#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa s ASN 2 N 0.00 -0.48 0.00 1.61 3.84 -1.26 -5.15 114.94 113.50 1jsa s ASN 2 Ca 0.00 0.86 0.00 0.00 0.21 0.00 0.00 52.86 53.93 1jsa s ASN 2 Cb 0.00 0.76 0.00 0.00 -0.55 0.00 0.00 41.25 41.46 1jsa s ASN 2 CO 0.00 -0.19 0.00 -1.20 -2.79 0.00 0.00 177.10 172.92 1jsa n SER 3 N 4.32 0.00 -4.88 -4.21 7.64 -1.26 -5.06 113.62 110.16 1jsa n SER 3 Ca -0.23 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.32 1jsa n SER 3 Cb 0.55 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 1jsa n SER 3 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1jsa s LYS 4 N 3.15 3.73 -0.28 1.43 2.20 -1.26 -5.01 119.74 123.71 1jsa s LYS 4 Ca 0.00 0.11 0.18 0.00 -0.36 0.00 0.00 55.97 55.91 1jsa s LYS 4 Cb 0.00 -2.85 0.49 0.00 -1.51 0.00 0.00 37.83 33.97 1jsa s LYS 4 CO 0.00 0.46 1.12 0.43 -0.36 0.00 0.00 175.35 177.00 1jsa n SER 5 N 0.31 2.47 0.00 1.43 7.64 -1.26 -4.92 113.62 119.29 1jsa n SER 5 Ca -0.03 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1jsa n SER 5 Cb 0.52 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N -0.59 3.04 3.81 0.23 0.00 -1.26 -4.00 105.19 106.42 1jsa n GLY 6 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N -0.18 0.00 -0.11 4.61 0.00 -1.26 -4.83 120.51 118.74 1jsa n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 7 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1jsa n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jsa n LEU 8 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.63 117.00 115.89 1jsa n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jsa n LEU 8 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jsa n LEU 8 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 1jsa n SER 9 N -0.01 0.00 -0.56 -1.43 2.88 -1.26 -2.40 113.62 110.84 1jsa n SER 9 Ca 0.00 0.00 0.43 0.00 -1.33 0.00 0.00 58.87 57.97 1jsa n SER 9 Cb 0.00 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.12 1jsa n SER 9 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jsa n LYS 10 N 0.00 0.00 0.00 -1.46 4.01 -1.26 0.26 118.16 119.71 1jsa n LYS 10 Ca 0.00 0.90 -0.21 0.00 -0.51 0.00 0.00 58.31 58.49 1jsa n LYS 10 Cb 0.00 -2.10 -0.14 0.00 -0.51 0.00 0.00 35.03 32.28 1jsa n LYS 10 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1jsa n GLU 11 N -3.54 0.75 -0.05 1.97 1.02 -1.01 -4.02 120.64 115.77 1jsa n GLU 11 Ca 0.36 0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 57.56 1jsa n GLU 11 Cb 1.66 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 31.24 1jsa n GLU 11 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1jsa h ILE 12 N 0.02 0.98 -1.16 -3.67 2.04 0.11 -3.32 117.51 112.51 1jsa h ILE 12 Ca -0.42 -2.29 0.33 0.00 1.00 0.00 0.00 64.86 63.48 1jsa h ILE 12 Cb 2.00 2.52 -0.05 0.00 -0.74 0.00 0.00 36.82 40.55 1jsa h ILE 12 CO 0.07 0.56 0.83 -0.07 0.00 0.00 0.00 178.15 179.54 1jsa h LEU 13 N -0.60 0.03 -1.05 1.44 3.38 0.34 1.78 115.31 120.64 1jsa h LEU 13 Ca -0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jsa h LEU 13 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1jsa h LEU 13 CO -0.06 0.00 0.41 -0.08 0.09 0.00 0.00 178.44 178.81 1jsa h GLU 14 N 0.03 0.00 -0.00 1.13 4.81 -1.66 2.72 114.58 121.61 1jsa h GLU 14 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1jsa h GLU 14 Cb 2.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.56 1jsa h GLU 14 CO -0.03 0.00 -0.20 0.39 -0.73 0.00 0.00 179.01 178.44 1jsa n GLU 15 N -2.31 0.18 -0.36 1.92 -0.58 0.61 -4.24 120.64 115.85 1jsa n GLU 15 Ca -0.01 -0.06 0.30 0.00 -0.42 0.00 0.00 57.16 56.97 1jsa n GLU 15 Cb 0.44 -1.50 0.50 0.00 -0.57 0.00 0.00 31.44 30.30 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 -1.35 0.13 0.07 -4.62 -0.00 0.91 -0.85 117.00 111.29 1jsa n LEU 16 Ca 0.08 0.94 -0.03 0.00 -0.00 0.00 0.00 56.01 57.00 1jsa n LEU 16 Cb 0.32 -0.46 -0.02 0.00 -0.00 0.00 0.00 43.42 43.26 1jsa n LEU 16 CO 0.29 -1.02 0.18 1.56 -0.00 0.00 0.00 177.39 178.40 1jsa h GLN 17 N 0.00 -0.22 -1.41 1.47 4.20 -1.80 -3.23 115.11 114.13 1jsa h GLN 17 Ca 0.63 0.01 0.41 0.00 0.06 0.00 0.00 58.65 59.77 1jsa h GLN 17 Cb 2.12 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 29.89 1jsa h GLN 17 CO -0.28 -0.14 1.24 -0.07 -0.67 0.00 0.00 178.83 178.90 1jsa h LEU 18 N -0.53 0.00 -7.09 1.46 3.38 -1.30 -3.42 115.31 107.81 1jsa h LEU 18 Ca -0.02 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.16 1jsa h LEU 18 Cb 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.76 1jsa h LEU 18 CO 0.04 0.00 0.69 0.21 0.09 0.00 0.00 178.44 179.47 1jsa s ASN 19 N -3.87 -0.20 0.10 -0.43 3.84 -0.94 -4.33 114.94 109.12 1jsa s ASN 19 Ca -0.04 -0.06 -0.18 0.00 0.21 0.00 0.00 52.86 52.79 1jsa s ASN 19 Cb 0.20 0.25 -0.07 0.00 -0.55 0.00 0.00 41.25 41.08 1jsa s ASN 19 CO 0.68 -0.42 0.58 -0.89 -2.79 0.00 0.00 177.10 174.26 1jsa s THR 20 N -2.71 4.75 0.01 -5.21 2.01 -1.26 -4.07 115.64 109.16 1jsa s THR 20 Ca 0.09 1.13 -0.04 0.00 0.31 0.00 0.00 61.69 63.18 1jsa s THR 20 Cb -0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1jsa s THR 20 CO -0.05 0.45 0.22 -0.54 -0.69 0.00 0.00 174.62 174.01 1jsa s LYS 21 N -1.39 3.49 0.17 4.92 3.01 -1.26 -4.83 119.74 123.86 1jsa s LYS 21 Ca 0.32 -0.23 -0.15 0.00 -1.01 0.00 0.00 55.97 54.90 1jsa s LYS 21 Cb -0.18 -3.07 0.13 0.00 -1.01 0.00 0.00 37.83 33.70 1jsa s LYS 21 CO 0.19 0.65 1.69 0.74 0.51 0.00 0.00 175.35 179.14 1jsa h PHE 22 N 3.77 -0.04 -0.92 3.18 -1.00 -1.98 -3.42 116.94 116.54 1jsa h PHE 22 Ca -0.49 0.03 0.17 0.00 2.81 0.00 0.00 57.97 60.49 1jsa h PHE 22 Cb 1.19 0.08 -0.22 0.00 3.61 0.00 0.00 35.95 40.60 1jsa h PHE 22 CO 0.67 -0.09 0.09 0.95 -1.61 0.00 0.00 178.31 178.31 1jsa s THR 23 N -6.18 -0.58 0.61 -1.55 -4.23 -1.26 -4.99 115.64 97.45 1jsa s THR 23 Ca -0.13 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.64 1jsa s THR 23 Cb 0.15 -1.00 0.37 0.00 1.34 0.00 0.00 72.50 73.36 1jsa s THR 23 CO 0.71 0.00 1.53 1.05 -0.54 0.00 0.00 174.62 177.38 1jsa h GLU 24 N 7.76 0.00 0.00 3.99 -0.00 -2.03 2.39 114.58 126.68 1jsa h GLU 24 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.17 1jsa h GLU 24 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1jsa h GLU 24 CO 0.06 0.00 -0.12 1.49 -0.00 0.00 0.00 179.01 180.44 1jsa h GLU 25 N 0.00 0.00 -0.03 1.06 4.81 -1.99 -3.21 114.58 115.23 1jsa h GLU 25 Ca 0.35 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1jsa h GLU 25 Cb 2.