#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4n n ALA 2 N 0.00 2.92 -2.31 -5.12 0.00 -1.26 -4.94 120.51 109.80 1j4n n ALA 2 Ca 0.00 -3.66 -0.17 0.00 0.00 0.00 0.00 53.44 49.61 1j4n n ALA 2 Cb 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1j4n n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j4n s SER 3 N -2.81 1.21 0.00 0.00 1.04 -1.26 -4.97 113.70 106.91 1j4n s SER 3 Ca 0.40 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1j4n s SER 3 Cb 0.36 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1j4n s SER 3 CO -0.08 -0.81 0.00 -0.62 0.98 0.00 0.00 173.24 172.71 1j4n n GLU 4 N -0.49 0.00 0.00 4.02 1.02 -1.26 -0.94 120.64 122.99 1j4n n GLU 4 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1j4n n GLU 4 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1j4n n GLU 4 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1j4n n PHE 5 N 13.91 0.00 0.30 -0.32 1.16 -1.26 -2.99 117.46 128.26 1j4n n PHE 5 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.67 1j4n n PHE 5 Cb 0.00 -0.00 0.43 0.00 -1.61 0.00 0.00 39.48 38.30 1j4n n PHE 5 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1j4n n LYS 6 N -0.49 0.12 -0.06 3.97 0.00 -0.11 -0.60 118.16 121.00 1j4n n LYS 6 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 58.31 58.69 1j4n n LYS 6 Cb 0.01 -1.79 -0.08 0.00 0.00 0.00 0.00 35.03 33.16 1j4n n LYS 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1j4n h LYS 7 N 0.00 0.00 -0.01 1.64 6.56 -1.65 -3.27 116.57 119.84 1j4n h LYS 7 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1j4n h LYS 7 Cb 0.20 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1j4n h LYS 7 CO 0.00 0.61 -0.01 0.87 -2.06 0.00 0.00 179.45 178.86 1j4n h LYS 8 N -1.00 -0.01 -1.00 3.15 1.79 -1.07 -1.56 116.57 116.87 1j4n h LYS 8 Ca -0.01 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.67 1j4n h LYS 8 Cb 0.63 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.09 1j4n h LYS 8 CO -0.00 -0.01 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.08 1j4n h LEU 9 N -0.01 -0.86 0.30 2.94 4.07 -1.36 0.12 115.31 120.52 1j4n h LEU 9 Ca 0.00 0.30 -0.01 0.00 0.08 0.00 0.00 57.88 58.25 1j4n h LEU 9 Cb 0.01 0.60 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1j4n h LEU 9 CO -0.01 -0.33 -0.39 0.15 -1.08 0.00 0.00 178.44 176.77 1j4n h PHE 10 N 0.00 -1.10 -0.76 1.13 3.04 -1.48 -1.27 116.94 116.51 1j4n h PHE 10 Ca 0.50 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.56 1j4n h PHE 10 Cb 0.81 0.44 -0.05 0.00 2.56 0.00 0.00 35.95 39.71 1j4n h PHE 10 CO -0.72 -0.50 0.50 -1.49 -2.02 0.00 0.00 178.31 174.07 1j4n h TRP 11 N -0.72 0.70 -0.48 0.41 -0.00 -0.17 0.84 115.95 116.55 1j4n h TRP 11 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 1j4n h TRP 11 Cb 0.64 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 1j4n h TRP 11 CO -0.27 0.33 0.25 0.00 -0.00 0.00 0.00 178.44 178.75 1j4n h ARG 12 N 0.65 0.65 0.17 0.49 3.08 -0.36 0.17 114.38 119.24 1j4n h ARG 12 Ca 0.35 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1j4n h ARG 12 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1j4n h ARG 12 CO -0.13 0.50 -0.08 0.00 -1.07 0.00 0.00 179.97 179.18 1j4n h ALA 13 N 1.61 -0.77 -0.92 0.04 0.00 0.32 0.18 119.26 119.72 1j4n h ALA 13 Ca 0.17 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1j4n h ALA 13 Cb 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.75 1j4n h ALA 13 CO -0.03 -0.75 -0.24 0.28 0.00 0.00 0.00 179.25 178.51 1j4n n VAL 14 N -2.83 -0.40 -0.12 0.00 0.31 -0.76 0.11 118.33 114.65 1j4n n VAL 14 Ca -0.03 2.12 -0.09 0.00 -0.01 0.00 0.00 64.34 66.32 1j4n n VAL 14 Cb 0.09 -2.92 -0.02 0.00 -0.91 0.00 0.00 33.84 30.09 1j4n n VAL 14 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1j4n h VAL 15 N 0.00 1.19 -0.44 2.52 2.07 -0.66 0.19 116.25 121.11 1j4n h VAL 15 Ca 0.43 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1j4n h VAL 15 Cb 0.66 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1j4n h VAL 15 CO -0.95 0.21 0.03 0.00 0.02 0.00 0.00 177.57 176.88 1j4n h ALA 16 N 0.98 1.22 0.00 1.67 0.00 0.31 0.36 119.26 123.81 1j4n h ALA 16 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1j4n h ALA 16 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j4n h ALA 16 CO -0.01 0.52 -0.32 1.49 0.00 0.00 0.00 179.25 180.93 1j4n