#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 -4.51 1.61 0.23 -1.26 -4.82 115.26 106.50 1jsa n ASN 2 Ca 0.00 0.02 -0.54 0.00 -0.53 0.00 0.00 54.58 53.53 1jsa n ASN 2 Cb 0.00 -0.03 -0.08 0.00 -2.08 0.00 0.00 39.78 37.59 1jsa n ASN 2 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jsa n SER 3 N -1.00 2.12 -2.83 0.53 3.41 -1.26 -4.81 113.62 109.79 1jsa n SER 3 Ca 0.00 0.66 -0.39 0.00 -0.26 0.00 0.00 58.87 58.88 1jsa n SER 3 Cb 0.00 -1.19 0.04 0.00 -0.26 0.00 0.00 64.21 62.80 1jsa n SER 3 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1jsa n LYS 4 N 7.24 2.72 -0.82 4.33 2.85 -1.26 -5.02 118.16 128.20 1jsa n LYS 4 Ca 0.38 -3.43 -0.34 0.00 -1.05 0.00 0.00 58.31 53.86 1jsa n LYS 4 Cb 0.17 -2.26 0.11 0.00 -0.65 0.00 0.00 35.03 32.40 1jsa n LYS 4 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1jsa n SER 5 N -0.52 -3.03 0.00 -5.58 7.64 -1.26 -4.62 113.62 106.24 1jsa n SER 5 Ca 0.55 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1jsa n SER 5 Cb 0.30 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 2.31 1.00 0.00 0.23 0.00 -1.26 -4.88 105.19 102.59 1jsa n GLY 6 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N 0.00 0.29 0.00 4.61 0.00 -1.26 -5.10 120.51 119.05 1jsa n ALA 7 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jsa n ALA 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.09 0.00 0.00 0.00 4.77 -1.26 -4.55 117.00 115.88 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 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1jsa n LEU 8 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1jsa n SER 9 N 1.05 0.00 0.16 -1.43 3.41 -1.26 -2.72 113.62 112.82 1jsa n SER 9 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1jsa n SER 9 Cb 0.00 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 64.73 1jsa n SER 9 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jsa h LYS 10 N 0.00 0.00 0.07 4.33 6.56 -1.97 2.36 116.57 127.91 1jsa h LYS 10 Ca 0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 1jsa h LYS 10 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1jsa h LYS 10 CO 0.00 0.00 -1.85 0.39 -2.06 0.00 0.00 179.45 175.93 1jsa n GLU 11 N -3.58 0.70 -0.10 3.15 -0.58 -1.10 -3.90 120.64 115.23 1jsa n GLU 11 Ca 0.05 0.28 -0.22 0.00 -0.42 0.00 0.00 57.16 56.85 1jsa n GLU 11 Cb 0.52 -1.75 -0.12 0.00 -0.57 0.00 0.00 31.44 29.52 1jsa n GLU 11 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1jsa n ILE 12 N -3.28 1.54 -0.39 -3.67 2.08 0.06 -4.01 119.36 111.69 1jsa n ILE 12 Ca -0.24 -0.05 0.34 0.00 0.56 0.00 0.00 62.75 63.36 1jsa n ILE 12 Cb 1.05 -2.03 0.67 0.00 -0.75 0.00 0.00 39.64 38.58 1jsa n ILE 12 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1jsa h LEU 13 N -0.97 0.17 -1.56 1.39 3.38 0.37 1.49 115.31 119.58 1jsa h LEU 13 Ca -0.36 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1jsa h LEU 13 Cb 1.33 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1jsa h LEU 13 CO -0.21 -0.01 0.54 -0.08 0.09 0.00 0.00 178.44 178.77 1jsa h GLU 14 N 0.13 0.00 -0.00 1.13 4.57 -1.68 2.54 114.58 121.26 1jsa h GLU 14 Ca 0.66 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1jsa h GLU 14 Cb 2.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.86 1jsa h GLU 14 CO -0.16 0.00 -0.45 0.39 -1.18 0.00 0.00 179.01 177.61 1jsa n GLU 15 N -2.99 0.38 0.00 1.92 -0.58 0.51 -4.64 120.64 115.24 1jsa n GLU 15 Ca 0.02 -0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1jsa n GLU 15 Cb 0.62 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 -1.10 0.00 -0.03 -4.62 -0.00 0.85 -0.17 117.00 111.93 1jsa n LEU 16 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.21 1jsa n LEU 16 Cb 0.35 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.03 1jsa n LEU 16 CO 0.32 0.00 0.48 1.67 -0.00 0.00 0.00 177.39 179.86 1jsa n GLN 17 N 0.00 0.10 0.00 1.47 -0.06 -1.26 -3.59 117.38 114.05 1jsa n GLN 17 Ca 0.00 -0.06 0.13 0.00 -2.00 0.00 0.00 57.00 55.07 1jsa n GLN 17 Cb 0.00 -1.50 0.63 0.00 -4.06 0.00 0.00 30.24 25.31 1jsa n GLN 17 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1jsa n LEU 18 N -1.40 0.00 -2.69 1.69 7.99 -0.79 -4.40 117.00 117.41 1jsa n LEU 18 Ca 0.06 0.36 -0.05 0.00 -0.01 0.00 0.00 56.01 56.37 1jsa n LEU 18 Cb 0.34 -0.36 0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1jsa n LEU 18 CO 0.34 -0.04 0.52 -3.20 -1.51 0.00 0.00 177.39 173.50 1jsa n ASN 19 N -1.36 -1.68 -1.48 -1.43 2.85 0.75 -5.02 115.26 107.89 1jsa n ASN 19 Ca 0.10 -2.22 0.18 0.00 -0.11 0.00 0.00 54.58 52.54 1jsa n ASN 19 Cb 0.24 1.08 -0.09 0.00 1.24 0.00 0.00 39.78 42.26 1jsa n ASN 19 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1jsa n THR 20 N 1.33 -0.65 -3.39 -0.44 -1.04 -1.24 -4.80 114.28 104.05 1jsa n THR 20 Ca 0.02 0.82 0.02 0.00 -2.04 0.00 0.00 64.05 62.87 1jsa n THR 20 Cb 0.70 -1.32 -0.05 0.00 -1.82 0.00 0.00 70.33 67.84 1jsa n THR 20 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1jsa s LYS 21 N -4.00 0.14 -0.12 -2.82 0.00 -1.25 -4.38 119.74 107.31 1jsa s LYS 21 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 55.97 56.16 1jsa s LYS 21 Cb 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 37.83 37.86 1jsa s LYS 21 CO 0.00 -0.04 0.30 0.35 0.00 0.00 0.00 175.35 175.96 1jsa h PHE 22 N 6.62 0.00 -0.57 1.78 3.04 -1.93 -3.47 116.94 122.41 1jsa h PHE 22 Ca -0.18 0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.88 1jsa h PHE 22 Cb 1.14 0.00 -0.19 0.00 2.56 0.00 0.00 35.95 39.46 1jsa h PHE 22 CO 0.20 0.42 -0.19 0.95 -2.02 0.00 0.00 178.31 177.67 1jsa s THR 23 N -1.85 -0.57 0.64 4.41 -4.23 -1.26 -4.99 115.64 107.79 1jsa s THR 23 Ca -0.09 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1jsa s THR 23 Cb -0.01 -0.43 0.17 0.00 1.34 0.00 0.00 72.50 73.57 1jsa s THR 23 CO 0.29 0.00 1.19 1.05 -0.54 0.00 0.00 174.62 176.61 1jsa h GLU 24 N 7.22 0.00 0.00 3.99 4.11 -1.99 2.68 114.58 130.58 1jsa h GLU 24 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1jsa h GLU 24 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1jsa h GLU 24 CO 0.01 0.00 -1.21 -1.91 0.07 0.00 0.00 179.01 175.97 1jsa n GLU 25 N -2.83 0.61 0.01 1.06 4.07 -1.26 -4.12 120.64 118.19 1jsa n GLU 25 Ca 0.09 0.12 -0.14 0.00 -0.06 0.00 0.00 57.16 57.17 1jsa n GLU 25 Cb 1.15 -1.80 -0.03 0.00 -0.06 0.00 0.00 31.44 30.71 1jsa n GLU 25 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1jsa