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.55 1jsa h GLU 25 CO -0.00 0.12 -0.27 1.49 -0.73 0.00 0.00 179.01 179.62 1jsa h GLU 26 N 0.00 0.23 -1.65 1.92 4.57 0.37 -3.24 114.58 116.77 1jsa h GLU 26 Ca -0.00 -0.21 0.48 0.00 -1.18 0.00 0.00 59.36 58.45 1jsa h GLU 26 Cb 0.81 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.39 1jsa h GLU 26 CO 0.02 0.90 1.19 1.28 -1.18 0.00 0.00 179.01 181.21 1jsa n LEU 27 N -4.49 0.00 0.00 1.64 4.77 -1.18 -0.50 117.00 117.24 1jsa n LEU 27 Ca -0.09 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1jsa n LEU 27 Cb 0.49 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1jsa n LEU 27 CO 0.40 -0.84 0.00 -1.20 -1.33 0.00 0.00 177.39 174.42 1jsa n SER 28 N -3.63 0.00 -0.33 -1.43 7.64 -1.22 -4.24 113.62 110.41 1jsa n SER 28 Ca 0.37 0.14 0.16 0.00 1.01 0.00 0.00 58.87 60.55 1jsa n SER 28 Cb 1.69 -0.27 0.32 0.00 -1.01 0.00 0.00 64.21 64.94 1jsa n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1jsa h SER 29 N 0.00 -0.32 -0.85 6.43 0.87 -1.48 0.60 113.55 118.80 1jsa h SER 29 Ca 0.00 0.26 0.14 0.00 -1.23 0.00 0.00 61.79 60.96 1jsa h SER 29 Cb 0.00 0.43 -0.15 0.00 -0.44 0.00 0.00 62.40 62.24 1jsa h SER 29 CO 0.00 -0.33 -0.36 -0.25 -0.53 0.00 0.00 176.83 175.36 1jsa h TRP 30 N 0.04 -0.99 -0.51 2.24 2.91 -1.01 1.06 115.95 119.69 1jsa h TRP 30 Ca 0.62 0.09 0.15 0.00 1.13 0.00 0.00 58.89 60.88 1jsa h TRP 30 Cb 1.32 0.56 -0.02 0.00 -0.51 0.00 0.00 29.16 30.51 1jsa h TRP 30 CO -0.41 -0.40 0.84 -0.92 -1.03 0.00 0.00 178.44 176.53 1jsa h TYR 31 N -0.06 0.00 0.00 2.65 5.03 -1.05 -1.69 116.97 121.86 1jsa h TYR 31 Ca 0.31 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.60 1jsa h TYR 31 Cb 0.59 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 1jsa h TYR 31 CO -0.78 0.00 -0.54 0.37 -1.32 0.00 0.00 178.16 175.89 1jsa h GLN 32 N 0.00 0.00 0.00 1.82 4.15 0.11 -3.29 115.11 117.89 1jsa h GLN 32 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1jsa h GLN 32 Cb 1.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.61 1jsa h GLN 32 CO -0.00 0.12 0.73 0.66 -1.93 0.00 0.00 178.83 178.41 1jsa h SER 33 N -1.00 0.00 0.60 -0.69 4.64 -0.96 2.00 113.55 118.15 1jsa h SER 33 Ca -0.04 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.00 1jsa h SER 33 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1jsa h SER 33 CO -0.02 0.00 -1.42 0.15 -0.87 0.00 0.00 176.83 174.67 1jsa h PHE 34 N 0.00 0.26 0.00 4.77 3.04 -1.56 -2.78 116.94 120.68 1jsa h PHE 34 Ca 0.00 -0.19 -0.03 0.00 3.98 0.00 0.00 57.97 61.72 1jsa h PHE 34 Cb 1.46 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.96 1jsa h PHE 34 CO 0.00 1.22 -0.16 -0.07 -2.02 0.00 0.00 178.31 177.27 1jsa h LEU 35 N 0.04 0.00 0.06 0.59 3.38 0.31 0.25 115.31 119.94 1jsa h LEU 35 Ca -0.19 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.50 1jsa h LEU 35 Cb 1.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.68 1jsa h LEU 35 CO 0.14 0.16 -1.46 0.11 0.09 0.00 0.00 178.44 177.49 1jsa h LYS 36 N 0.00 0.12 -0.00 1.13 1.57 -1.52 -2.54 116.57 115.33 1jsa h LYS 36 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1jsa h LYS 36 Cb 0.39 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jsa h LYS 36 CO 0.02 0.92 -0.11 0.39 -0.57 0.00 0.00 179.45 180.10 1jsa n GLU 37 N -3.32 0.10 -2.72 3.15 1.02 -0.90 -4.63 120.64 113.35 1jsa n GLU 37 Ca -0.13 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.00 1jsa n GLU 37 Cb 1.02 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.95 1jsa n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa s PRO 39 N 1.86 2.18 0.00 0.00 0.02 -0.96 -4.45 135.00 133.66 1jsa s PRO 39 Ca 0.15 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.55 1jsa s PRO 39 Cb 0.05 -4.56 0.00 0.00 0.02 0.00 0.00 34.50 30.01 1jsa s PRO 39 CO -0.15 -3.19 0.00 0.45 -0.33 0.00 0.00 177.00 173.78 1jsa n SER 40 N 15.50 0.67 0.03 2.53 2.88 -1.26 -5.09 113.62 128.88 1jsa n SER 40 Ca 0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1jsa n SER 40 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.83 3.61 0.46 0.00 -1.26 -4.99 105.19 102.18 1jsa n GLY 41 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.03 0.01 1.61 1.81 -1.26 -4.44 118.95 118.71 1jsa s ARG 42 Ca 0.00 0.04 -0.23 0.00 -1.72 0.00 0.00 55.73 53.82 1jsa s ARG 42 Cb 0.00 -3.64 -0.05 0.00 -0.45 0.00 0.00 34.95 30.81 1jsa s ARG 42 CO 0.00 -0.24 0.69 0.42 -0.68 0.00 0.00 175.30 175.49 1jsa s ILE 43 N 1.94 4.85 0.56 1.52 -1.09 -0.68 -4.89 121.20 123.42 1jsa s ILE 43 Ca 0.15 1.45 0.07 0.00 -2.23 0.00 0.00 60.65 60.09 1jsa s ILE 43 Cb -0.16 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1jsa s ILE 43 CO 0.10 0.37 0.57 0.41 -1.23 0.00 0.00 174.94 175.15 1jsa n THR 44 N 2.94 0.00 0.00 2.92 -1.04 -1.26 -2.59 114.28 115.25 1jsa n THR 44 Ca -0.04 -2.07 -0.12 0.00 -2.04 0.00 0.00 64.05 59.78 1jsa n THR 44 Cb 0.51 -0.23 -0.09 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.09 0.00 -2.82 1.12 -1.97 -1.40 114.38 109.22 1jsa h ARG 45 Ca -0.32 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1jsa h ARG 45 Cb 1.26 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 1jsa h ARG 45 CO 0.48 0.47 0.00 -0.56 -3.11 0.00 0.00 179.97 177.25 1jsa h GLN 46 N -0.74 0.00 0.07 0.20 3.07 -2.00 -2.46 115.11 113.24 1jsa h GLN 46 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.40 1jsa h GLN 46 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.12 1jsa h GLN 46 CO 0.02 0.00 -1.87 -1.91 0.09 0.00 0.00 178.83 175.16 1jsa n GLU 47 N -3.05 0.71 -0.31 0.06 2.13 -1.19 -4.16 120.64 114.82 1jsa n GLU 47 Ca -0.02 0.28 0.15 0.00 0.66 0.00 0.00 57.16 58.23 1jsa n GLU 47 Cb 0.12 -1.75 0.32 0.00 0.27 0.00 0.00 31.44 30.41 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 0.04 0.36 0.00 4.31 3.04 -0.75 2.23 116.94 126.16 1jsa h PHE 48 Ca -0.36 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1jsa h PHE 48 Cb 2.03 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.53 1jsa h PHE 48 CO 0.04 -0.27 0.00 1.04 -2.02 0.00 0.00 178.31 177.11 1jsa n GLN 49 N -5.26 0.03 0.08 1.11 6.02 -1.25 -2.13 117.38 115.98 1jsa n GLN 49 Ca 0.24 0.36 -0.09 0.00 -0.01 0.00 0.00 57.00 57.50 1jsa n GLN 49 Cb 0.76 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 30.35 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 1.64 0.10 5.09 2.02 0.35 -3.14 112.91 118.96 1jsa h THR 50 Ca 0.00 -3.20 -0.34 0.00 0.77 0.00 0.00 66.41 63.64 1jsa h THR 50 Cb 0.18 2.