h GLU 17 N 0.67 0.00 0.10 0.00 4.57 0.12 0.09 114.58 120.13 1j4n h GLU 17 Ca 0.14 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.16 1j4n h GLU 17 Cb 0.37 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1j4n h GLU 17 CO 0.01 0.32 -0.76 0.35 -1.18 0.00 0.00 179.01 177.76 1j4n h PHE 18 N 0.00 0.37 -0.41 0.92 3.04 0.78 -3.12 116.94 118.52 1j4n h PHE 18 Ca -0.00 -0.27 -0.07 0.00 3.98 0.00 0.00 57.97 61.61 1j4n h PHE 18 Cb 0.66 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 1j4n h PHE 18 CO 0.00 1.29 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.51 1j4n h LEU 19 N -0.55 0.71 -1.58 0.59 3.38 -0.28 -2.97 115.31 114.62 1j4n h LEU 19 Ca -0.15 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.52 1j4n h LEU 19 Cb 1.49 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1j4n h LEU 19 CO 0.08 0.85 0.30 0.00 0.09 0.00 0.00 178.44 179.75 1j4n h ALA 20 N 0.89 1.71 -0.08 1.53 0.00 -1.12 -1.03 119.26 121.15 1j4n h ALA 20 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1j4n h ALA 20 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1j4n h ALA 20 CO 0.02 0.27 -0.33 0.52 0.00 0.00 0.00 179.25 179.73 1j4n h MET 21 N 0.58 0.15 0.10 0.00 2.86 -1.45 -1.41 114.93 115.76 1j4n h MET 21 Ca 0.17 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1j4n h MET 21 Cb -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1j4n h MET 21 CO -0.04 0.47 -0.05 0.82 1.06 0.00 0.00 176.91 179.18 1j4n h ILE 22 N 0.13 1.01 -0.56 -1.22 2.04 -1.09 -1.82 117.51 116.00 1j4n h ILE 22 Ca 0.02 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1j4n h ILE 22 Cb 0.66 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1j4n h ILE 22 CO 0.05 0.09 0.37 -0.07 0.00 0.00 0.00 178.15 178.59 1j4n h LEU 23 N -0.30 0.62 0.00 1.44 3.38 -1.36 -0.86 115.31 118.24 1j4n h LEU 23 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1j4n h LEU 23 Cb 0.25 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1j4n h LEU 23 CO 0.02 0.45 -0.25 0.15 0.09 0.00 0.00 178.44 178.90 1j4n h PHE 24 N 0.74 -0.73 -0.42 1.13 3.57 -1.03 0.44 116.94 120.63 1j4n h PHE 24 Ca 0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1j4n h PHE 24 Cb -0.06 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1j4n h PHE 24 CO -0.04 -0.26 0.26 0.82 -2.23 0.00 0.00 178.31 176.85 1j4n h ILE 25 N -0.31 1.06 -0.27 1.41 1.08 -1.29 0.21 117.51 119.40 1j4n h ILE 25 Ca 0.01 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 1j4n h ILE 25 Cb 0.33 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1j4n h ILE 25 CO -0.17 0.10 0.02 0.15 -0.69 0.00 0.00 178.15 177.56 1j4n h PHE 26 N 0.52 0.03 0.51 1.37 3.57 -0.95 -0.89 116.94 121.09 1j4n h PHE 26 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1j4n h PHE 26 Cb -0.01 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1j4n h PHE 26 CO -0.06 -0.02 -0.24 0.82 -2.23 0.00 0.00 178.31 176.57 1j4n h ILE 27 N 0.11 0.44 0.84 1.41 2.04 -0.67 -1.12 117.51 120.56 1j4n h ILE 27 Ca 0.13 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1j4n h ILE 27 Cb 0.16 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1j4n h ILE 27 CO -0.20 0.05 -0.41 0.28 0.00 0.00 0.00 178.15 177.87 1j4n h SER 28 N -0.88 -0.96 0.09 1.72 0.02 -0.86 0.24 113.55 112.92 1j4n h SER 28 Ca -0.07 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1j4n h SER 28 Cb 0.60 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1j4n h SER 28 CO 0.11 -0.64 -0.11 0.40 -1.14 0.00 0.00 176.83 175.45 1j4n h ILE 29 N -1.22 1.11 -0.88 3.27 2.04 -1.33 -0.10 117.51 120.40 1j4n h ILE 29 Ca -0.12 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1j4n h ILE 29 Cb 0.87 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1j4n h ILE 29 CO 0.19 0.14 0.58 1.23 0.00 0.00 0.00 178.15 180.29 1j4n h GLY 30 N 0.45 1.25 0.87 5.37 0.00 -0.84 -1.75 103.07 108.41 1j4n h GLY 30 Ca 0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1j4n h GLY 30 CO 0.02 0.39 -0.47 0.23 0.00 0.00 0.00 176.54 176.71 1j4n h SER 31 N 1.12 0.61 -0.76 0.19 0.87 0.12 -3.16 113.55 112.53 1j4n h SER 31 Ca 0.34 -0.62 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1j4n h SER 31 Cb -0.02 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 1j4n h SER 31 CO -0.10 1.13 0.50 0.00 -0.53 0.00 0.00 176.83 177.84 1j4n h ALA 32 N 0.49 1.62 0.00 