h GLU 26 N 0.00 0.62 0.00 5.31 4.22 0.43 -3.05 114.58 122.12 1jsa h GLU 26 Ca -0.05 -0.51 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1jsa h GLU 26 Cb 1.18 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1jsa h GLU 26 CO 0.01 1.13 0.36 -0.07 -2.18 0.00 0.00 179.01 178.26 1jsa h LEU 27 N 0.42 0.00 -0.47 1.64 4.07 -1.66 0.55 115.31 119.86 1jsa h LEU 27 Ca -0.04 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 1jsa h LEU 27 Cb 1.36 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1jsa h LEU 27 CO 0.15 0.00 -0.64 0.28 -1.08 0.00 0.00 178.44 177.15 1jsa h SER 28 N 0.00 0.00 0.02 -0.43 0.02 -1.77 -2.99 113.55 108.41 1jsa h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jsa h SER 28 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jsa h SER 28 CO 0.00 0.64 -0.04 -0.24 -1.14 0.00 0.00 176.83 176.05 1jsa n SER 29 N -3.51 1.49 -0.00 3.07 2.88 0.19 -3.97 113.62 113.76 1jsa n SER 29 Ca -0.00 -1.43 -0.15 0.00 -1.33 0.00 0.00 58.87 55.95 1jsa n SER 29 Cb 0.70 0.02 -0.14 0.00 -0.75 0.00 0.00 64.21 64.04 1jsa n SER 29 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1jsa h TRP 30 N 2.28 0.27 -0.62 0.66 2.91 -1.45 -2.94 115.95 117.05 1jsa h TRP 30 Ca 0.00 -0.20 0.11 0.00 1.13 0.00 0.00 58.89 59.93 1jsa h TRP 30 Cb 0.52 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1jsa h TRP 30 CO 0.00 1.42 0.42 -0.92 -1.03 0.00 0.00 178.44 178.33 1jsa h TYR 31 N 0.04 0.43 0.00 2.65 3.20 -1.68 -0.15 116.97 121.45 1jsa h TYR 31 Ca -0.35 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.36 1jsa h TYR 31 Cb 2.03 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 40.13 1jsa h TYR 31 CO 0.04 0.20 -1.04 -0.56 -1.64 0.00 0.00 178.16 175.16 1jsa h GLN 32 N 0.40 0.00 0.00 1.82 3.07 -1.78 -3.28 115.11 115.34 1jsa h GLN 32 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1jsa h GLN 32 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1jsa h GLN 32 CO -0.08 0.74 0.24 1.03 0.09 0.00 0.00 178.83 180.85 1jsa h SER 33 N -1.00 0.00 0.56 0.06 0.87 -1.41 0.66 113.55 113.28 1jsa h SER 33 Ca -0.25 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.02 1jsa h SER 33 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1jsa h SER 33 CO -0.15 0.00 -1.40 0.15 -0.53 0.00 0.00 176.83 174.90 1jsa h PHE 34 N 0.00 0.42 -0.31 2.24 3.04 -1.12 -3.21 116.94 118.00 1jsa h PHE 34 Ca 0.00 -0.31 0.09 0.00 3.98 0.00 0.00 57.97 61.73 1jsa h PHE 34 Cb 0.48 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1jsa h PHE 34 CO 0.00 1.31 0.22 -0.07 -2.02 0.00 0.00 178.31 177.75 1jsa h LEU 35 N 0.06 0.00 -0.09 0.59 3.38 0.28 0.20 115.31 119.73 1jsa h LEU 35 Ca -0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1jsa h LEU 35 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1jsa h LEU 35 CO 0.17 0.00 -0.53 0.11 0.09 0.00 0.00 178.44 178.29 1jsa h LYS 36 N 0.00 0.00 0.00 1.13 1.57 -1.57 -2.88 116.57 114.82 1jsa h LYS 36 Ca 0.15 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 1jsa h LYS 36 Cb 0.59 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1jsa h LYS 36 CO -0.00 0.53 -0.87 0.93 -0.57 0.00 0.00 179.45 179.47 1jsa h GLU 37 N 0.00 0.00 -1.30 3.15 4.39 -0.68 -3.42 114.58 116.72 1jsa h GLU 37 Ca -0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1jsa h GLU 37 Cb 1.37 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.80 1jsa h GLU 37 CO 0.07 0.72 -0.54 0.00 -1.16 0.00 0.00 179.01 178.10 1jsa n PRO 39 N 4.02 0.17 -0.11 0.00 -0.02 -1.09 -2.41 135.00 135.56 1jsa n PRO 39 Ca 0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 1jsa n PRO 39 Cb 0.53 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.82 1jsa n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsa n SER 40 N 0.46 1.74 0.00 2.55 2.88 -1.26 -5.05 113.62 114.93 1jsa n SER 40 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1jsa n SER 40 Cb 0.05 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 1.76 2.07 3.43 0.46 0.00 -1.01 -4.95 105.19 106.95 1jsa n GLY 41 Ca -0.43 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N 0.00 3.09 0.60 1.61 0.52 -1.26 -4.73 118.95 118.79 1jsa s ARG 42 Ca 0.00 -0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 54.09 1jsa s ARG 42 Cb 0.00 -4.24 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 1jsa s ARG 42 CO 0.00 -1.74 1.12 0.42 0.02 0.00 0.00 175.30 175.12 1jsa s ILE 43 N 3.70 3.19 0.34 1.52 1.01 -1.21 -4.82 121.20 124.92 1jsa s ILE 43 Ca 0.19 0.64 0.09 0.00 0.00 0.00 0.00 60.65 61.57 1jsa s ILE 43 Cb -0.19 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 1jsa s ILE 43 CO 0.09 -0.26 -0.09 -0.89 0.00 0.00 0.00 174.94 173.80 1jsa s THR 44 N -2.05 2.14 0.65 2.92 2.01 -1.26 -2.44 115.64 117.61 1jsa s THR 44 Ca 0.70 -2.19 0.38 0.00 0.31 0.00 0.00 61.69 60.89 1jsa s THR 44 Cb -0.22 -2.63 0.40 0.00 0.01 0.00 0.00 72.50 70.06 1jsa s THR 44 CO 0.34 -0.21 2.25 -0.09 -0.69 0.00 0.00 174.62 176.22 1jsa h ARG 45 N 2.05 0.00 0.18 4.92 1.12 -1.97 0.51 114.38 121.20 1jsa h ARG 45 Ca -0.42 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.17 1jsa h ARG 45 Cb 1.25 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 31.24 1jsa h ARG 45 CO 0.70 0.00 -1.21 0.37 -3.11 0.00 0.00 179.97 176.72 1jsa h GLN 46 N 0.00 0.50 0.00 0.20 -0.00 -2.02 -3.34 115.11 110.46 1jsa h GLN 46 Ca 0.01 -0.78 0.00 0.00 -0.00 0.00 0.00 58.65 57.88 1jsa h GLN 46 Cb 0.17 0.28 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1jsa h GLN 46 CO -0.00 1.36 -1.02 -1.91 0.00 0.00 0.00 178.83 177.26 1jsa n GLU 47 N -3.87 0.56 -0.32 1.69 2.13 -0.70 -4.13 120.64 116.00 1jsa n GLU 47 Ca -0.15 0.10 0.15 0.00 0.66 0.00 0.00 57.16 57.92 1jsa n GLU 47 Cb 0.98 -1.78 0.39 0.00 0.27 0.00 0.00 31.44 31.30 1jsa n GLU 47 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1jsa h PHE 48 N 0.00 0.88 0.00 4.31 3.57 -0.13 0.48 116.94 126.05 1jsa h PHE 48 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jsa h PHE 48 Cb 0.96 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1jsa h PHE 48 CO 0.00 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.29 1jsa n GLN 49 N -4.66 0.16 0.09 1.11 10.64 -1.26 -2.94 117.38 120.52 1jsa n GLN 49 Ca 0.22 0.33 -0.15 0.00 -1.83 0.00 0.00 57.00 55.57 1jsa n GLN 49 Cb 0.62 -1.77 -0.10 0.00 -0.86 0.00 0.00 30.24 28.13 1jsa n GLN 49 