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1jsa h THR 50 CO 0.00 0.92 -1.85 0.00 0.37 0.00 0.00 175.52 174.96 1jsa n ILE 51 N -3.44 1.73 0.26 3.11 3.06 -0.90 -3.95 119.36 119.23 1jsa n ILE 51 Ca -0.02 -0.52 0.04 0.00 -2.50 0.00 0.00 62.75 59.75 1jsa n ILE 51 Cb 0.93 -1.80 0.16 0.00 0.54 0.00 0.00 39.64 39.47 1jsa n ILE 51 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jsa n TYR 52 N -3.69 0.00 -0.01 9.51 9.36 -0.97 -2.80 117.16 128.56 1jsa n TYR 52 Ca -0.32 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.77 1jsa n TYR 52 Cb 0.97 -0.49 -0.10 0.00 -0.63 0.00 0.00 39.34 39.08 1jsa n TYR 52 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jsa h SER 53 N 0.00 -0.02 -1.23 2.98 4.64 -1.67 -3.12 113.55 115.14 1jsa h SER 53 Ca 0.00 -0.48 0.39 0.00 -0.47 0.00 0.00 61.79 61.23 1jsa h SER 53 Cb 0.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.10 1jsa h SER 53 CO 0.00 0.47 0.79 0.11 -0.87 0.00 0.00 176.83 177.33 1jsa h LYS 54 N -0.51 0.16 -6.38 4.77 1.57 -1.73 -3.40 116.57 111.05 1jsa h LYS 54 Ca -0.00 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1jsa h LYS 54 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jsa h LYS 54 CO 0.00 0.11 -0.30 -0.06 -0.57 0.00 0.00 179.45 178.63 1jsa s PHE 55 N -5.36 3.32 -1.26 -1.35 0.08 -1.18 -4.55 117.98 107.67 1jsa s PHE 55 Ca -0.08 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 1jsa s PHE 55 Cb 0.29 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1jsa s PHE 55 CO 0.81 0.11 0.73 1.19 -0.10 0.00 0.00 175.22 177.96 1jsa n PHE 56 N -1.66 -1.96 0.26 0.36 3.72 -1.26 -4.86 117.46 112.06 1jsa n PHE 56 Ca -0.04 0.79 0.15 0.00 -0.05 0.00 0.00 57.45 58.30 1jsa n PHE 56 Cb 0.57 -4.24 0.61 0.00 -0.94 0.00 0.00 39.48 35.48 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N -1.80 0.00 -0.33 -1.08 0.13 -1.80 -3.24 132.00 123.88 1jsa h PRO 57 Ca -0.62 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1jsa h PRO 57 Cb 1.35 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 1jsa h PRO 57 CO 0.54 0.06 -0.25 1.05 -0.23 0.00 0.00 178.00 179.17 1jsa h GLU 58 N 0.00 -0.21 0.00 0.86 4.11 -1.96 -3.44 114.58 113.94 1jsa h GLU 58 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1jsa h GLU 58 Cb 0.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jsa h GLU 58 CO 0.01 -0.14 0.00 0.00 0.07 0.00 0.00 179.01 178.95 1jsa n ALA 59 N -2.88 0.00 -3.20 1.06 0.00 -1.22 -4.87 120.51 109.40 1jsa n ALA 59 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 1jsa n ALA 59 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 1jsa n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jsa n ASP 60 N 0.00 1.10 -0.48 0.00 2.03 -1.22 -4.93 116.55 113.06 1jsa n ASP 60 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1jsa n ASP 60 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jsa n PRO 61 N 0.86 0.18 0.18 -0.67 -0.04 -1.26 -3.68 135.00 130.57 1jsa n PRO 61 Ca 0.24 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 1jsa n PRO 61 Cb 0.55 -1.09 0.73 0.00 -0.04 0.00 0.00 33.50 33.65 1jsa n PRO 61 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1jsa h LYS 62 N 0.78 0.00 0.00 0.54 3.64 -1.93 0.25 116.57 119.85 1jsa h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jsa h LYS 62 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jsa h LYS 62 CO 0.00 0.00 -0.78 0.00 -2.27 0.00 0.00 179.45 176.40 1jsa h ALA 63 N 1.87 0.61 0.00 5.00 0.00 -1.88 -3.32 119.26 121.54 1jsa h ALA 63 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jsa h ALA 63 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jsa h ALA 63 CO -0.00 0.00 -1.09 0.98 0.00 0.00 0.00 179.25 179.14 1jsa n TYR 64 N -2.75 0.97 0.76 0.00 9.36 0.26 -3.75 117.16 122.01 1jsa n TYR 64 Ca 0.01 0.29 0.12 0.00 3.32 0.00 0.00 57.90 61.64 1jsa n TYR 64 Cb 0.54 -0.99 0.49 0.00 -0.63 0.00 0.00 39.34 38.76 1jsa n TYR 64 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jsa n ALA 65 N -2.22 2.08 0.09 2.98 0.00 0.61 -2.79 120.51 121.25 1jsa n ALA 65 Ca -0.02 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1jsa n ALA 65 Cb 0.61 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1jsa n ALA 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jsa h GLN 66 N 0.00 0.00 0.00 0.00 4.20 -1.70 -3.31 115.11 114.29 1jsa h GLN 66 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1jsa h GLN 66 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1jsa h GLN 66 CO 0.00 0.16 -0.25 0.45 -0.67 0.00 0.00 178.83 178.52 1jsa h HIS 67 N 0.00 0.00 0.00 2.96 3.86 -1.68 -3.16 115.15 117.13 1jsa h HIS 67 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1jsa h HIS 67 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1jsa h HIS 67 CO 0.00 0.23 0.00 0.28 0.86 0.00 0.00 177.93 179.30 1jsa n VAL 68 N -3.15 1.57 0.00 2.45 0.31 -1.23 -3.29 118.33 114.98 1jsa n VAL 68 Ca 0.03 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1jsa n VAL 68 Cb 0.62 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 -1.48 0.00 0.25 3.52 7.35 -1.19 -3.44 117.46 122.46 1jsa n PHE 69 Ca 0.01 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.75 1jsa n PHE 69 Cb 0.06 -0.34 0.25 0.00 0.35 0.00 0.00 39.48 39.80 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 -0.57 -4.13 2.47 -1.78 0.51 114.38 110.88 1jsa h ARG 70 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1jsa h ARG 70 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 1jsa h ARG 70 CO 0.00 0.00 0.38 0.77 0.56 0.00 0.00 179.97 181.68 1jsa h SER 71 N 0.00 0.59 -0.09 7.04 0.02 -1.57 -3.36 113.55 116.17 1jsa h SER 71 Ca 0.00 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.72 1jsa h SER 71 Cb 1.27 -0.14 -0.18 0.00 0.14 0.00 0.00 62.40 63.50 1jsa h SER 71 CO 0.00 0.41 -0.42 0.33 -1.14 0.00 0.00 176.83 176.01 1jsa n PHE 72 N -4.46 -2.02 -2.45 3.45 7.35 0.17 -4.55 117.46 114.96 1jsa n PHE 72 Ca 0.07 -1.95 -0.01 0.00 -0.76 0.00 0.00 57.45 54.79 1jsa n PHE 72 Cb 0.12 1.40 0.02 0.00 0.35 0.00 0.00 39.48 41.37 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 -0.77 0.07 -3.42 -2.13 2.03 -0.98 -4.89 116.55 106.46 1jsa n ASP 73 Ca -0.05 -2.04 -0.36 0.00 0.52 0.00 0.00 54.79 52.86 1jsa n ASP 73 Cb 0.85 0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.23 5.47 -4.49 -1.67 0.00 -1.26 -4.64 120.51 113.68 1jsa n ALA 74 Ca -0.08 -4.66 -0.27 0.00 0.00 0.00 0.00 53.44 48.42 1jsa n ALA 74 Cb 0.90 -1.