6.23 0.00 -0.74 -1.95 119.26 124.91 1j4n h ALA 32 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j4n h ALA 32 Cb 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j4n h ALA 32 CO 0.10 0.28 -0.09 1.28 0.00 0.00 0.00 179.25 180.82 1j4n n LEU 33 N -4.47 0.57 0.25 0.00 4.77 -0.70 -4.05 117.00 113.37 1j4n n LEU 33 Ca 0.11 0.49 0.17 0.00 -0.03 0.00 0.00 56.01 56.75 1j4n n LEU 33 Cb 0.18 -0.35 0.89 0.00 -2.33 0.00 0.00 43.42 41.82 1j4n n LEU 33 CO 0.34 -0.10 1.14 1.23 -1.33 0.00 0.00 177.39 178.67 1j4n h GLY 34 N 4.67 0.00 2.00 -0.72 0.00 -1.31 -2.26 103.07 105.45 1j4n h GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1j4n h GLY 34 CO 0.00 0.00 -0.21 0.27 0.00 0.00 0.00 176.54 176.60 1j4n h PHE 35 N 0.00 0.00 0.00 5.60 -0.00 -1.75 -2.78 116.94 118.01 1j4n h PHE 35 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 1j4n h PHE 35 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.26 1j4n h PHE 35 CO 0.00 0.21 0.00 0.72 -0.00 0.00 0.00 178.31 179.24 1j4n n HIS 36 N -3.27 0.00 -2.80 6.09 8.25 -0.85 -4.39 115.22 118.25 1j4n n HIS 36 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1j4n n HIS 36 Cb 0.49 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 1j4n n HIS 36 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j4n n TYR 37 N -0.13 3.28 0.73 4.41 4.01 -1.05 -4.34 117.16 124.08 1j4n n TYR 37 Ca 0.00 -3.17 0.08 0.00 -0.16 0.00 0.00 57.90 54.64 1j4n n TYR 37 Cb 0.08 -0.90 -0.04 0.00 -0.31 0.00 0.00 39.34 38.17 1j4n n TYR 37 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1j4n n PRO 38 N -0.04 1.74 -0.98 -0.72 -0.02 -1.26 -5.04 135.00 128.68 1j4n n PRO 38 Ca 0.39 -0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.05 1j4n n PRO 38 Cb 0.32 -1.26 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1j4n n PRO 38 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1j4n n ILE 39 N -0.63 1.16 -2.66 4.25 5.41 -1.26 -4.94 119.36 120.69 1j4n n ILE 39 Ca 0.05 -0.29 -0.03 0.00 1.00 0.00 0.00 62.75 63.48 1j4n n ILE 39 Cb 0.30 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.33 1j4n n ILE 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1j4n n LYS 40 N 0.75 1.03 -1.12 0.38 5.02 -1.26 -4.95 118.16 118.00 1j4n n LYS 40 Ca 0.13 -1.18 -0.04 0.00 -2.02 0.00 0.00 58.31 55.20 1j4n n LYS 40 Cb 0.15 0.20 -0.02 0.00 -0.02 0.00 0.00 35.03 35.34 1j4n n LYS 40 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1j4n n SER 41 N -0.98 -5.49 -1.41 4.39 7.64 -1.26 -4.95 113.62 111.56 1j4n n SER 41 Ca -0.12 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1j4n n SER 41 Cb 0.80 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.63 1j4n n SER 41 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1j4n n ASN 42 N -0.88 1.07 -2.73 6.43 5.03 -1.26 -5.11 115.26 117.81 1j4n n ASN 42 Ca -0.04 -0.71 -0.08 0.00 0.87 0.00 0.00 54.58 54.62 1j4n n ASN 42 Cb 0.47 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.30 1j4n n ASN 42 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1j4n n GLN 43 N -0.33 0.74 -4.00 3.52 -0.06 -1.26 -5.02 117.38 110.98 1j4n n GLN 43 Ca 0.00 -1.62 -0.30 0.00 -2.00 0.00 0.00 57.00 53.08 1j4n n GLN 43 Cb 0.00 -1.12 -0.16 0.00 -4.06 0.00 0.00 30.24 24.90 1j4n n GLN 43 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1j4n s THR 44 N 0.47 1.64 0.00 1.69 -4.23 -1.26 -5.09 115.64 108.86 1j4n s THR 44 Ca 0.28 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1j4n s THR 44 Cb 0.25 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.39 1j4n s THR 44 CO -0.17 0.19 0.00 0.35 -0.54 0.00 0.00 174.62 174.45 1j4n n THR 45 N 4.69 0.00 -3.59 3.99 -2.24 -1.26 -5.00 114.28 110.87 1j4n n THR 45 Ca -0.15 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1j4n n THR 45 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1j4n n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j4n s GLY 46 N -3.32 -0.40 0.55 3.38 0.00 -1.26 -5.13 107.32 101.15 1j4n s GLY 46 Ca 0.00 0.41 -0.10 0.00 0.00 0.00 0.00 44.72 45.03 1j4n s GLY 46 CO 0.00 0.13 0.94 0.00 0.00 0.00 0.00 173.10 174.17 1j4n s ALA 47 N -3.52 3.20 -0.23 3.20 0.00 -1.26 -5.06 121.76 118.08 1j4n s ALA 47 Ca 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1j4n s ALA 47 Cb -0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1j4n s ALA 47 CO -0.05 -0.49 0.39 