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1jsa h THR 50 N 0.00 1.45 0.00 -0.39 2.02 -0.26 -3.15 112.91 112.58 1jsa h THR 50 Ca 0.00 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1jsa h THR 50 Cb 0.41 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1jsa h THR 50 CO 0.00 0.82 0.00 0.40 0.37 0.00 0.00 175.52 177.11 1jsa h ILE 51 N 0.15 0.00 0.10 3.11 2.04 -1.48 -3.29 117.51 118.13 1jsa h ILE 51 Ca -0.11 -0.49 -0.15 0.00 1.00 0.00 0.00 64.86 65.11 1jsa h ILE 51 Cb 1.80 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 39.34 1jsa h ILE 51 CO 0.19 0.00 -0.68 0.22 0.00 0.00 0.00 178.15 177.88 1jsa h TYR 52 N 0.00 0.40 -0.20 1.37 3.20 -1.56 -3.27 116.97 116.91 1jsa h TYR 52 Ca 0.00 -0.29 0.06 0.00 3.14 0.00 0.00 58.73 61.64 1jsa h TYR 52 Cb 0.70 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1jsa h TYR 52 CO 0.00 1.26 0.52 0.77 -1.64 0.00 0.00 178.16 179.08 1jsa h SER 53 N -0.53 0.00 0.62 -2.11 0.02 -1.61 0.64 113.55 110.58 1jsa h SER 53 Ca -0.13 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1jsa h SER 53 Cb 1.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 1jsa h SER 53 CO 0.10 0.00 -0.48 0.50 -1.14 0.00 0.00 176.83 175.81 1jsa h LYS 54 N 0.00 0.00 -0.02 3.45 3.64 -1.70 -0.36 116.57 121.58 1jsa h LYS 54 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jsa h LYS 54 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jsa h LYS 54 CO -0.00 0.48 -0.31 1.19 -2.27 0.00 0.00 179.45 178.54 1jsa n PHE 55 N -3.78 0.00 -2.75 1.91 3.72 0.22 -4.56 117.46 112.22 1jsa n PHE 55 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 1jsa n PHE 55 Cb 0.53 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.15 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1jsa n PHE 56 N 0.41 -1.72 0.13 1.38 3.72 -0.85 -4.95 117.46 115.58 1jsa n PHE 56 Ca 0.11 -2.31 0.03 0.00 -0.05 0.00 0.00 57.45 55.23 1jsa n PHE 56 Cb 0.51 1.09 0.39 0.00 -0.94 0.00 0.00 39.48 40.53 1jsa n PHE 56 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jsa h PRO 57 N 2.53 0.22 -0.75 -1.08 0.13 -1.31 -3.18 132.00 128.56 1jsa h PRO 57 Ca -0.16 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.99 1jsa h PRO 57 Cb 1.19 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1jsa h PRO 57 CO 0.13 0.37 -0.55 1.49 -0.23 0.00 0.00 178.00 179.21 1jsa h GLU 58 N 0.21 -0.12 0.00 0.86 4.57 -1.92 -3.43 114.58 114.75 1jsa h GLU 58 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1jsa h GLU 58 Cb 0.38 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1jsa h GLU 58 CO 0.02 -0.08 0.00 0.00 -1.18 0.00 0.00 179.01 177.77 1jsa n ALA 59 N -3.18 0.00 -3.20 2.92 0.00 -1.20 -4.94 120.51 110.91 1jsa n ALA 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1jsa n ALA 59 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 0.72 -0.64 0.00 8.00 -1.20 -4.93 116.55 118.50 1jsa n ASP 60 Ca 0.00 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.65 1jsa n ASP 60 Cb 0.00 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 1.04 0.25 -0.23 -0.24 -0.04 -1.26 -4.11 135.00 130.41 1jsa n PRO 61 Ca 0.23 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1jsa n PRO 61 Cb 0.55 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.74 1jsa n PRO 61 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1jsa h LYS 62 N 0.96 -0.15 0.00 0.54 1.57 -1.91 1.54 116.57 119.12 1jsa h LYS 62 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1jsa h LYS 62 Cb 0.16 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jsa h LYS 62 CO 0.00 -0.10 -0.03 0.00 -0.57 0.00 0.00 179.45 178.75 1jsa h ALA 63 N -0.05 1.80 0.00 3.86 0.00 -1.87 -1.10 119.26 121.90 1jsa h ALA 63 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1jsa h ALA 63 Cb 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jsa h ALA 63 CO -0.62 0.04 -0.46 -0.92 0.00 0.00 0.00 179.25 177.29 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 3.20 0.05 -3.20 116.97 117.01 1jsa h TYR 64 Ca -0.00 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.70 1jsa h TYR 64 Cb 0.06 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1jsa h TYR 64 CO 0.00 0.46 -0.88 0.00 -1.64 0.00 0.00 178.16 176.10 1jsa h ALA 65 N 1.54 0.53 0.00 1.82 0.00 0.31 -3.19 119.26 120.27 1jsa h ALA 65 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1jsa h ALA 65 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jsa h ALA 65 CO 0.06 1.00 -0.01 1.04 0.00 0.00 0.00 179.25 181.34 1jsa n GLN 66 N -3.24 0.10 0.01 0.00 6.02 -0.86 -3.40 117.38 116.01 1jsa n GLN 66 Ca -0.01 0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.95 1jsa n GLN 66 Cb 0.86 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 30.36 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.14 0.00 1.08 3.86 -1.55 -3.30 115.15 115.38 1jsa h HIS 67 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1jsa h HIS 67 Cb 0.59 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1jsa h HIS 67 CO 0.00 1.16 0.00 0.28 0.86 0.00 0.00 177.93 180.23 1jsa n VAL 68 N -3.23 1.18 0.00 2.45 0.31 -1.22 -3.48 118.33 114.34 1jsa n VAL 68 Ca -0.15 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1jsa n VAL 68 Cb 1.03 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.00 3.52 7.35 -1.24 -3.30 117.46 122.30 1jsa n PHE 69 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1jsa n PHE 69 Cb 0.13 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.81 1jsa n PHE 69 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1jsa n ARG 70 N -0.94 0.00 -0.02 -4.13 1.74 -1.25 -0.41 116.66 111.66 1jsa n ARG 70 Ca 0.00 0.21 -0.05 0.00 -0.77 0.00 0.00 57.85 57.24 1jsa n ARG 70 Cb 0.00 -1.74 0.15 0.00 -1.02 0.00 0.00 32.46 29.85 1jsa n ARG 70 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1jsa h SER 71 N 0.00 0.59 0.00 0.55 0.02 -1.58 -3.38 113.55 109.75 1jsa h SER 71 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1jsa h SER 71 Cb 0.48 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1jsa h SER 71 CO 0.00 0.84 0.00 0.33 -1.14 0.00 0.00 176.83 176.86 1jsa n PHE 72 N -4.10 0.00 0.00 3.45 7.35 0.45 -4.59 117.46 120.02 1jsa n PHE 72 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jsa n PHE 72 Cb 0.43 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.27 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jsa n ASP 73 N 0.00 0.00 0.00 -2.13 -0.08 -0.24 -4.78 116.55 109.33 1jsa n ASP 73 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jsa n ASP 73 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jsa n ALA 74 N -3.00 0.00 -0.03 -1.67 0.00 -1.26 -4.56 120.51 109.98 1jsa n ALA 74 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1jsa n ALA 74 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 3.50 0.00 0.00 6.94 -1.26 -4.94 115.26 119.50 1jsa n ASN 75 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1jsa n ASN 75 Cb 0.00 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1jsa n ASN 75 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1jsa n SER 76 N -2.66 0.00 -0.03 0.53 2.88 -1.26 -4.98 113.62 108.10 1jsa n SER 76 Ca -0.12 -0.48 -0.04 0.00 -1.33 0.00 0.00 58.87 56.90 1jsa n SER 76 Cb 0.63 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1jsa n SER 76 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jsa n ASP 77 N 0.00 3.50 0.00 -3.46 8.00 -1.26 -5.02 116.55 118.31 1jsa n ASP 77 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1jsa n ASP 77 Cb 0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jsa n GLY 78 N 3.19 3.14 3.49 0.44 0.00 -1.26 -5.03 105.19 109.16 1jsa n GLY 78 Ca -0.11 0.00 -0.24 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 -2.93 2.55 -0.31 2.61 -4.23 -1.26 -4.63 115.64 107.45 1jsa s THR 79 Ca 0.00 -2.35 -0.29 0.00 -1.18 0.00 0.00 61.69 57.87 1jsa s THR 79 Cb 0.00 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1jsa s THR 79 CO 0.00 -0.38 1.06 -0.76 -0.54 0.00 0.00 174.62 173.99 1jsa s LEU 80 N -3.53 3.95 0.39 4.79 1.43 -1.02 -4.73 118.68 119.96 1jsa s LEU 80 Ca 0.30 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 1jsa s LEU 80 Cb -0.05 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1jsa s LEU 80 CO 0.16 -0.85 0.67 -0.62 0.23 0.00 0.00 176.35 175.94 1jsa s ASP 81 N 1.62 6.36 0.04 2.29 2.15 -1.26 -3.36 116.67 124.51 1jsa s ASP 81 Ca 0.45 0.81 -0.12 0.00 0.43 0.00 0.00 52.55 54.11 1jsa s ASP 81 Cb -0.12 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 40.26 1jsa s ASP 81 CO 0.14 -0.39 1.19 0.15 -0.17 0.00 0.00 175.17 176.10 1jsa h PHE 82 N 0.90 -0.54 -1.85 -5.34 3.04 -1.96 0.67 116.94 111.86 1jsa h PHE 82 Ca -0.48 0.02 0.56 0.00 3.98 0.00 0.00 57.97 62.04 1jsa h PHE 82 Cb 1.20 0.23 -0.09 0.00 2.56 0.00 0.00 35.95 39.85 1jsa h PHE 82 CO 0.57 -0.20 1.31 -0.22 -2.02 0.00 0.00 178.31 177.75 1jsa h LYS 83 N -0.24 0.00 0.15 1.11 3.64 -1.99 0.88 116.57 120.12 1jsa h LYS 83 Ca 0.00 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1jsa h LYS 83 Cb 0.25 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1jsa h LYS 83 CO -0.12 0.00 -1.51 0.93 -2.27 0.00 0.00 179.45 176.48 1jsa h GLU 84 N 0.00 0.32 -0.07 1.90 5.08 -1.33 -3.33 114.58 117.15 1jsa h GLU 84 Ca 0.93 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1jsa h GLU 84 Cb 3.59 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 33.04 1jsa h GLU 84 CO -0.12 1.27 0.06 -0.92 -1.00 0.00 0.00 179.01 178.30 1jsa h TYR 85 N -0.12 0.00 0.00 4.33 3.20 0.66 -2.52 116.97 122.51 1jsa h TYR 85 Ca -0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1jsa h TYR 85 Cb 1.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.18 1jsa h TYR 85 CO 0.12 0.00 0.00 0.28 -1.64 0.00 0.00 178.16 176.92 1jsa n VAL 86 N -4.19 0.00 -0.42 1.81 0.31 -0.32 -0.83 118.33 114.68 1jsa n VAL 86 Ca -0.01 1.16 0.39 0.00 -0.01 0.00 0.00 64.34 65.87 1jsa n VAL 86 Cb 0.17 -2.16 0.76 0.00 -0.91 0.00 0.00 33.84 31.70 1jsa n VAL 86 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1jsa h ILE 87 N 0.00 0.31 0.19 2.52 2.04 -1.68 1.84 117.51 122.73 1jsa h ILE 87 Ca 0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jsa h ILE 87 Cb 0.00 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1jsa h ILE 87 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.06 1jsa h ALA 88 N 1.32 -0.26 0.17 1.87 0.00 -1.35 -2.56 119.26 118.45 1jsa h ALA 88 Ca 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1jsa h ALA 88 Cb 2.63 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1jsa h ALA 88 CO -0.02 -0.36 -0.08 -0.07 0.00 0.00 0.00 179.25 178.71 1jsa h LEU 89 N -0.83 -0.19 -0.94 0.00 -0.00 0.14 -2.82 115.31 110.66 1jsa h LEU 89 Ca -0.03 -0.35 0.27 0.00 -0.00 0.00 0.00 57.88 57.77 1jsa h LEU 89 Cb 0.52 0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 41.06 1jsa h LEU 89 CO 0.04 0.33 0.12 -0.74 -0.00 0.00 0.00 178.44 178.20 1jsa h HIS 90 N -0.81 0.13 -0.55 1.13 2.76 0.25 0.83 115.15 118.89 1jsa h HIS 90 Ca -0.02 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1jsa h HIS 90 Cb 0.53 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 1jsa h HIS 90 CO 0.08 -0.37 0.22 1.98 -1.30 0.00 0.00 177.93 178.53 1jsa h MET 91 N 0.06 0.83 -0.63 5.26 1.85 -1.45 -1.46 114.93 119.40 1jsa h MET 91 Ca 0.60 -0.15 0.18 0.00 -0.61 0.00 0.00 59.70 59.71 1jsa h MET 91 Cb 1.26 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 33.13 1jsa h MET 91 CO -0.82 0.73 0.62 1.15 -0.40 0.00 0.00 176.91 178.18 1jsa h THR 92 N 0.76 0.33 -0.32 -0.77 2.02 0.95 -3.37 112.91 112.52 1jsa h THR 92 Ca 0.18 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.52 1jsa h THR 92 Cb 0.21 0.52 -0.18 0.00 -1.74 0.00 0.00 68.15 66.95 1jsa h THR 92 CO -0.01 0.00 -0.09 -0.94 0.37 0.00 0.00 175.52 174.84 1jsa s SER 93 N -5.02 -0.51 -0.06 4.18 1.04 -0.68 -5.01 113.70 107.65 1jsa s SER 93 Ca -0.04 -0.07 0.12 0.00 0.48 0.00 0.00 55.95 56.44 1jsa s SER 93 Cb 0.16 1.04 0.44 0.00 0.10 0.00 0.00 66.02 67.76 1jsa s SER 93 CO 0.58 -0.08 1.31 0.00 0.98 0.00 0.00 173.24 176.03 1jsa n ALA 94 N 4.57 2.82 -0.10 5.32 0.00 -0.64 -4.74 120.51 127.74 1jsa n ALA 94 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1jsa n ALA 94 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1jsa n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsa n GLY 95 N 0.87 0.28 2.61 0.00 0.00 -1.26 -4.57 105.19 103.13 1jsa n GLY 95 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1jsa n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jsa s LYS 96 N -0.16 0.06 0.14 1.61 2.20 -1.26 -5.11 119.74 117.21 1jsa s LYS 96 Ca 0.00 -0.08 -0.33 0.00 -0.36 0.00 0.00 55.97 55.20 1jsa s LYS 96 Cb 0.00 -1.81 -0.17 0.00 -1.51 0.00 0.00 37.83 34.34 1jsa s LYS 96 CO 0.00 -0.67 0.86 0.25 -0.36 0.00 0.00 175.35 175.43 