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 0.01 1.59 -1.34 0.00 0.23 -1.26 -4.97 115.26 109.52 1jsa n ASN 75 Ca 0.39 -3.09 0.00 0.00 -0.53 0.00 0.00 54.58 51.35 1jsa n ASN 75 Cb 0.32 0.88 0.00 0.00 -2.08 0.00 0.00 39.78 38.89 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jsa n SER 76 N -1.50 1.53 -0.10 0.53 3.41 -1.26 -3.32 113.62 112.91 1jsa n SER 76 Ca -0.08 -1.09 -0.15 0.00 -0.26 0.00 0.00 58.87 57.29 1jsa n SER 76 Cb 0.59 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jsa n ASP 77 N 1.23 1.86 0.00 4.04 -0.08 -1.26 -5.00 116.55 117.34 1jsa n ASP 77 Ca 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1jsa n ASP 77 Cb 0.19 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 42.93 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jsa n GLY 78 N 1.54 1.61 3.30 0.27 0.00 -1.21 -5.01 105.19 105.69 1jsa n GLY 78 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.33 0.09 0.17 2.61 -4.23 -1.26 -5.05 115.64 105.65 1jsa s THR 79 Ca 0.00 -1.02 -0.17 0.00 -1.18 0.00 0.00 61.69 59.32 1jsa s THR 79 Cb 0.00 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.34 1jsa s THR 79 CO 0.00 -0.42 0.63 -0.76 -0.54 0.00 0.00 174.62 173.52 1jsa s LEU 80 N -2.87 4.36 0.27 4.79 1.43 -1.07 -4.90 118.68 120.69 1jsa s LEU 80 Ca 0.08 1.25 0.12 0.00 -1.03 0.00 0.00 54.13 54.54 1jsa s LEU 80 Cb 0.03 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1jsa s LEU 80 CO -0.08 0.09 -0.20 -0.62 0.23 0.00 0.00 176.35 175.77 1jsa s ASP 81 N -1.62 3.61 0.11 2.29 2.15 -1.26 -1.68 116.67 120.27 1jsa s ASP 81 Ca 0.39 -0.99 -0.33 0.00 0.43 0.00 0.00 52.55 52.05 1jsa s ASP 81 Cb -0.16 -0.32 -0.12 0.00 -0.30 0.00 0.00 42.92 42.03 1jsa s ASP 81 CO 0.20 0.05 1.57 0.15 -0.17 0.00 0.00 175.17 176.97 1jsa h PHE 82 N 2.38 -1.37 -0.86 -5.34 3.57 -1.98 1.22 116.94 114.54 1jsa h PHE 82 Ca -0.41 0.04 0.23 0.00 3.53 0.00 0.00 57.97 61.36 1jsa h PHE 82 Cb 1.25 0.59 -0.14 0.00 2.79 0.00 0.00 35.95 40.45 1jsa h PHE 82 CO 0.79 -0.55 0.22 -0.22 -2.23 0.00 0.00 178.31 176.31 1jsa h LYS 83 N -0.68 0.20 -0.10 1.11 3.11 -1.97 0.39 116.57 118.63 1jsa h LYS 83 Ca 0.02 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1jsa h LYS 83 Cb 0.71 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1jsa h LYS 83 CO -0.30 0.13 -0.10 0.93 -2.81 0.00 0.00 179.45 177.30 1jsa h GLU 84 N 0.21 0.25 -0.53 1.90 5.08 -1.53 -3.21 114.58 116.74 1jsa h GLU 84 Ca 0.53 -0.13 0.10 0.00 -1.00 0.00 0.00 59.36 58.86 1jsa h GLU 84 Cb 1.06 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1jsa h GLU 84 CO -0.65 0.66 0.07 -0.92 -1.00 0.00 0.00 179.01 177.17 1jsa h TYR 85 N -0.16 0.10 -0.63 4.33 3.20 0.42 -1.69 116.97 122.54 1jsa h TYR 85 Ca 0.02 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.05 1jsa h TYR 85 Cb 0.62 0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.81 1jsa h TYR 85 CO 0.09 -0.06 -0.16 0.28 -1.64 0.00 0.00 178.16 176.66 1jsa h VAL 86 N 0.19 0.36 0.36 1.81 2.07 -0.38 0.86 116.25 121.52 1jsa h VAL 86 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1jsa h VAL 86 Cb 0.40 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1jsa h VAL 86 CO -0.39 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.26 1jsa h ILE 87 N -0.01 0.30 -0.78 4.57 1.08 -1.36 1.18 117.51 122.50 1jsa h ILE 87 Ca 0.30 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.77 1jsa h ILE 87 Cb 0.47 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1jsa h ILE 87 CO -0.65 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.29 1jsa h ALA 88 N -0.23 0.99 0.19 1.87 0.00 -0.96 -1.27 119.26 119.85 1jsa h ALA 88 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jsa h ALA 88 Cb 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jsa h ALA 88 CO -0.05 0.44 -0.09 1.25 0.00 0.00 0.00 179.25 180.80 1jsa h LEU 89 N 1.06 -0.22 -1.38 0.00 7.12 0.10 -2.59 115.31 119.41 1jsa h LEU 89 Ca 0.28 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.30 1jsa h LEU 89 Cb -0.06 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1jsa h LEU 89 CO -0.06 0.20 0.22 1.12 -0.13 0.00 0.00 178.44 179.79 1jsa h HIS 90 N -0.96 0.00 0.16 1.25 2.07 0.14 -0.50 115.15 117.31 1jsa h HIS 90 Ca -0.03 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.15 1jsa h HIS 90 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1jsa h HIS 90 CO 0.01 0.00 -1.74 1.98 -3.07 0.00 0.00 177.93 175.11 1jsa h MET 91 N 0.00 0.35 0.00 5.12 1.85 -1.25 -2.78 114.93 118.22 1jsa h MET 91 Ca 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 59.70 58.49 1jsa h MET 91 Cb 0.45 0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.70 1jsa h MET 91 CO 0.00 1.29 0.00 2.41 -0.40 0.00 0.00 176.91 180.21 1jsa n THR 92 N -3.64 0.00 0.02 -0.77 -1.04 -0.20 -2.94 114.28 105.72 1jsa n THR 92 Ca -0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1jsa n THR 92 Cb 1.04 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1jsa n THR 92 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1jsa n SER 93 N -0.57 0.21 -4.56 8.00 7.64 -1.23 -4.93 113.62 118.19 1jsa n SER 93 Ca 0.01 0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 1jsa n SER 93 Cb 0.00 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jsa s ALA 94 N -2.00 1.94 0.62 -0.43 0.00 -1.05 -4.95 121.76 115.90 1jsa s ALA 94 Ca 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 1jsa s ALA 94 Cb 0.00 -4.56 0.06 0.00 0.00 0.00 0.00 23.12 18.62 1jsa s ALA 94 CO 0.00 -4.53 0.87 0.20 0.00 0.00 0.00 175.76 172.30 1jsa s GLY 95 N 7.16 1.79 -0.23 0.00 0.00 -1.26 -4.75 107.32 110.02 1jsa s GLY 95 Ca 0.64 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 1jsa s GLY 95 CO -0.02 -0.98 0.07 0.28 0.00 0.00 0.00 173.10 172.46 1jsa n LYS 96 N -2.57 -2.41 -4.08 2.90 4.01 -1.26 -5.04 118.16 109.71 1jsa n LYS 96 Ca 0.10 2.10 -0.15 0.00 -0.51 0.00 0.00 58.31 59.85 1jsa n LYS 96 Cb 0.60 -3.98 -0.04 0.00 -0.51 0.00 0.00 35.03 31.10 1jsa n LYS 96 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jsa s THR 97 N -1.52 0.00 0.22 -0.18 -4.23 -1.26 -5.03 115.64 103.65 1jsa s THR 97 Ca 0.03 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 1jsa s THR 97 Cb -0.01 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.43 1jsa s THR 97 CO 0.56 0.00 1.56 0.78 -0.54 0.00 0.00 174.62 