0.08 0.00 0.00 0.00 175.76 175.68 1j4n s VAL 48 N -2.93 5.19 0.38 0.00 1.01 -1.26 -4.95 120.40 117.83 1j4n s VAL 48 Ca 0.53 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.90 1j4n s VAL 48 Cb -0.11 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 1j4n s VAL 48 CO 0.47 0.20 0.95 1.67 0.00 0.00 0.00 175.10 178.40 1j4n n GLN 49 N 4.89 1.25 -3.58 2.72 -0.06 -1.26 -4.97 117.38 116.38 1j4n n GLN 49 Ca -0.08 0.45 -0.40 0.00 -2.00 0.00 0.00 57.00 54.96 1j4n n GLN 49 Cb 0.51 -1.91 -0.11 0.00 -4.06 0.00 0.00 30.24 24.67 1j4n n GLN 49 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1j4n s ASP 50 N -0.71 5.80 0.43 1.69 -1.08 -1.26 -4.98 116.67 116.56 1j4n s ASP 50 Ca 0.62 -0.75 0.23 0.00 -0.52 0.00 0.00 52.55 52.13 1j4n s ASP 50 Cb -0.61 -2.06 0.82 0.00 -1.46 0.00 0.00 42.92 39.61 1j4n s ASP 50 CO 0.58 -0.32 1.78 0.78 0.52 0.00 0.00 175.17 178.51 1j4n h ASN 51 N 8.45 0.00 0.02 -0.34 4.21 -1.99 -2.44 115.58 123.49 1j4n h ASN 51 Ca -0.29 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.09 1j4n h ASN 51 Cb 1.13 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.34 1j4n h ASN 51 CO 0.66 0.24 -0.53 0.58 -1.29 0.00 0.00 177.43 177.09 1j4n h VAL 52 N 0.00 1.48 -0.17 2.81 2.07 -1.97 -1.26 116.25 119.20 1j4n h VAL 52 Ca -0.00 -2.12 0.05 0.00 0.82 0.00 0.00 66.70 65.44 1j4n h VAL 52 Cb 0.82 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 33.28 1j4n h VAL 52 CO 0.03 0.60 -0.23 0.50 0.02 0.00 0.00 177.57 178.50 1j4n h LYS 53 N -0.27 -0.26 -0.15 1.57 3.64 -1.97 0.17 116.57 119.31 1j4n h LYS 53 Ca -0.07 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1j4n h LYS 53 Cb 1.28 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1j4n h LYS 53 CO 0.10 -0.17 0.01 0.28 -2.27 0.00 0.00 179.45 177.40 1j4n h VAL 54 N -0.27 1.23 -0.78 2.00 2.07 -1.50 -0.60 116.25 118.40 1j4n h VAL 54 Ca 0.11 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.92 1j4n h VAL 54 Cb 0.44 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1j4n h VAL 54 CO -0.33 0.22 0.48 0.28 0.02 0.00 0.00 177.57 178.25 1j4n h SER 55 N 0.01 0.77 -0.17 0.57 0.02 -0.91 -1.62 113.55 112.22 1j4n h SER 55 Ca 0.04 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1j4n h SER 55 Cb 0.33 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1j4n h SER 55 CO 0.00 0.51 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.88 1j4n h LEU 56 N 0.91 0.65 -0.26 5.07 3.38 -0.53 -1.13 115.31 123.41 1j4n h LEU 56 Ca 0.33 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1j4n h LEU 56 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1j4n h LEU 56 CO -0.14 0.89 -0.01 0.00 0.09 0.00 0.00 178.44 179.27 1j4n h ALA 57 N 1.16 0.22 0.09 1.53 0.00 -0.20 0.32 119.26 122.39 1j4n h ALA 57 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j4n h ALA 57 Cb 0.74 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j4n h ALA 57 CO 0.06 -0.43 -0.04 0.74 0.00 0.00 0.00 179.25 179.58 1j4n h PHE 58 N 0.07 -0.11 -0.28 0.00 -1.00 -1.27 -2.16 116.94 112.18 1j4n h PHE 58 Ca 0.12 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 1j4n h PHE 58 Cb 0.16 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1j4n h PHE 58 CO -0.21 0.22 0.16 0.78 -1.61 0.00 0.00 178.31 177.65 1j4n h GLY 59 N -0.46 0.40 2.00 -1.45 0.00 -0.99 -2.48 103.07 100.09 1j4n h GLY 59 Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1j4n h GLY 59 CO 0.02 0.16 -0.30 1.41 0.00 0.00 0.00 176.54 177.83 1j4n h LEU 60 N 0.35 0.00 -0.26 3.11 3.38 -0.45 -0.51 115.31 120.93 1j4n h LEU 60 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j4n h LEU 60 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1j4n h LEU 60 CO -0.02 0.30 0.15 0.28 0.09 0.00 0.00 178.44 179.25 1j4n h SER 61 N 0.00 0.31 -0.08 -0.43 0.02 -0.96 0.81 113.55 113.22 1j4n h SER 61 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1j4n h SER 61 Cb 0.74 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1j4n h SER 61 CO 0.04 0.27 0.01 0.40 -1.14 0.00 0.00 176.83 176.42 1j4n h ILE 62 N 0.32 1.21 -0.41 3.27 1.08 -1.05 0.24 117.51 122.17 1j4n h ILE 62 Ca 0.09 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 63.99 1j4n h ILE 62 Cb 0.02 1.49 -0.07 0.00 -3.07 0.00 0.00 36.82 35.19 1j4n h ILE 62 CO -0.02 0.18 -0.03 0.00 -0.69 0.00 0.00 178.15 177.60 1j4n h ALA 63 N 0.78 