1jsa n THR 97 N 5.28 1.13 0.00 3.43 -2.24 -1.26 -4.90 114.28 115.72 1jsa n THR 97 Ca -0.07 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jsa n THR 97 Cb 0.49 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.81 0.00 -3.15 3.42 3.02 -1.26 -5.13 115.26 113.97 1jsa n ASN 98 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 1jsa n ASN 98 Cb 0.20 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 1jsa n ASN 98 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jsa s GLN 99 N 1.28 0.12 -0.27 3.52 -1.52 -1.26 -5.13 119.66 116.40 1jsa s GLN 99 Ca 0.00 0.19 -0.05 0.00 -1.95 0.00 0.00 55.36 53.55 1jsa s GLN 99 Cb 0.00 0.10 0.01 0.00 -0.22 0.00 0.00 33.01 32.90 1jsa s GLN 99 CO 0.00 -0.15 0.03 0.15 -0.25 0.00 0.00 175.29 175.07 1jsa s LYS 100 N 2.97 3.09 0.00 2.91 3.01 -1.26 -4.97 119.74 125.49 1jsa s LYS 100 Ca 0.03 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.15 1jsa s LYS 100 Cb -0.08 -3.22 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 1jsa s LYS 100 CO -0.12 -0.38 0.00 1.28 0.51 0.00 0.00 175.35 176.63 1jsa n LEU 101 N 4.81 0.00 -0.32 3.17 4.77 -1.26 -4.81 117.00 123.35 1jsa n LEU 101 Ca -0.16 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.86 1jsa n LEU 101 Cb 0.48 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.68 1jsa n LEU 101 CO 0.30 0.00 0.67 -0.33 -1.33 0.00 0.00 177.39 176.70 1jsa h GLU 102 N 0.00 -0.01 -0.26 3.23 5.08 -1.97 2.18 114.58 122.82 1jsa h GLU 102 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1jsa h GLU 102 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jsa h GLU 102 CO 0.00 -0.00 0.49 -1.49 -1.00 0.00 0.00 179.01 177.00 1jsa h TRP 103 N -0.01 0.00 0.41 4.33 6.55 -1.96 -1.42 115.95 123.85 1jsa h TRP 103 Ca 0.42 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.24 1jsa h TRP 103 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.96 1jsa h TRP 103 CO -0.72 0.00 -0.19 0.00 -1.05 0.00 0.00 178.44 176.48 1jsa h ALA 104 N 1.27 -0.54 -0.05 1.49 0.00 0.33 -2.50 119.26 119.26 1jsa h ALA 104 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jsa h ALA 104 Cb 1.10 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1jsa h ALA 104 CO -0.00 -0.68 0.75 0.35 0.00 0.00 0.00 179.25 179.67 1jsa h PHE 105 N -0.80 0.00 0.00 0.00 3.04 -1.28 0.40 116.94 118.30 1jsa h PHE 105 Ca -0.06 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1jsa h PHE 105 Cb 0.54 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1jsa h PHE 105 CO 0.01 0.00 -0.08 0.66 -2.02 0.00 0.00 178.31 176.88 1jsa h SER 106 N 0.00 0.06 0.14 0.41 4.64 -1.52 -2.25 113.55 115.03 1jsa h SER 106 Ca 0.02 -0.83 -0.11 0.00 -0.47 0.00 0.00 61.79 60.40 1jsa h SER 106 Cb 1.52 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.58 1jsa h SER 106 CO -0.00 0.89 -0.37 0.25 -0.87 0.00 0.00 176.83 176.72 1jsa h LEU 107 N -0.76 0.33 -0.88 5.97 7.12 -0.26 -2.71 115.31 124.13 1jsa h LEU 107 Ca -0.01 -0.13 -0.12 0.00 0.13 0.00 0.00 57.88 57.75 1jsa h LEU 107 Cb 0.90 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 1jsa h LEU 107 CO 0.01 0.68 -0.46 1.88 -0.13 0.00 0.00 178.44 180.42 1jsa h TYR 108 N 0.27 0.26 -1.46 1.25 -1.99 -1.21 -3.25 116.97 110.85 1jsa h TYR 108 Ca 0.03 -0.08 -0.76 0.00 2.00 0.00 0.00 58.73 59.92 1jsa h TYR 108 Cb 0.78 -0.05 -0.16 0.00 2.00 0.00 0.00 36.73 39.30 1jsa h TYR 108 CO 0.02 0.64 2.04 -3.47 -0.00 0.00 0.00 178.16 177.39 1jsa n ASP 109 N -3.98 7.55 -0.39 3.88 2.03 -0.85 -4.63 116.55 120.15 1jsa n ASP 109 Ca -0.02 -3.26 0.33 0.00 0.52 0.00 0.00 54.79 52.36 1jsa n ASP 109 Cb 0.51 -1.33 0.60 0.00 -0.72 0.00 0.00 41.12 40.18 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 2.67 0.15 0.69 5.18 2.07 -1.70 0.19 116.25 125.50 1jsa h VAL 110 Ca 0.62 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 68.06 1jsa h VAL 110 Cb 0.35 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1jsa h VAL 110 CO 1.43 0.02 -0.33 -0.78 0.02 0.00 0.00 177.57 177.93 1jsa h ASP 111 N 0.13 -0.78 -0.67 0.57 3.58 -1.91 -3.46 116.42 113.88 1jsa h ASP 111 Ca 0.80 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.26 1jsa h ASP 111 Cb 2.29 0.20 0.00 0.00 1.72 0.00 0.00 39.33 43.54 1jsa h ASP 111 CO -0.51 -0.53 0.00 0.61 -2.88 0.00 0.00 179.24 175.92 1jsa n GLY 112 N -1.36 0.43 0.70 -0.78 0.00 0.65 -5.06 105.19 99.78 1jsa n GLY 112 Ca -0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.14 -0.20 -1.27 1.61 6.94 -1.26 -4.97 115.26 115.97 1jsa n ASN 113 Ca 0.00 -1.48 -0.16 0.00 -0.02 0.00 0.00 54.58 52.92 1jsa n ASN 113 Cb 0.02 0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.04 1.54 3.23 4.83 0.00 -1.26 -4.92 105.19 108.64 1jsa n GLY 114 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 -0.18 0.36 2.61 -4.23 -1.26 -4.01 115.64 106.57 1jsa s THR 115 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 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 0.05 0.62 -0.63 -0.54 0.00 0.00 174.62 174.12 1jsa s ILE 116 N 1.71 5.01 0.09 2.99 1.01 0.90 -4.86 121.20 128.05 1jsa s ILE 116 Ca -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1jsa s ILE 116 Cb -0.10 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1jsa s ILE 116 CO -0.12 -0.54 0.20 -0.94 0.00 0.00 0.00 174.94 173.54 1jsa s SER 117 N -3.69 0.09 0.37 3.58 1.04 -1.26 -2.27 113.70 111.57 1jsa s SER 117 Ca 0.44 -0.62 0.17 0.00 0.48 0.00 0.00 55.95 56.42 1jsa s SER 117 Cb -0.10 0.34 1.11 0.00 0.10 0.00 0.00 66.02 67.47 1jsa s SER 117 CO 0.36 -0.73 1.70 0.50 0.98 0.00 0.00 173.24 176.05 1jsa h LYS 118 N 2.76 0.35 0.09 4.02 3.64 -1.94 0.15 116.57 125.64 1jsa h LYS 118 Ca -0.34 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1jsa h LYS 118 Cb 1.20 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1jsa h LYS 118 CO 0.55 0.23 -0.04 -0.97 -2.27 0.00 0.00 179.45 176.95 1jsa h ASN 119 N 0.36 -0.10 0.35 4.20 -0.73 -1.99 -1.37 115.58 116.29 1jsa h ASN 119 Ca 0.69 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.75 1jsa h ASN 119 Cb 1.69 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 40.29 1jsa h ASN 119 CO -0.47 0.04 -0.30 -0.33 -0.37 0.00 0.00 177.43 176.01 1jsa h GLU 120 N -0.24 -0.63 -0.92 6.67 5.08 -1.11 -1.77 114.58 121.67 1jsa h GLU 120 Ca -0.01 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 1jsa h GLU 120 Cb 0.20 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 