176.98 1jsa h ASN 98 N 2.11 -1.28 -3.17 3.99 4.21 -1.87 -3.42 115.58 116.14 1jsa h ASN 98 Ca -0.28 0.28 0.05 0.00 1.21 0.00 0.00 56.30 57.56 1jsa h ASN 98 Cb 1.24 0.68 -0.25 0.00 -1.12 0.00 0.00 38.32 38.87 1jsa h ASN 98 CO 0.39 -0.29 0.35 0.00 -1.29 0.00 0.00 177.43 176.58 1jsa s GLN 99 N -6.00 0.55 0.00 0.81 -2.07 -1.26 -5.03 119.66 106.66 1jsa s GLN 99 Ca -0.14 0.73 0.00 0.00 -1.82 0.00 0.00 55.36 54.13 1jsa s GLN 99 Cb 0.20 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1jsa s GLN 99 CO 0.72 -0.08 0.00 0.36 -1.32 0.00 0.00 175.29 174.97 1jsa n LYS 100 N 2.78 0.00 -0.23 9.60 2.85 -1.26 -4.57 118.16 127.32 1jsa n LYS 100 Ca -0.15 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.10 1jsa n LYS 100 Cb 0.56 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.05 1jsa n LYS 100 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1jsa h LEU 101 N 0.00 0.53 -0.78 -5.58 3.38 -1.96 -1.69 115.31 109.21 1jsa h LEU 101 Ca 0.00 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1jsa h LEU 101 Cb 0.09 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 1jsa h LEU 101 CO 0.00 0.34 0.25 -0.08 0.09 0.00 0.00 178.44 179.04 1jsa h GLU 102 N 0.67 0.32 -0.16 1.13 4.81 -1.96 0.56 114.58 119.95 1jsa h GLU 102 Ca 0.31 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1jsa h GLU 102 Cb 0.22 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1jsa h GLU 102 CO -0.20 0.21 0.07 -1.49 -0.73 0.00 0.00 179.01 176.88 1jsa h TRP 103 N 0.33 0.20 -0.95 0.92 6.55 -1.70 -1.66 115.95 119.64 1jsa h TRP 103 Ca 0.45 0.00 0.06 0.00 0.95 0.00 0.00 58.89 60.35 1jsa h TRP 103 Cb 0.79 -0.07 -0.06 0.00 -0.86 0.00 0.00 29.16 28.96 1jsa h TRP 103 CO -0.22 0.16 0.62 0.00 -1.05 0.00 0.00 178.44 177.95 1jsa h ALA 104 N 1.87 1.44 -0.84 1.49 0.00 0.28 -1.56 119.26 121.94 1jsa h ALA 104 Ca 0.06 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1jsa h ALA 104 Cb 0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 17.79 17.40 1jsa h ALA 104 CO -0.01 0.43 0.29 0.35 0.00 0.00 0.00 179.25 180.31 1jsa h PHE 105 N 1.13 0.47 -0.42 0.00 3.04 -1.16 0.19 116.94 120.18 1jsa h PHE 105 Ca 0.40 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.48 1jsa h PHE 105 Cb 0.13 -0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.49 1jsa h PHE 105 CO -0.00 -0.09 -0.08 0.77 -2.02 0.00 0.00 178.31 176.89 1jsa h SER 106 N 0.32 -0.34 0.27 0.41 0.02 -1.39 0.81 113.55 113.65 1jsa h SER 106 Ca 0.51 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.57 1jsa h SER 106 Cb 0.95 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1jsa h SER 106 CO -0.55 -0.12 -0.13 0.25 -1.14 0.00 0.00 176.83 175.14 1jsa h LEU 107 N 0.02 -0.31 -2.21 5.07 7.12 -0.74 -1.10 115.31 123.16 1jsa h LEU 107 Ca 0.20 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1jsa h LEU 107 Cb 0.31 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1jsa h LEU 107 CO -0.42 -0.19 0.00 0.22 -0.13 0.00 0.00 178.44 177.92 1jsa h TYR 108 N -0.41 0.00 -2.86 1.25 5.03 -0.32 -3.15 116.97 116.51 1jsa h TYR 108 Ca -0.04 0.00 -0.77 0.00 2.58 0.00 0.00 58.73 60.50 1jsa h TYR 108 Cb 0.31 0.00 -0.31 0.00 1.55 0.00 0.00 36.73 38.28 1jsa h TYR 108 CO -0.05 0.00 0.49 -3.47 -1.32 0.00 0.00 178.16 173.82 1jsa n ASP 109 N -2.74 5.83 -0.02 -2.11 -0.08 0.27 -4.71 116.55 113.00 1jsa n ASP 109 Ca -0.02 -3.38 -0.00 0.00 -1.51 0.00 0.00 54.79 49.87 1jsa n ASP 109 Cb 0.08 -1.17 -0.00 0.00 2.34 0.00 0.00 41.12 42.37 1jsa n ASP 109 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1jsa n VAL 110 N 1.37 -0.02 0.02 5.18 0.31 -1.19 -1.30 118.33 122.69 1jsa n VAL 110 Ca 0.26 1.35 -0.10 0.00 -0.01 0.00 0.00 64.34 65.85 1jsa n VAL 110 Cb 0.35 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 1jsa n VAL 110 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1jsa h ASP 111 N 0.00 -0.58 0.00 4.52 3.04 -1.91 -3.44 116.42 118.04 1jsa h ASP 111 Ca 0.01 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1jsa h ASP 111 Cb 0.01 0.26 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 1jsa h ASP 111 CO -0.03 -0.24 0.00 0.61 -2.04 0.00 0.00 179.24 177.53 1jsa n GLY 112 N -1.33 0.68 1.19 7.15 0.00 -0.42 -5.05 105.19 107.41 1jsa n GLY 112 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.49 -1.50 1.61 0.23 -1.26 -4.97 115.26 109.86 1jsa n ASN 113 Ca 0.00 -1.96 -0.17 0.00 -0.53 0.00 0.00 54.58 51.92 1jsa n ASN 113 Cb 0.00 -0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 37.44 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 0.31 1.60 3.22 4.83 0.00 -1.26 -4.91 105.19 108.98 1jsa n GLY 114 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N -2.44 -0.41 -0.07 2.61 -4.23 -1.26 -3.39 115.64 106.46 1jsa s THR 115 Ca 0.00 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.48 1jsa s THR 115 Cb 0.00 -0.60 -0.05 0.00 1.34 0.00 0.00 72.50 73.19 1jsa s THR 115 CO 0.00 0.07 0.54 -0.63 -0.54 0.00 0.00 174.62 174.06 1jsa s ILE 116 N 2.17 5.07 0.12 2.99 1.01 0.14 -4.89 121.20 127.82 1jsa s ILE 116 Ca -0.04 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.80 1jsa s ILE 116 Cb -0.11 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1jsa s ILE 116 CO -0.12 0.36 -0.14 -0.55 0.00 0.00 0.00 174.94 174.49 1jsa s SER 117 N 0.29 4.14 0.30 3.58 0.15 -1.26 -2.24 113.70 118.65 1jsa s SER 117 Ca 0.29 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1jsa s SER 117 Cb -0.16 -0.68 0.77 0.00 -1.71 0.00 0.00 66.02 64.23 1jsa s SER 117 CO 0.14 0.17 1.70 0.50 1.20 0.00 0.00 173.24 176.94 1jsa h LYS 118 N 3.55 0.41 -0.42 5.44 3.64 -1.92 0.79 116.57 128.06 1jsa h LYS 118 Ca -0.49 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1jsa h LYS 118 Cb 1.17 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1jsa h LYS 118 CO 0.50 0.27 0.05 -0.91 -2.27 0.00 0.00 179.45 177.09 1jsa h ASN 119 N 0.42 -0.07 0.43 4.20 2.35 -2.00 -1.87 115.58 119.04 1jsa h ASN 119 Ca 0.58 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.40 1jsa h ASN 119 Cb 1.12 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1jsa h ASN 119 CO -0.53 -0.00 -0.29 -0.33 -1.65 0.00 0.00 177.43 174.63 1jsa h GLU 120 N 0.17 -0.67 -0.47 0.81 5.08 -1.23 -0.61 114.58 117.65 1jsa h GLU 120 Ca 0.21 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 1jsa h GLU 120 Cb 0.28 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1jsa h GLU 120 CO -0.30 -0.45 0.65 0.28 -1.00 