0.35 0.00 1.87 0.00 -0.93 0.80 119.26 122.13 1j4n h ALA 63 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j4n h ALA 63 Cb 0.28 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1j4n h ALA 63 CO 0.00 -0.41 -0.00 1.15 0.00 0.00 0.00 179.25 179.99 1j4n h THR 64 N 0.08 1.20 -0.65 0.00 2.02 -0.67 -2.12 112.91 112.76 1j4n h THR 64 Ca 0.20 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1j4n h THR 64 Cb 0.30 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1j4n h THR 64 CO -0.36 0.15 0.18 -0.07 0.37 0.00 0.00 175.52 175.78 1j4n h LEU 65 N -0.25 0.94 -1.33 2.58 4.07 -0.15 0.14 115.31 121.31 1j4n h LEU 65 Ca -0.00 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 1j4n h LEU 65 Cb 0.25 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1j4n h LEU 65 CO 0.00 0.90 -0.23 0.00 -1.08 0.00 0.00 178.44 178.03 1j4n h ALA 66 N 1.22 1.44 -0.02 1.53 0.00 0.67 -0.82 119.26 123.29 1j4n h ALA 66 Ca 0.21 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1j4n h ALA 66 Cb 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1j4n h ALA 66 CO -0.00 0.40 -0.95 0.37 0.00 0.00 0.00 179.25 179.06 1j4n h GLN 67 N 0.15 0.54 -0.08 0.00 5.75 -0.79 0.79 115.11 121.46 1j4n h GLN 67 Ca 0.03 -0.56 -0.21 0.00 -0.15 0.00 0.00 58.65 57.75 1j4n h GLN 67 Cb 0.50 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1j4n h GLN 67 CO 0.03 1.19 -0.81 0.77 -2.65 0.00 0.00 178.83 177.36 1j4n h SER 68 N 0.31 0.69 0.00 -0.69 0.02 -0.16 -3.39 113.55 110.33 1j4n h SER 68 Ca -0.09 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1j4n h SER 68 Cb 1.59 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1j4n h SER 68 CO 0.18 1.25 -0.05 1.33 -1.14 0.00 0.00 176.83 178.40 1j4n n VAL 69 N -3.86 0.24 0.12 2.27 0.24 -0.36 -4.84 118.33 112.13 1j4n n VAL 69 Ca -0.06 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1j4n n VAL 69 Cb 0.76 0.82 0.63 0.00 -1.47 0.00 0.00 33.84 34.57 1j4n n VAL 69 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1j4n h GLY 70 N 0.00 0.10 2.00 7.63 0.00 -0.92 -0.72 103.07 111.16 1j4n h GLY 70 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1j4n h GLY 70 CO 0.00 0.03 -0.09 1.12 0.00 0.00 0.00 176.54 177.60 1j4n h HIS 71 N 0.08 0.00 0.09 5.60 2.07 -1.88 -0.82 115.15 120.30 1j4n h HIS 71 Ca 0.12 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.41 1j4n h HIS 71 Cb 0.38 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.36 1j4n h HIS 71 CO -0.00 0.09 -1.20 0.82 -3.07 0.00 0.00 177.93 174.57 1j4n h ILE 72 N 0.00 1.14 0.00 6.12 2.04 -1.51 -3.43 117.51 121.87 1j4n h ILE 72 Ca -0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1j4n h ILE 72 Cb 0.88 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1j4n h ILE 72 CO 0.01 0.65 -0.21 -1.54 0.00 0.00 0.00 178.15 177.06 1j4n n SER 73 N -4.07 1.05 0.00 1.72 3.41 -0.91 -4.37 113.62 110.45 1j4n n SER 73 Ca -0.23 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1j4n n SER 73 Cb 0.83 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 1j4n n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4n n GLY 74 N 1.06 0.34 3.87 5.00 0.00 -0.31 -4.61 105.19 110.53 1j4n n GLY 74 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1j4n n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4n n ALA 75 N -1.85 -2.23 0.23 4.61 0.00 -1.26 -4.86 120.51 115.14 1j4n n ALA 75 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1j4n n ALA 75 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 1j4n n ALA 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j4n h HIS 76 N -1.91 -0.57 -2.51 0.00 3.86 -1.96 -3.46 115.15 108.59 1j4n h HIS 76 Ca -0.65 -0.01 -0.30 0.00 -1.16 0.00 0.00 60.37 58.25 1j4n h HIS 76 Cb 1.37 0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.97 1j4n h HIS 76 CO 0.43 -0.35 -0.33 1.28 0.86 0.00 0.00 177.93 179.82 1j4n n LEU 77 N -4.55 -1.22 -3.21 2.43 4.77 -1.26 -4.88 117.00 109.07 1j4n n LEU 77 Ca -0.08 0.24 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1j4n n LEU 77 Cb 0.24 -2.27 -0.02 0.00 -2.33 0.00 0.00 43.42 39.04 1j4n n LEU 77 CO 0.18 -0.44 0.52 0.21 -1.33 0.00 0.00 177.39 176.53 1j4n s ASN 78 N -2.13 -0.65 0.39 -1.43 3.84 -1.26 -4.93 114.94 108.77 1j4n s ASN 78 Ca 0.00 0.51 0.19 0.00 0.21 0.00 0.00 52.86 53.77 1j4n s ASN 78 Cb 0.00 1.59 1.14 0.00 -0.55 0.00 0.00 41.25 43.42 1j4n s ASN 78 CO 0.00 -0.12 1.73 -0.65 -2.79 0.00 0.00 177.10 175.27 1j4n h PRO 79 N 7.88 0.34 -0.11 0.43 0.11 -1.92 0.84 132.00 139.58 1j4n h PRO 79 Ca -0.16 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1j4n h PRO 79 Cb 1.16 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1j4n h PRO 79 CO 0.01 0.23 -0.15 0.00 -0.21 0.00 0.00 178.00 177.88 1j4n h ALA 80 N 1.65 1.55 0.01 -0.75 0.00 -1.92 0.64 119.26 120.43 1j4n h ALA 80 Ca 0.65 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1j4n h ALA 80 Cb 1.