1jsa h GLU 120 CO 0.02 -0.42 0.61 0.28 -1.00 0.00 0.00 179.01 178.50 1jsa h VAL 121 N -0.65 0.65 0.00 3.13 2.07 -1.20 0.45 116.25 120.69 1jsa h VAL 121 Ca -0.02 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1jsa h VAL 121 Cb 0.58 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1jsa h VAL 121 CO -0.03 0.06 -0.10 -0.07 0.02 0.00 0.00 177.57 177.46 1jsa h LEU 122 N 0.35 0.00 0.03 2.57 3.38 -0.33 -2.25 115.31 119.06 1jsa h LEU 122 Ca 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 1jsa h LEU 122 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1jsa h LEU 122 CO -0.17 0.10 -0.19 -0.33 0.09 0.00 0.00 178.44 177.95 1jsa h GLU 123 N 0.00 0.07 -0.02 1.13 4.39 0.08 -2.48 114.58 117.75 1jsa h GLU 123 Ca -0.00 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1jsa h GLU 123 Cb 0.22 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1jsa h GLU 123 CO 0.01 1.05 -0.23 0.82 -1.16 0.00 0.00 179.01 179.50 1jsa h ILE 124 N -0.84 0.46 0.62 3.13 1.08 -1.29 0.13 117.51 120.80 1jsa h ILE 124 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1jsa h ILE 124 Cb 1.14 0.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1jsa h ILE 124 CO 0.04 0.00 -0.30 0.58 -0.69 0.00 0.00 178.15 177.78 1jsa h VAL 125 N -0.35 0.38 -0.70 1.67 2.07 -1.55 -2.30 116.25 115.45 1jsa h VAL 125 Ca 0.07 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.69 1jsa h VAL 125 Cb 0.44 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.49 1jsa h VAL 125 CO -0.22 0.01 0.04 0.74 0.02 0.00 0.00 177.57 178.16 1jsa h THR 126 N -0.87 0.43 0.18 2.57 2.02 -1.26 -1.12 112.91 114.84 1jsa h THR 126 Ca -0.09 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jsa h THR 126 Cb 0.65 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1jsa h THR 126 CO 0.14 0.03 -0.46 0.00 0.37 0.00 0.00 175.52 175.60 1jsa h ALA 127 N 1.64 -0.86 -0.84 6.16 0.00 -0.50 -1.14 119.26 123.71 1jsa h ALA 127 Ca 0.38 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.41 1jsa h ALA 127 Cb 0.66 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 1jsa h ALA 127 CO -0.59 -1.05 0.17 0.82 0.00 0.00 0.00 179.25 178.60 1jsa h ILE 128 N -0.73 0.33 -0.85 0.00 2.04 -0.67 0.77 117.51 118.40 1jsa h ILE 128 Ca 0.00 -0.06 0.21 0.00 1.00 0.00 0.00 64.86 66.01 1jsa h ILE 128 Cb 0.73 0.13 -0.12 0.00 -0.74 0.00 0.00 36.82 36.82 1jsa h ILE 128 CO -0.23 0.03 0.31 0.15 0.00 0.00 0.00 178.15 178.41 1jsa h PHE 129 N 0.18 0.49 -0.69 1.37 3.57 -0.40 1.55 116.94 123.02 1jsa h PHE 129 Ca 0.51 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.10 1jsa h PHE 129 Cb 0.98 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1jsa h PHE 129 CO -0.31 -0.09 0.46 0.87 -2.23 0.00 0.00 178.31 177.00 1jsa h LYS 130 N 0.33 0.75 0.00 1.11 1.57 0.86 0.65 116.57 121.83 1jsa h LYS 130 Ca 0.52 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1jsa h LYS 130 Cb 0.98 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1jsa h LYS 130 CO -0.55 0.49 0.00 -0.12 -0.57 0.00 0.00 179.45 178.70 1jsa n MET 131 N -4.47 0.16 -3.37 3.15 1.56 0.52 -3.24 117.12 111.44 1jsa n MET 131 Ca 0.09 0.48 -0.46 0.00 -0.27 0.00 0.00 57.70 57.54 1jsa n MET 131 Cb 0.18 -1.87 -0.03 0.00 2.15 0.00 0.00 33.22 33.64 1jsa n MET 131 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1jsa s ILE 132 N -3.36 5.35 0.64 1.12 1.01 0.23 -4.50 121.20 121.68 1jsa s ILE 132 Ca 0.02 -2.36 -0.17 0.00 0.00 0.00 0.00 60.65 58.14 1jsa s ILE 132 Cb 0.08 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1jsa s ILE 132 CO 0.32 -0.99 1.21 -0.94 0.00 0.00 0.00 174.94 174.54 1jsa s SER 133 N 2.25 4.86 0.26 3.58 1.04 -1.26 -4.60 113.70 119.84 1jsa s SER 133 Ca 0.15 2.37 -0.01 0.00 0.48 0.00 0.00 55.95 58.94 1jsa s SER 133 Cb -0.14 -2.59 0.55 0.00 0.10 0.00 0.00 66.02 63.93 1jsa s SER 133 CO -0.06 -1.82 1.75 -0.65 0.98 0.00 0.00 173.24 173.44 1jsa h PRO 134 N 0.46 0.56 -0.64 4.02 0.11 -1.94 0.57 132.00 135.14 1jsa h PRO 134 Ca -0.49 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.77 1jsa h PRO 134 Cb 1.30 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1jsa h PRO 134 CO 0.53 0.37 0.56 1.49 -0.21 0.00 0.00 178.00 180.74 1jsa h GLU 135 N 0.58 0.00 0.00 1.05 4.81 -2.02 -0.37 114.58 118.63 1jsa h GLU 135 Ca 0.47 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.33 1jsa h GLU 135 Cb 0.70 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 1jsa h GLU 135 CO -0.39 0.00 -2.32 -3.47 -0.73 0.00 0.00 179.01 172.11 1jsa n ASP 136 N -3.95 0.59 0.00 1.04 -0.08 0.16 -4.20 116.55 110.10 1jsa n ASP 136 Ca 0.13 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1jsa n ASP 136 Cb 0.80 0.52 0.00 0.00 2.34 0.00 0.00 41.12 44.78 1jsa n ASP 136 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1jsa n THR 137 N -2.92 0.83 1.88 5.18 -1.04 0.84 0.60 114.28 119.66 1jsa n THR 137 Ca -0.34 0.49 0.05 0.00 -2.04 0.00 0.00 64.05 62.22 1jsa n THR 137 Cb 1.11 -1.49 0.27 0.00 -1.82 0.00 0.00 70.33 68.39 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 -1.20 1.09 -0.08 -2.82 4.76 -1.20 -3.44 118.16 115.27 1jsa n LYS 138 Ca 0.00 -0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 1jsa n LYS 138 Cb 0.29 -1.16 -0.10 0.00 -1.84 0.00 0.00 35.03 32.21 1jsa n LYS 138 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jsa n HIS 139 N -0.51 0.00 -2.84 2.13 8.25 0.20 -4.98 115.22 117.46 1jsa n HIS 139 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 1jsa n HIS 139 Cb 0.07 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.38 1jsa n HIS 139 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1jsa s LEU 140 N -5.51 4.12 0.96 2.41 0.05 -1.22 -5.03 118.68 114.46 1jsa s LEU 140 Ca -0.15 1.70 -0.11 0.00 0.05 0.00 0.00 54.13 55.62 1jsa s LEU 140 Cb 0.05 -4.26 0.16 0.00 -2.05 0.00 0.00 46.19 40.09 1jsa s LEU 140 CO 0.53 -0.22 1.09 -0.81 -0.55 0.00 0.00 176.35 176.39 1jsa n PRO 141 N -0.11 -0.75 0.00 1.48 -0.04 -1.26 -4.91 135.00 129.41 1jsa n PRO 141 Ca 0.04 -0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.48 1jsa n PRO 141 Cb 0.52 -2.32 0.51 0.00 -0.04 0.00 0.00 33.50 32.17 1jsa n PRO 141 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jsa n GLU 142 N -4.23 1.36 0.05 0.54 -0.58 -1.26 -3.71 120.64 112.80 1jsa n GLU 142 Ca 0.10 -0.75 0.12 0.00 -0.42 0.00 0.00 57.16 56.21 1jsa n GLU 142 Cb 0.52 -1.48 0.48 