0.39 -1.34 0.00 0.00 175.22 174.75