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1j4n h ALA 80 CO -0.36 0.33 -0.00 0.28 0.00 0.00 0.00 179.25 179.49 1j4n h VAL 81 N 0.16 1.47 0.05 0.00 2.07 0.26 -1.89 116.25 118.37 1j4n h VAL 81 Ca 0.03 -2.01 0.03 0.00 0.82 0.00 0.00 66.70 65.57 1j4n h VAL 81 Cb 0.37 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 1j4n h VAL 81 CO 0.02 0.48 -0.37 0.74 0.02 0.00 0.00 177.57 178.47 1j4n h THR 82 N -0.95 0.23 -0.82 2.57 2.02 -0.84 0.19 112.91 115.32 1j4n h THR 82 Ca -0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1j4n h THR 82 Cb 0.80 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1j4n h THR 82 CO 0.00 0.00 0.54 0.25 0.37 0.00 0.00 175.52 176.68 1j4n h LEU 83 N -0.56 0.46 -0.43 2.58 7.12 0.18 0.21 115.31 124.88 1j4n h LEU 83 Ca 0.04 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.06 1j4n h LEU 83 Cb 0.62 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 1j4n h LEU 83 CO -0.26 0.23 0.18 1.23 -0.13 0.00 0.00 178.44 179.69 1j4n h GLY 84 N 0.48 0.68 0.67 3.75 0.00 0.10 -2.19 103.07 106.56 1j4n h GLY 84 Ca 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j4n h GLY 84 CO -0.15 0.34 -0.03 1.41 0.00 0.00 0.00 176.54 178.11 1j4n h LEU 85 N 0.55 -0.07 -0.58 3.11 -0.00 0.19 -2.93 115.31 115.58 1j4n h LEU 85 Ca 0.14 -0.30 0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1j4n h LEU 85 Cb 0.17 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 40.74 1j4n h LEU 85 CO -0.01 0.26 -0.50 0.25 -0.00 0.00 0.00 178.44 178.44 1j4n h LEU 86 N -0.42 -1.71 -2.10 1.67 7.12 -0.71 0.73 115.31 119.90 1j4n h LEU 86 Ca -0.01 0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1j4n h LEU 86 Cb 0.36 0.75 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1j4n h LEU 86 CO 0.01 -0.35 0.00 -0.07 -0.13 0.00 0.00 178.44 177.91 1j4n h LEU 87 N -0.25 0.00 -0.25 2.25 4.07 -1.43 0.65 115.31 120.34 1j4n h LEU 87 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1j4n h LEU 87 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1j4n h LEU 87 CO -0.69 0.00 -0.22 -0.24 -1.08 0.00 0.00 178.44 176.21 1j4n n SER 88 N -2.66 0.60 -3.16 -0.43 2.88 0.25 -4.92 113.62 106.17 1j4n n SER 88 Ca -0.02 -0.51 -0.18 0.00 -1.33 0.00 0.00 58.87 56.84 1j4n n SER 88 Cb 0.07 0.01 0.07 0.00 -0.75 0.00 0.00 64.21 63.62 1j4n n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j4n n GLN 90 N -4.07 1.37 -3.96 0.00 6.02 -1.12 -4.84 117.38 110.78 1j4n n GLN 90 Ca -0.13 -0.59 -0.08 0.00 -0.01 0.00 0.00 57.00 56.19 1j4n n GLN 90 Cb 0.60 -1.00 -0.09 0.00 1.02 0.00 0.00 30.24 30.78 1j4n n GLN 90 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1j4n s ILE 91 N -0.75 0.17 0.09 5.09 -1.09 -1.26 -4.97 121.20 118.48 1j4n s ILE 91 Ca 0.05 -1.41 -0.10 0.00 -2.23 0.00 0.00 60.65 56.96 1j4n s ILE 91 Cb 0.04 -1.32 -0.06 0.00 -1.58 0.00 0.00 42.46 39.55 1j4n s ILE 91 CO 0.11 -0.78 0.41 -0.94 -1.23 0.00 0.00 174.94 172.51 1j4n s SER 92 N -2.74 6.66 0.35 3.58 1.04 -1.25 -4.48 113.70 116.85 1j4n s SER 92 Ca 0.04 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.32 1j4n s SER 92 Cb 0.05 -2.19 0.68 0.00 0.10 0.00 0.00 66.02 64.67 1j4n s SER 92 CO -0.09 0.16 1.96 -0.37 0.98 0.00 0.00 173.24 175.88 1j4n h VAL 93 N 2.85 1.06 -0.98 5.02 -1.51 -1.76 0.60 116.25 121.53 1j4n h VAL 93 Ca -0.49 -0.28 0.16 0.00 -1.23 0.00 0.00 66.70 64.86 1j4n h VAL 93 Cb 1.19 0.16 -0.09 0.00 -2.13 0.00 0.00 31.29 30.43 1j4n h VAL 93 CO 0.66 0.15 0.61 0.25 -1.23 0.00 0.00 177.57 178.02 1j4n h LEU 94 N 0.82 0.77 0.36 4.19 5.85 -1.87 0.25 115.31 125.69 1j4n h LEU 94 Ca 0.31 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 1j4n h LEU 94 Cb 0.17 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1j4n h LEU 94 CO -0.10 0.34 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.08 