0.00 0.00 179.01 178.19 1jsa h VAL 121 N -0.70 0.20 0.46 3.13 2.07 -1.03 -0.79 116.25 119.58 1jsa h VAL 121 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1jsa h VAL 121 Cb 0.58 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1jsa h VAL 121 CO 0.03 0.00 -0.22 0.25 0.02 0.00 0.00 177.57 177.65 1jsa h LEU 122 N 0.00 -0.52 -0.27 2.57 6.46 -0.29 -2.81 115.31 120.45 1jsa h LEU 122 Ca 0.22 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1jsa h LEU 122 Cb 1.52 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.57 1jsa h LEU 122 CO -0.00 -0.20 0.10 1.05 -0.62 0.00 0.00 178.44 178.76 1jsa h GLU 123 N -0.87 0.41 -0.80 1.25 4.11 -1.10 -2.46 114.58 115.12 1jsa h GLU 123 Ca -0.06 -0.08 0.19 0.00 0.07 0.00 0.00 59.36 59.47 1jsa h GLU 123 Cb 0.57 -0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.62 1jsa h GLU 123 CO 0.10 0.45 0.01 0.82 0.07 0.00 0.00 179.01 180.47 1jsa h ILE 124 N 0.27 0.29 -0.39 -1.06 1.08 -1.50 0.25 117.51 116.45 1jsa h ILE 124 Ca 0.09 -0.03 -0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1jsa h ILE 124 Cb 0.21 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1jsa h ILE 124 CO -0.01 0.02 0.06 0.58 -0.69 0.00 0.00 178.15 178.11 1jsa h VAL 125 N 0.09 1.24 0.44 1.67 2.07 -1.28 -2.80 116.25 117.69 1jsa h VAL 125 Ca 0.44 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1jsa h VAL 125 Cb 0.80 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1jsa h VAL 125 CO -0.71 0.30 -0.37 0.74 0.02 0.00 0.00 177.57 177.55 1jsa h THR 126 N 0.50 0.25 -0.65 2.57 2.02 -0.17 -1.68 112.91 115.74 1jsa h THR 126 Ca 0.12 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.40 1jsa h THR 126 Cb 0.38 0.25 -0.12 0.00 -1.74 0.00 0.00 68.15 66.92 1jsa h THR 126 CO 0.01 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.50 1jsa h ALA 127 N -0.40 -0.17 -0.68 6.16 0.00 -0.81 0.32 119.26 123.66 1jsa h ALA 127 Ca -0.04 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1jsa h ALA 127 Cb 0.70 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1jsa h ALA 127 CO -0.02 -0.75 0.20 0.82 0.00 0.00 0.00 179.25 179.50 1jsa h ILE 128 N -0.17 0.63 -0.80 0.00 2.04 -1.22 0.71 117.51 118.70 1jsa h ILE 128 Ca 0.22 -0.12 0.19 0.00 1.00 0.00 0.00 64.86 66.15 1jsa h ILE 128 Cb 0.56 0.26 -0.13 0.00 -0.74 0.00 0.00 36.82 36.78 1jsa h ILE 128 CO -0.73 0.06 0.18 0.15 0.00 0.00 0.00 178.15 177.81 1jsa h PHE 129 N 0.34 0.27 -0.91 1.37 3.57 0.57 1.14 116.94 123.28 1jsa h PHE 129 Ca 0.37 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.99 1jsa h PHE 129 Cb 0.57 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 1jsa h PHE 129 CO -0.22 -0.15 0.59 0.87 -2.23 0.00 0.00 178.31 177.17 1jsa h LYS 130 N 0.23 0.98 0.00 1.11 1.79 -0.42 0.68 116.57 120.94 1jsa h LYS 130 Ca 0.47 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 1jsa h LYS 130 Cb 0.87 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1jsa h LYS 130 CO -0.59 0.65 0.00 1.98 -1.08 0.00 0.00 179.45 180.41 1jsa h MET 131 N 1.00 0.00 -4.21 3.15 4.05 0.16 -3.22 114.93 115.86 1jsa h MET 131 Ca 0.40 0.00 -0.75 0.00 -0.28 0.00 0.00 59.70 59.07 1jsa h MET 131 Cb 0.25 0.00 -0.24 0.00 -0.80 0.00 0.00 31.60 30.82 1jsa h MET 131 CO -0.16 0.00 -0.28 0.42 0.23 0.00 0.00 176.91 177.12 1jsa s ILE 132 N -3.60 5.15 0.95 1.77 1.01 0.24 -4.48 121.20 122.25 1jsa s ILE 132 Ca -0.01 -1.31 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 1jsa s ILE 132 Cb 0.08 -4.20 0.17 0.00 0.01 0.00 0.00 42.46 38.53 1jsa s ILE 132 CO 0.32 -0.72 1.12 -0.94 0.00 0.00 0.00 174.94 174.72 1jsa s SER 133 N 3.06 2.65 0.31 3.58 1.04 -1.26 -4.59 113.70 118.48 1jsa s SER 133 Ca 0.04 2.00 0.05 0.00 0.48 0.00 0.00 55.95 58.51 1jsa s SER 133 Cb -0.27 -2.50 0.69 0.00 0.10 0.00 0.00 66.02 64.04 1jsa s SER 133 CO 0.04 -3.24 1.82 -0.65 0.98 0.00 0.00 173.24 172.20 1jsa h PRO 134 N -1.96 0.81 -0.96 4.02 0.11 -1.94 -0.65 132.00 131.43 1jsa h PRO 134 Ca -0.47 -0.05 0.24 0.00 0.11 0.00 0.00 66.00 65.83 1jsa h PRO 134 Cb 1.28 -0.18 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 1jsa h PRO 134 CO 0.45 0.54 0.50 1.49 -0.21 0.00 0.00 178.00 180.76 1jsa h GLU 135 N 0.84 0.45 0.08 1.05 4.81 -2.01 -1.38 114.58 118.42 1jsa h GLU 135 Ca 0.52 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 59.39 1jsa h GLU 135 Cb 0.70 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1jsa h GLU 135 CO -0.29 0.30 -1.81 -0.44 -0.73 0.00 0.00 179.01 176.04 1jsa h ASP 136 N 0.46 0.28 0.00 1.04 3.32 -1.51 -3.32 116.42 116.70 1jsa h ASP 136 Ca 0.62 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1jsa h ASP 136 Cb 1.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1jsa h ASP 136 CO -0.52 1.51 0.24 0.41 -1.72 0.00 0.00 179.24 179.15 1jsa n THR 137 N -3.34 0.86 1.28 0.35 -1.04 -0.44 0.10 114.28 112.06 1jsa n THR 137 Ca -0.24 0.45 0.03 0.00 -2.04 0.00 0.00 64.05 62.25 1jsa n THR 137 Cb 1.05 -1.45 0.08 0.00 -1.82 0.00 0.00 70.33 68.19 1jsa n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1jsa n LYS 138 N -1.19 1.51 -0.07 -2.82 3.00 -1.10 -4.15 118.16 113.34 1jsa n LYS 138 Ca 0.00 -0.68 -0.07 0.00 -0.00 0.00 0.00 58.31 57.56 1jsa n LYS 138 Cb 0.24 -1.22 -0.02 0.00 0.00 0.00 0.00 35.03 34.02 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 0.06 0.00 -1.58 5.64 8.25 0.29 -4.98 115.22 122.90 1jsa n HIS 139 Ca 0.06 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.05 1jsa n HIS 139 Cb 0.20 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 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 -4.17 1.60 -4.62 2.41 7.99 -1.26 -4.90 117.00 114.06 1jsa n LEU 140 Ca -0.11 1.15 -0.30 0.00 -0.01 0.00 0.00 56.01 56.74 1jsa n LEU 140 Cb 0.41 -1.24 0.19 0.00 -0.11 0.00 0.00 43.42 42.67 1jsa n LEU 140 CO 0.17 -1.35 0.63 -2.16 -1.51 0.00 0.00 177.39 173.17 1jsa s PRO 141 N -0.78 0.45 0.99 3.23 0.04 -1.26 -4.76 135.00 132.91 1jsa s PRO 141 Ca 0.68 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1jsa s PRO 141 Cb -0.80 -1.68 0.18 0.00 0.04 0.00 0.00 34.50 32.25 1jsa s PRO 141 CO 0.55 -2.95 1.16 -2.00 0.04 0.00 0.00 177.00 173.79 1jsa s GLU 142 N -4.59 0.50 0.00 4.56 2.12 -1.26 -2.15 118.70 117.88 1jsa s GLU 142 Ca 0.67 0.13 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1jsa s GLU 142 Cb -0.23 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1jsa s GLU 142 CO 0.60 -2.60 0.00 -0.25 -0.54 0.00 0.00 175.26 