0.00 -0.57 0.00 0.00 31.44 30.39 1jsa n GLU 142 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1jsa n ASP 143 N -0.17 0.37 -2.99 1.62 9.92 -1.26 -4.01 116.55 120.03 1jsa n ASP 143 Ca 0.17 0.55 -0.15 0.00 -0.53 0.00 0.00 54.79 54.83 1jsa n ASP 143 Cb 0.34 -0.64 0.01 0.00 -0.64 0.00 0.00 41.12 40.18 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jsa n GLU 144 N -1.86 0.91 -0.91 -1.24 1.02 -1.24 -4.94 120.64 112.38 1jsa n GLU 144 Ca 0.05 -2.68 0.04 0.00 -0.02 0.00 0.00 57.16 54.56 1jsa n GLU 144 Cb 0.32 -1.38 0.38 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 0.71 5.48 -3.94 1.62 6.94 -1.26 -4.83 115.26 119.97 1jsa n ASN 145 Ca 0.16 -2.97 -0.10 0.00 -0.02 0.00 0.00 54.58 51.66 1jsa n ASN 145 Cb 0.64 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.77 0.10 0.06 5.53 -4.23 -1.26 -5.04 115.64 108.04 1jsa s THR 146 Ca 0.53 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1jsa s THR 146 Cb 0.41 -0.33 -0.15 0.00 1.34 0.00 0.00 72.50 73.77 1jsa s THR 146 CO 0.15 -0.46 1.46 -0.65 -0.54 0.00 0.00 174.62 174.58 1jsa h PRO 147 N 4.51 -0.88 -0.09 3.99 0.10 -1.93 -0.81 132.00 136.89 1jsa h PRO 147 Ca -0.32 0.06 0.03 0.00 0.10 0.00 0.00 66.00 65.87 1jsa h PRO 147 Cb 1.20 0.20 -0.00 0.00 0.10 0.00 0.00 31.00 32.50 1jsa h PRO 147 CO 0.41 -0.59 0.33 1.05 0.10 0.00 0.00 178.00 179.30 1jsa h GLU 148 N -0.91 0.00 -0.04 1.05 4.11 -1.96 1.04 114.58 117.86 1jsa h GLU 148 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1jsa h GLU 148 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jsa h GLU 148 CO 0.01 0.00 -0.11 -0.22 0.07 0.00 0.00 179.01 178.75 1jsa h LYS 149 N 0.00 0.15 0.03 1.06 3.64 -1.57 -3.30 116.57 116.58 1jsa h LYS 149 Ca 0.04 -0.11 -0.28 0.00 -1.27 0.00 0.00 60.65 59.03 1jsa h LYS 149 Cb 0.69 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1jsa h LYS 149 CO -0.00 0.72 -1.56 -0.09 -2.27 0.00 0.00 179.45 176.25 1jsa h ARG 150 N -0.39 0.07 0.00 1.90 2.43 -0.45 -3.27 114.38 114.66 1jsa h ARG 150 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1jsa h ARG 150 Cb 0.72 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1jsa h ARG 150 CO 0.02 0.77 0.59 0.00 -1.51 0.00 0.00 179.97 179.84 1jsa h ALA 151 N 0.83 1.56 0.01 2.80 0.00 0.94 2.56 119.26 127.96 1jsa h ALA 151 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1jsa h ALA 151 Cb 1.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 1jsa h ALA 151 CO 0.11 -0.56 -1.13 1.49 0.00 0.00 0.00 179.25 179.15 1jsa h GLU 152 N 0.00 0.02 -0.19 0.00 4.81 -1.64 -1.88 114.58 115.70 1jsa h GLU 152 Ca 0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1jsa h GLU 152 Cb 1.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1jsa h GLU 152 CO 0.00 0.93 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.91 1jsa h LYS 153 N 0.01 0.40 0.39 1.92 1.63 0.43 0.38 116.57 121.73 1jsa h LYS 153 Ca -0.06 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1jsa h LYS 153 Cb 1.82 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.44 1jsa h LYS 153 CO 0.13 0.69 -0.19 0.82 -3.45 0.00 0.00 179.45 177.45 1jsa h ILE 154 N 0.10 0.05 -0.61 2.00 2.04 -1.56 -0.14 117.51 119.39 1jsa h ILE 154 Ca 0.04 -0.63 0.10 0.00 1.00 0.00 0.00 64.86 65.38 1jsa h ILE 154 Cb 0.56 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1jsa h ILE 154 CO 0.03 0.01 0.41 -0.25 0.00 0.00 0.00 178.15 178.35 1jsa h TRP 155 N -1.13 0.43 0.00 1.37 2.91 -1.44 0.17 115.95 118.26 1jsa h TRP 155 Ca -0.05 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.90 1jsa h TRP 155 Cb 0.42 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1jsa h TRP 155 CO 0.00 0.20 -0.37 0.78 -1.03 0.00 0.00 178.44 178.03 1jsa h GLY 156 N 0.40 0.00 0.79 2.65 0.00 -0.24 -2.90 103.07 103.77 1jsa h GLY 156 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1jsa h GLY 156 CO -0.08 0.00 0.48 -2.75 0.00 0.00 0.00 176.54 174.20 1jsa h PHE 157 N 0.00 0.90 0.16 5.60 3.04 0.13 -2.56 116.94 124.20 1jsa h PHE 157 Ca -0.00 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.68 1jsa h PHE 157 Cb 1.17 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 39.40 1jsa h PHE 157 CO 0.00 0.48 -1.33 0.74 -2.02 0.00 0.00 178.31 176.18 1jsa h PHE 158 N 0.91 0.61 -0.76 0.41 0.04 -1.56 -3.49 116.94 113.11 1jsa h PHE 158 Ca 0.33 -0.45 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1jsa h PHE 158 Cb 0.10 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1jsa h PHE 158 CO -0.04 1.36 0.00 0.41 -0.60 0.00 0.00 178.31 179.44 1jsa n GLY 159 N 1.59 0.55 2.83 -1.45 0.00 -0.97 -5.11 105.19 102.64 1jsa n GLY 159 Ca -0.11 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1jsa n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsa s LYS 160 N -2.25 1.01 0.94 1.61 -0.14 -1.22 -5.07 119.74 114.61 1jsa s LYS 160 Ca 0.00 -0.11 -0.16 0.00 -1.36 0.00 0.00 55.97 54.34 1jsa s LYS 160 Cb 0.00 -1.36 0.22 0.00 -1.68 0.00 0.00 37.83 35.01 1jsa s LYS 160 CO 0.00 -0.32 1.17 1.63 -0.76 0.00 0.00 175.35 177.06 1jsa n LYS 161 N 5.05 -1.54 0.00 1.68 4.01 -1.26 -4.80 118.16 121.30 1jsa n LYS 161 Ca -0.10 -1.82 0.00 0.00 -0.51 0.00 0.00 58.31 55.89 1jsa n LYS 161 Cb 0.50 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 1jsa n LYS 161 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1jsa n ASP 162 N -3.97 0.00 -3.33 4.39 5.75 -1.26 -2.47 116.55 115.67 1jsa n ASP 162 Ca 0.15 0.14 -0.26 0.00 -0.01 0.00 0.00 54.79 54.81 1jsa n ASP 162 Cb 0.53 -0.14 -0.08 0.00 -1.03 0.00 0.00 41.12 40.40 1jsa n ASP 162 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1jsa n ASP 163 N -1.02 0.58 -3.15 -1.12 2.03 -1.26 -5.01 116.55 107.60 1jsa n ASP 163 Ca 0.00 -2.72 0.05 0.00 0.52 0.00 0.00 54.79 52.64 1jsa n ASP 163 Cb 0.10 -0.62 -0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1jsa s ASP 164 N -0.97 -0.80 0.20 1.67 1.01 -1.03 -5.09 116.67 111.66 1jsa s ASP 164 Ca 0.34 0.17 -0.14 0.00 0.71 0.00 0.00 52.55 53.63 1jsa s ASP 164 Cb 0.11 1.54 -0.07 0.00 1.01 0.00 0.00 42.92 45.51 1jsa s ASP 164 CO -0.13 -0.15 0.60 -0.54 0.21 0.00 0.00 175.17 175.17 1jsa s LYS 165 N 2.92 4.00 -0.13 8.23 3.01 -1.26 -4.69 119.74 131.81 1jsa s LYS 165 Ca 0.18 0.54 -0.06 0.00 -1.01 0.00 0.00 55.97 55.62 1jsa s LYS 165 Cb -0.06 -2.81 -0.04 0.00 -1.01 0.00 0.00 37.83 33.91 1jsa s LYS 165 CO -0.22 0.39 0.09 -1.17 0.51 0.00 0.00 175.35 