1j4n h ARG 95 N 0.79 -0.46 -0.92 1.25 9.65 -0.38 -2.40 114.38 121.91 1j4n h ARG 95 Ca 0.52 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.56 1j4n h ARG 95 Cb 0.77 0.11 -0.14 0.00 -1.39 0.00 0.00 29.97 29.31 1j4n h ARG 95 CO -0.29 -0.31 -0.44 0.00 2.80 0.00 0.00 179.97 181.73 1j4n h ALA 96 N -1.20 -0.08 0.08 2.80 0.00 -0.11 0.11 119.26 120.85 1j4n h ALA 96 Ca -0.05 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j4n h ALA 96 Cb 0.37 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1j4n h ALA 96 CO 0.08 -0.74 -0.10 0.82 0.00 0.00 0.00 179.25 179.31 1j4n h ILE 97 N -0.04 0.00 -0.89 0.00 2.04 -0.62 0.13 117.51 118.13 1j4n h ILE 97 Ca 0.27 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.38 1j4n h ILE 97 Cb 0.55 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1j4n h ILE 97 CO -0.92 0.00 0.63 -0.03 0.00 0.00 0.00 178.15 177.83 1j4n h MET 98 N -0.18 0.08 0.17 2.37 4.05 -0.99 -2.19 114.93 118.24 1j4n h MET 98 Ca -0.01 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1j4n h MET 98 Cb 0.17 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1j4n h MET 98 CO -0.03 0.05 -0.08 1.88 0.23 0.00 0.00 176.91 178.96 1j4n h TYR 99 N 0.08 -0.22 -0.41 1.39 -1.99 -0.41 -2.57 116.97 112.85 1j4n h TYR 99 Ca 0.43 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.28 1j4n h TYR 99 Cb 1.59 0.07 -0.02 0.00 2.00 0.00 0.00 36.73 40.38 1j4n h TYR 99 CO -0.00 0.17 0.39 0.82 -0.00 0.00 0.00 178.16 179.55 1j4n h ILE 100 N -0.93 0.47 0.17 -2.88 2.04 -0.15 0.21 117.51 116.45 1j4n h ILE 100 Ca -0.02 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.61 1j4n h ILE 100 Cb 0.49 0.70 0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1j4n h ILE 100 CO 0.04 0.00 -0.98 0.40 0.00 0.00 0.00 178.15 177.61 1j4n h ILE 101 N 0.00 1.45 -0.22 -0.67 2.04 -1.49 -1.81 117.51 116.81 1j4n h ILE 101 Ca 0.20 -2.57 0.01 0.00 1.00 0.00 0.00 64.86 63.49 1j4n h ILE 101 Cb 0.98 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 1j4n h ILE 101 CO -0.00 0.74 0.15 0.00 0.00 0.00 0.00 178.15 179.04 1j4n h ALA 102 N 0.09 1.87 0.17 1.87 0.00 -0.52 -0.36 119.26 122.39 1j4n h ALA 102 Ca -0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1j4n h ALA 102 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1j4n h ALA 102 CO 0.18 0.12 -0.08 1.96 0.00 0.00 0.00 179.25 181.42 1j4n h GLN 103 N 0.28 -0.23 -0.92 0.00 4.20 -0.64 -1.54 115.11 116.26 1j4n h GLN 103 Ca 0.08 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.01 1j4n h GLN 103 Cb 0.00 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.72 1j4n h GLN 103 CO -0.02 -0.15 0.48 0.00 -0.67 0.00 0.00 178.83 178.47 1j4n h VAL 105 N 0.56 1.23 -0.93 0.00 2.07 -1.14 0.15 116.25 118.20 1j4n h VAL 105 Ca 0.55 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1j4n h VAL 105 Cb 0.94 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1j4n h VAL 105 CO -0.44 0.26 0.61 1.23 0.02 0.00 0.00 177.57 179.25 1j4n h GLY 106 N 0.39 1.34 0.96 2.17 0.00 -0.03 1.06 103.07 108.96 1j4n h GLY 106 Ca 0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1j4n h GLY 106 CO 0.00 0.42 -0.44 0.00 0.00 0.00 0.00 176.54 176.53 1j4n h ALA 107 N 1.37 -1.23 -0.80 3.60 0.00 -0.75 0.55 119.26 121.99 1j4n h ALA 107 Ca 0.36 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1j4n h ALA 107 Cb -0.05 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1j4n h ALA 107 CO -0.10 -1.16 0.28 0.82 0.00 0.00 0.00 179.25 179.09 1j4n h ILE 108 N -1.29 0.53 -0.09 0.00 2.04 -0.14 0.80 117.51 119.36 1j4n h ILE 108 Ca -0.13 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1j4n h ILE 108 Cb 0.95 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1j4n h ILE 108 CO 0.21 0.07 -0.01 0.58 0.00 0.00 0.00 178.15 178.99 1j4n h VAL 109 N 0.36 1.27 0.07 1.67 2.07 0.14 -2.58 116.25 119.26 1j4n h VAL 109 Ca 0.47 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1j4n h VAL 109 Cb 0.81 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1j4n h VAL 109 CO -0.49 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.30 1j4n h ALA 110 N 0.71 -0.10 -0.23 1.67 0.00 0.16 -1.76 119.26 119.70 1j4n h ALA 110 Ca 0.02 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1j4n h ALA 110 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j4n h ALA 110 CO 0.01 -0.45 0.27 1.15 0.00 