172.47 1jsa n ASP 143 N -4.01 -1.91 -0.27 -1.70 8.00 -1.26 -4.28 116.55 111.12 1jsa n ASP 143 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1jsa n ASP 143 Cb 0.59 -1.86 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 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 0.01 0.00 -0.42 -1.24 4.71 -1.18 -4.83 120.64 117.69 1jsa n GLU 144 Ca 0.00 -0.59 0.08 0.00 -0.01 0.00 0.00 57.16 56.65 1jsa n GLU 144 Cb 0.16 -0.38 0.25 0.00 -1.01 0.00 0.00 31.44 30.45 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1jsa n ASN 145 N 0.00 3.70 -4.50 1.62 6.94 -0.91 -4.66 115.26 117.44 1jsa n ASN 145 Ca 0.00 -3.06 -0.25 0.00 -0.02 0.00 0.00 54.58 51.25 1jsa n ASN 145 Cb 0.58 -0.54 -0.10 0.00 -2.36 0.00 0.00 39.78 37.36 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 -2.85 2.72 0.08 5.53 -4.23 -1.26 -5.03 115.64 110.60 1jsa s THR 146 Ca 0.41 -2.12 -0.31 0.00 -1.18 0.00 0.00 61.69 58.50 1jsa s THR 146 Cb 0.34 -2.39 -0.16 0.00 1.34 0.00 0.00 72.50 71.63 1jsa s THR 146 CO 0.08 -0.28 1.63 1.55 -0.54 0.00 0.00 174.62 177.06 1jsa h PRO 147 N 2.54 -0.73 0.00 3.99 0.13 -1.91 -0.03 132.00 135.99 1jsa h PRO 147 Ca -0.43 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jsa h PRO 147 Cb 1.24 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1jsa h PRO 147 CO 0.56 -0.48 0.00 0.39 -0.23 0.00 0.00 178.00 178.24 1jsa n GLU 148 N -5.44 0.11 0.02 0.86 1.02 -1.26 -0.55 120.64 115.40 1jsa n GLU 148 Ca -0.11 0.50 -0.18 0.00 -0.02 0.00 0.00 57.16 57.34 1jsa n GLU 148 Cb 0.33 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.83 1jsa n GLU 148 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jsa h LYS 149 N 0.00 0.22 0.04 3.49 6.56 -1.62 -3.39 116.57 121.87 1jsa h LYS 149 Ca 0.00 -0.38 -0.32 0.00 -1.06 0.00 0.00 60.65 58.89 1jsa h LYS 149 Cb 0.14 0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.90 1jsa h LYS 149 CO 0.00 1.06 -1.81 0.54 -2.06 0.00 0.00 179.45 177.17 1jsa n ARG 150 N -3.40 0.68 -0.39 3.15 1.74 -0.13 -4.05 116.66 114.26 1jsa n ARG 150 Ca -0.25 0.28 0.31 0.00 -0.77 0.00 0.00 57.85 57.42 1jsa n ARG 150 Cb 1.05 -1.76 0.58 0.00 -1.02 0.00 0.00 32.46 31.31 1jsa n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jsa h ALA 151 N 0.68 2.46 0.00 7.54 0.00 -1.02 2.20 119.26 131.12 1jsa h ALA 151 Ca -0.33 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1jsa h ALA 151 Cb 2.02 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1jsa h ALA 151 CO 0.08 -1.03 -0.37 1.05 0.00 0.00 0.00 179.25 178.98 1jsa h GLU 152 N 0.20 0.00 0.55 0.00 4.11 -1.76 -2.08 114.58 115.61 1jsa h GLU 152 Ca 0.74 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 60.15 1jsa h GLU 152 Cb 2.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.38 1jsa h GLU 152 CO -0.42 0.37 -0.27 -0.22 0.07 0.00 0.00 179.01 178.54 1jsa h LYS 153 N 0.00 -0.72 0.47 1.06 3.64 0.35 0.20 116.57 121.56 1jsa h LYS 153 Ca -0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1jsa h LYS 153 Cb 0.84 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1jsa h LYS 153 CO 0.05 -0.45 -0.33 0.82 -2.27 0.00 0.00 179.45 177.26 1jsa h ILE 154 N -1.17 0.00 -1.00 2.00 2.04 -1.47 0.45 117.51 118.35 1jsa h ILE 154 Ca -0.08 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.99 1jsa h ILE 154 Cb 0.60 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 1jsa h ILE 154 CO 0.13 0.00 0.61 -0.25 0.00 0.00 0.00 178.15 178.64 1jsa h TRP 155 N -0.76 1.03 -0.11 1.37 2.91 -1.50 0.51 115.95 119.40 1jsa h TRP 155 Ca -0.06 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 1jsa h TRP 155 Cb 0.62 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 1jsa h TRP 155 CO -0.09 0.18 -0.28 0.78 -1.03 0.00 0.00 178.44 178.01 1jsa h GLY 156 N 0.70 0.23 0.96 2.65 0.00 0.00 -2.79 103.07 104.82 1jsa h GLY 156 Ca 0.60 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1jsa h GLY 156 CO -0.40 0.16 -0.00 0.74 0.00 0.00 0.00 176.54 177.04 1jsa h PHE 157 N 0.19 -0.00 0.23 5.60 0.04 0.47 -3.25 116.94 120.22 1jsa h PHE 157 Ca 0.03 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1jsa h PHE 157 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1jsa h PHE 157 CO 0.01 0.04 -0.12 0.74 -0.60 0.00 0.00 178.31 178.38 1jsa h PHE 158 N -0.04 -0.31 0.00 -0.55 0.04 -1.35 -3.49 116.94 111.23 1jsa h PHE 158 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1jsa h PHE 158 Cb 0.04 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1jsa h PHE 158 CO -0.07 -0.19 0.00 0.41 -0.60 0.00 0.00 178.31 177.87 1jsa n GLY 159 N -1.16 -0.61 6.15 -1.45 0.00 -1.07 -5.14 105.19 101.92 1jsa n GLY 159 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jsa n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jsa n LYS 160 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.62 118.16 117.89 1jsa n LYS 160 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1jsa n LYS 160 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1jsa n LYS 160 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1jsa n LYS 161 N 0.00 0.00 -0.02 1.97 4.81 -1.26 -5.03 118.16 118.63 1jsa n LYS 161 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1jsa n LYS 161 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1jsa n LYS 161 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1jsa n ASP 162 N 0.00 0.47 -3.56 3.14 -0.08 -1.26 -4.65 116.55 110.60 1jsa n ASP 162 Ca 0.00 0.08 -0.41 0.00 -1.51 0.00 0.00 54.79 52.95 1jsa n ASP 162 Cb 0.00 -0.52 -0.00 0.00 2.34 0.00 0.00 41.12 42.93 1jsa n ASP 162 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jsa n ASP 163 N -2.97 7.28 -3.20 1.67 8.00 -1.26 -4.73 116.55 121.34 1jsa n ASP 163 Ca -0.03 -3.06 -0.00 0.00 0.71 0.00 0.00 54.79 52.41 1jsa n ASP 163 Cb 0.12 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 39.78 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1jsa s ASP 164 N 0.77 -0.96 -0.06 -2.24 1.01 -1.26 -5.15 116.67 108.78 1jsa s ASP 164 Ca 0.52 0.17 -0.12 0.00 0.71 0.00 0.00 52.55 53.83 1jsa s ASP 164 Cb 0.16 1.77 -0.05 0.00 1.01 0.00 0.00 42.92 45.81 1jsa s ASP 164 CO -0.07 -0.31 0.29 -0.54 0.21 0.00 0.00 175.17 174.76 1jsa s LYS 165 N 2.74 3.76 0.18 8.23 3.01 -1.26 -4.29 119.74 132.12 1jsa s LYS 165 Ca 0.12 0.17 -0.30 0.00 -1.01 0.00 0.00 55.97 54.95 1jsa s LYS 165 Cb -0.12 -3.23 -0.08 0.00 -1.01 0.00 0.00 37.83 33.40 1jsa s LYS 165 CO -0.25 0.69 1.06 -1.17 0.51 0.00 0.00 175.35 176.18 1jsa s LEU 166 N -0.92 4.51 0.30 3.17 2.96 -0.95 -4.81 118.68 122.93 1jsa s LEU 166 Ca 0.20 2.