174.95 1jsa s LEU 166 N -2.25 4.04 0.28 3.17 2.96 -0.96 -4.86 118.68 121.07 1jsa s LEU 166 Ca 0.42 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 1jsa s LEU 166 Cb -0.14 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1jsa s LEU 166 CO 0.20 0.34 0.44 -0.89 -1.32 0.00 0.00 176.35 175.11 1jsa s THR 167 N -0.60 5.19 0.29 3.68 2.01 -1.26 -0.07 115.64 124.89 1jsa s THR 167 Ca 0.12 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.44 1jsa s THR 167 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1jsa s THR 167 CO 0.02 -0.42 1.69 1.05 -0.69 0.00 0.00 174.62 176.28 1jsa h GLU 168 N 1.04 0.22 -0.63 4.92 4.11 -1.97 -1.19 114.58 121.08 1jsa h GLU 168 Ca -0.51 -0.11 0.12 0.00 0.07 0.00 0.00 59.36 58.93 1jsa h GLU 168 Cb 1.22 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 1jsa h GLU 168 CO 0.61 0.61 0.13 -0.22 0.07 0.00 0.00 179.01 180.22 1jsa h LYS 169 N 0.19 0.25 0.00 1.06 3.64 -1.94 -1.89 116.57 117.87 1jsa h LYS 169 Ca 0.02 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1jsa h LYS 169 Cb 0.83 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 1jsa h LYS 169 CO 0.07 0.16 -1.39 0.93 -2.27 0.00 0.00 179.45 176.94 1jsa h GLU 170 N 0.25 0.00 -0.50 1.90 4.39 -1.95 -3.30 114.58 115.37 1jsa h GLU 170 Ca 0.33 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.18 1jsa h GLU 170 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1jsa h GLU 170 CO -0.43 0.60 0.63 0.35 -1.16 0.00 0.00 179.01 178.99 1jsa h PHE 171 N 0.00 0.00 0.00 4.33 3.04 -0.39 1.21 116.94 125.14 1jsa h PHE 171 Ca -0.17 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.56 1jsa h PHE 171 Cb 1.84 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.32 1jsa h PHE 171 CO 0.00 0.00 -1.37 0.82 -2.02 0.00 0.00 178.31 175.74 1jsa h ILE 172 N 0.00 0.84 0.06 1.41 2.04 -1.58 -3.36 117.51 116.92 1jsa h ILE 172 Ca 0.24 -2.49 -0.15 0.00 1.00 0.00 0.00 64.86 63.45 1jsa h ILE 172 Cb 1.49 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1jsa h ILE 172 CO -0.00 0.48 -0.76 -0.33 0.00 0.00 0.00 178.15 177.53 1jsa h GLU 173 N 0.00 0.12 -1.55 2.37 5.08 0.11 -2.33 114.58 118.37 1jsa h GLU 173 Ca -0.17 -0.20 0.45 0.00 -1.00 0.00 0.00 59.36 58.44 1jsa h GLU 173 Cb 1.75 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 31.00 1jsa h GLU 173 CO 0.07 1.10 1.10 0.78 -1.00 0.00 0.00 179.01 181.05 1jsa h GLY 174 N -0.62 0.25 0.70 -3.84 0.00 -0.30 1.35 103.07 100.61 1jsa h GLY 174 Ca -0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 47.33 46.86 1jsa h GLY 174 CO -0.00 -0.07 -1.81 -0.37 0.00 0.00 0.00 176.54 174.29 1jsa n THR 175 N -4.17 1.39 -0.09 4.70 5.66 -1.24 -2.63 114.28 117.89 1jsa n THR 175 Ca 0.36 -0.77 0.10 0.00 -3.05 0.00 0.00 64.05 60.68 1jsa n THR 175 Cb 1.60 -0.78 0.46 0.00 -1.55 0.00 0.00 70.33 70.06 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1jsa h LEU 176 N 0.00 0.44 0.06 1.09 5.85 0.24 -2.78 115.31 120.20 1jsa h LEU 176 Ca -0.31 0.01 -0.37 0.00 0.84 0.00 0.00 57.88 58.05 1jsa h LEU 176 Cb 1.92 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.82 1jsa h LEU 176 CO 0.06 0.27 -2.19 0.00 -0.34 0.00 0.00 178.44 176.24 1jsa n ALA 177 N -2.50 1.17 -2.75 1.25 0.00 -0.76 -4.54 120.51 112.38 1jsa n ALA 177 Ca 0.09 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 1jsa n ALA 177 Cb 0.31 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.33 1jsa n ALA 177 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jsa n ASN 178 N -3.33 5.85 0.00 0.00 5.03 -1.06 -4.78 115.26 116.97 1jsa n ASN 178 Ca -0.37 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 51.81 1jsa n ASN 178 Cb 1.03 -1.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 1jsa n ASN 178 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jsa n LYS 179 N 2.45 0.00 0.00 3.52 5.02 -1.16 0.11 118.16 128.10 1jsa n LYS 179 Ca 0.32 0.26 0.15 0.00 -2.02 0.00 0.00 58.31 57.02 1jsa n LYS 179 Cb 0.35 -1.72 0.78 0.00 -0.02 0.00 0.00 35.03 34.41 1jsa n LYS 179 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jsa n GLU 180 N -1.25 0.96 0.13 1.97 -0.58 -1.26 -3.28 120.64 117.33 1jsa n GLU 180 Ca 0.00 -0.21 0.12 0.00 -0.42 0.00 0.00 57.16 56.65 1jsa n GLU 180 Cb 0.22 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.71 1jsa n GLU 180 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1jsa h ILE 181 N 0.52 0.00 -0.43 -3.67 2.04 0.45 -3.29 117.51 113.13 1jsa h ILE 181 Ca 0.00 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 64.86 1jsa h ILE 181 Cb 0.20 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1jsa h ILE 181 CO 0.00 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.88 1jsa h LEU 182 N 0.00 0.86 -0.89 1.44 3.38 -1.73 -2.40 115.31 115.97 1jsa h LEU 182 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jsa h LEU 182 Cb 0.94 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jsa h LEU 182 CO 0.00 1.04 0.00 -2.11 0.09 0.00 0.00 178.44 177.46 1jsa n ARG 183 N -4.12 1.59 0.00 1.13 1.85 -1.25 -3.87 116.66 111.99 1jsa n ARG 183 Ca 0.00 -0.88 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 1jsa n ARG 183 Cb 0.43 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 1jsa n ARG 183 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1jsa n LEU 184 N 0.11 1.21 -0.24 2.89 -0.00 -0.91 -4.51 117.00 115.55 1jsa n LEU 184 Ca 0.16 0.08 0.04 0.00 -0.00 0.00 0.00 56.01 56.29 1jsa n LEU 184 Cb 0.28 -0.14 0.16 0.00 -0.00 0.00 0.00 43.42 43.71 1jsa n LEU 184 CO 0.12 -0.14 0.87 0.16 -0.00 0.00 0.00 177.39 178.40 1jsa h ILE 185 N 0.00 0.45 -5.73 1.96 3.07 -1.76 -3.47 117.51 112.03 1jsa h ILE 185 Ca 0.00 -0.06 -0.03 0.00 1.55 0.00 0.00 64.86 66.32 1jsa h ILE 185 Cb 0.00 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 36.81 1jsa h ILE 185 CO 0.00 0.03 -0.97 0.00 -1.05 0.00 0.00 178.15 176.16 1jsa n GLN 186 N -5.25 -2.06 0.00 0.16 6.02 -1.25 -4.95 117.38 110.05 1jsa n GLN 186 Ca 0.13 1.86 0.00 0.00 -0.01 0.00 0.00 57.00 58.98 1jsa n GLN 186 Cb 0.44 -3.49 0.00 0.00 1.02 0.00 0.00 30.24 28.21 1jsa n GLN 186 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1jsa n PHE 187 N 0.76 0.00 1.53 1.08 -1.74 -1.26 -5.13 117.46 112.70 1jsa n PHE 187 Ca 0.00 -0.22 0.14 0.00 -0.56 0.00 0.00 57.45 56.82 1jsa n PHE 187 Cb 0.29 -0.02 0.55 0.00 1.52 0.00 0.00 39.48 41.82 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59