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 1jsa s LEU 166 Cb -0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1jsa s LEU 166 CO 0.09 -0.14 0.45 -0.89 -1.32 0.00 0.00 176.35 174.54 1jsa s THR 167 N -0.38 5.11 0.21 3.68 2.01 -1.26 -0.69 115.64 124.32 1jsa s THR 167 Ca 0.48 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1jsa s THR 167 Cb -0.28 -3.83 0.17 0.00 0.01 0.00 0.00 72.50 68.57 1jsa s THR 167 CO 0.34 -0.42 1.81 -0.08 -0.69 0.00 0.00 174.62 175.58 1jsa h GLU 168 N 0.96 1.16 0.19 4.92 4.57 -1.96 0.36 114.58 124.78 1jsa h GLU 168 Ca -0.51 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.52 1jsa h GLU 168 Cb 1.23 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 1jsa h GLU 168 CO 0.61 0.89 -0.42 0.87 -1.18 0.00 0.00 179.01 179.77 1jsa h LYS 169 N 1.14 -0.68 -0.02 1.92 1.57 -1.95 -2.55 116.57 116.01 1jsa h LYS 169 Ca 0.28 0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 1jsa h LYS 169 Cb 0.10 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jsa h LYS 169 CO -0.04 -0.45 -0.76 0.93 -0.57 0.00 0.00 179.45 178.56 1jsa h GLU 170 N -0.70 0.14 -1.35 3.15 5.08 -1.95 -3.09 114.58 115.86 1jsa h GLU 170 Ca 0.01 -0.13 0.39 0.00 -1.00 0.00 0.00 59.36 58.63 1jsa h GLU 170 Cb 0.70 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 1jsa h GLU 170 CO -0.20 0.83 0.97 0.35 -1.00 0.00 0.00 179.01 179.96 1jsa h PHE 171 N 0.09 0.02 0.00 4.33 3.57 0.14 1.80 116.94 126.89 1jsa h PHE 171 Ca -0.02 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.24 1jsa h PHE 171 Cb 1.33 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 1jsa h PHE 171 CO 0.02 -0.00 -1.26 0.82 -2.23 0.00 0.00 178.31 175.66 1jsa h ILE 172 N 0.01 1.32 0.09 1.41 2.04 -1.42 -3.34 117.51 117.62 1jsa h ILE 172 Ca 0.65 -3.06 -0.23 0.00 1.00 0.00 0.00 64.86 63.22 1jsa h ILE 172 Cb 2.57 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 41.29 1jsa h ILE 172 CO -0.02 0.75 -1.14 -0.33 0.00 0.00 0.00 178.15 177.41 1jsa h GLU 173 N 0.00 0.20 -1.25 2.37 5.08 0.19 -2.25 114.58 118.93 1jsa h GLU 173 Ca -0.12 -0.34 0.36 0.00 -1.00 0.00 0.00 59.36 58.26 1jsa h GLU 173 Cb 1.84 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 31.17 1jsa h GLU 173 CO 0.11 1.16 1.03 0.78 -1.00 0.00 0.00 179.01 181.09 1jsa h GLY 174 N -0.24 0.00 0.29 -3.84 0.00 0.18 1.23 103.07 100.68 1jsa h GLY 174 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.78 1jsa h GLY 174 CO 0.04 0.00 -2.13 -1.30 0.00 0.00 0.00 176.54 173.15 1jsa n THR 175 N -3.83 1.29 -0.26 4.70 -2.24 -1.24 -3.53 114.28 109.17 1jsa n THR 175 Ca 0.27 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 1jsa n THR 175 Cb 1.42 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 69.16 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsa h LEU 176 N 0.00 0.80 -0.00 3.22 5.85 0.21 -3.02 115.31 122.37 1jsa h LEU 176 Ca -0.41 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1jsa h LEU 176 Cb 2.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1jsa h LEU 176 CO 0.04 0.57 -0.23 0.00 -0.34 0.00 0.00 178.44 178.47 1jsa h ALA 177 N 1.29 0.03 -1.85 1.25 0.00 -1.40 -3.41 119.26 115.17 1jsa h ALA 177 Ca 0.28 -0.46 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 1jsa h ALA 177 Cb -0.06 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.59 1jsa h ALA 177 CO -0.08 0.07 0.36 -0.80 0.00 0.00 0.00 179.25 178.80 1jsa s ASN 178 N -6.30 6.23 0.17 0.00 -0.87 -1.14 -4.86 114.94 108.18 1jsa s ASN 178 Ca -0.16 -0.86 0.26 0.00 -1.57 0.00 0.00 52.86 50.54 1jsa s ASN 178 Cb 0.01 -2.37 0.77 0.00 -0.02 0.00 0.00 41.25 39.64 1jsa s ASN 178 CO 0.74 -1.19 1.71 0.29 -2.57 0.00 0.00 177.10 176.08 1jsa n LYS 179 N 7.03 0.23 0.20 -0.60 5.02 -1.25 -3.18 118.16 125.61 1jsa n LYS 179 Ca -0.04 0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.56 1jsa n LYS 179 Cb 0.46 -1.75 0.48 0.00 -0.02 0.00 0.00 35.03 34.20 1jsa n LYS 179 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1jsa h GLU 180 N 0.00 0.00 0.00 1.97 4.81 -1.90 -2.81 114.58 116.66 1jsa h GLU 180 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jsa h GLU 180 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1jsa h GLU 180 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 179.01 177.39 1jsa n ILE 181 N -2.75 1.04 -0.16 2.32 5.41 -1.19 -2.39 119.36 121.64 1jsa n ILE 181 Ca 0.03 0.35 -0.07 0.00 1.00 0.00 0.00 62.75 64.05 1jsa n ILE 181 Cb 0.36 -1.25 0.08 0.00 -0.71 0.00 0.00 39.64 38.12 1jsa n ILE 181 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1jsa h LEU 182 N 0.00 0.92 -1.56 1.39 5.85 -1.73 -2.51 115.31 117.67 1jsa h LEU 182 Ca 0.00 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1jsa h LEU 182 Cb 0.23 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1jsa h LEU 182 CO 0.00 1.00 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.77 1jsa h ARG 183 N 0.85 0.00 0.00 1.25 2.43 -1.70 -3.12 114.38 114.09 1jsa h ARG 183 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1jsa h ARG 183 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1jsa h ARG 183 CO 0.03 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 1jsa n LEU 184 N -4.00 1.66 -2.03 3.80 4.32 -1.00 -4.14 117.00 115.61 1jsa n LEU 184 Ca -0.02 0.19 -0.04 0.00 -0.02 0.00 0.00 56.01 56.13 1jsa n LEU 184 Cb 0.31 -0.20 -0.05 0.00 -1.62 0.00 0.00 43.42 41.85 1jsa n LEU 184 CO 0.35 -0.20 0.86 2.30 -1.22 0.00 0.00 177.39 179.48 1jsa n ILE 185 N -1.16 1.37 -2.88 -0.08 -5.35 -0.98 -4.74 119.36 105.54 1jsa n ILE 185 Ca 0.00 -0.57 -0.43 0.00 -0.27 0.00 0.00 62.75 61.47 1jsa n ILE 185 Cb 0.00 -1.56 -0.03 0.00 -1.74 0.00 0.00 39.64 36.31 1jsa n ILE 185 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1jsa s GLN 186 N 1.53 3.48 -0.19 6.28 0.74 -1.18 -4.80 119.66 125.52 1jsa s GLN 186 Ca 0.21 -1.49 -0.22 0.00 0.05 0.00 0.00 55.36 53.91 1jsa s GLN 186 Cb 0.10 -4.79 -0.19 0.00 1.10 0.00 0.00 33.01 29.22 1jsa s GLN 186 CO 0.00 -1.82 0.31 0.27 -0.55 0.00 0.00 175.29 173.50 1jsa h PHE 187 N 9.09 0.00 0.00 1.67 -5.15 -1.89 -3.51 116.94 117.15 1jsa h PHE 187 Ca 0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 1jsa h PHE 187 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.20 1jsa h PHE 187 CO 1.13 1.29 0.00 -0.85 -2.00 0.00 0.00 178.31 177.88