0.00 0.00 179.25 180.23 1j4n h THR 111 N -0.31 0.41 0.00 0.00 2.02 0.48 0.21 112.91 115.72 1j4n h THR 111 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1j4n h THR 111 Cb 0.26 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1j4n h THR 111 CO 0.02 0.00 -0.88 0.00 0.37 0.00 0.00 175.52 175.03 1j4n h ALA 112 N 1.67 0.53 0.00 6.16 0.00 -1.01 -3.21 119.26 123.40 1j4n h ALA 112 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1j4n h ALA 112 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1j4n h ALA 112 CO -0.00 0.00 -0.80 0.82 0.00 0.00 0.00 179.25 179.27 1j4n h ILE 113 N 0.00 0.58 -0.08 0.00 2.04 -0.11 -3.28 117.51 116.66 1j4n h ILE 113 Ca 0.00 -1.91 -0.22 0.00 1.00 0.00 0.00 64.86 63.73 1j4n h ILE 113 Cb 0.93 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1j4n h ILE 113 CO 0.00 0.33 -0.83 -0.07 0.00 0.00 0.00 178.15 177.58 1j4n h LEU 114 N 0.00 0.70 -1.00 1.44 3.38 -1.50 -2.71 115.31 115.62 1j4n h LEU 114 Ca -0.05 -0.49 0.27 0.00 0.09 0.00 0.00 57.88 57.69 1j4n h LEU 114 Cb 1.37 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 1j4n h LEU 114 CO 0.05 1.27 0.58 0.28 0.09 0.00 0.00 178.44 180.71 1j4n h SER 115 N 0.37 0.62 0.06 -0.43 0.02 -1.61 0.99 113.55 113.57 1j4n h SER 115 Ca -0.06 0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1j4n h SER 115 Cb 1.44 0.06 0.02 0.00 0.14 0.00 0.00 62.40 64.06 1j4n h SER 115 CO 0.15 0.03 -0.72 1.23 -1.14 0.00 0.00 176.83 176.38 1j4n h GLY 116 N 0.50 0.43 0.80 -3.77 0.00 -1.68 0.43 103.07 99.77 1j4n h GLY 116 Ca 0.67 -0.87 0.04 0.00 0.00 0.00 0.00 47.33 47.17 1j4n h GLY 116 CO -0.52 0.77 0.45 -2.22 0.00 0.00 0.00 176.54 175.02 1j4n h ILE 117 N -0.19 1.06 -0.33 2.60 1.08 -0.39 -2.94 117.51 118.40 1j4n h ILE 117 Ca -0.11 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.02 1j4n h ILE 117 Cb 1.48 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1j4n h ILE 117 CO 0.14 0.16 0.02 1.07 -0.69 0.00 0.00 178.15 178.84 1j4n n THR 118 N -4.68 2.41 -0.34 -0.27 5.66 0.31 -4.71 114.28 112.67 1j4n n THR 118 Ca 0.09 -1.99 0.17 0.00 -3.05 0.00 0.00 64.05 59.27 1j4n n THR 118 Cb 0.12 -0.28 0.38 0.00 -1.55 0.00 0.00 70.33 69.01 1j4n n THR 118 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1j4n h SER 119 N 1.81 0.68 0.00 1.09 4.64 -0.71 -0.78 113.55 120.28 1j4n h SER 119 Ca 0.06 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1j4n h SER 119 Cb 1.59 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1j4n h SER 119 CO 0.31 0.15 0.00 -0.24 -0.87 0.00 0.00 176.83 176.18 1j4n n SER 120 N -4.83 0.00 -4.83 4.97 2.88 -1.26 -4.68 113.62 105.87 1j4n n SER 120 Ca 0.26 -0.11 -0.35 0.00 -1.33 0.00 0.00 58.87 57.33 1j4n n SER 120 Cb 0.71 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.11 1j4n n SER 120 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1j4n s LEU 121 N -1.16 4.16 0.00 2.46 2.96 -0.30 -5.10 118.68 121.69 1j4n s LEU 121 Ca 0.00 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1j4n s LEU 121 Cb 0.00 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1j4n s LEU 121 CO 0.00 0.36 0.00 -2.65 -1.32 0.00 0.00 176.35 172.75 1j4n n PRO 122 N 1.75 0.00 -0.32 0.98 -0.02 -1.26 -3.97 135.00 132.15 1j4n n PRO 122 Ca -0.17 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.24 1j4n n PRO 122 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.99 1j4n n PRO 122 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1j4n n ASP 123 N 0.00 1.92 -4.54 2.55 8.00 -1.26 -4.83 116.55 118.38 1j4n n ASP 123 Ca 0.00 -1.94 -0.29 0.00 0.71 0.00 0.00 54.79 53.27 1j4n n ASP 123 Cb 0.00 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 1j4n n ASP 123 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j4n n ASN 124 N 3.61 1.45 -0.00 -2.24 2.85 -1.25 -4.75 115.26 114.92 1j4n n ASN 124 Ca 0.17 -0.68 0.14 0.00 -0.11 0.00 0.00 54.58 54.09 1j4n n ASN 124 Cb 0.18 -1.39 0.61 0.00 1.24 0.00 0.00 39.78 40.41 1j4n n ASN 124 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1j4n n SER 125 N 14.81 0.03 -3.78 1.20 3.41 -1.26 -4.91 113.62 123.12 1j4n n SER 125 Ca 0.48 0.42 -0.27 0.00 -0.26 0.00 0.00 58.87 59.24 1j4n n SER 125 Cb 0.39 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1j4n n SER 125 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j4n n LEU 126 N -1.49 -2.93 -3.16 1.04 4.77 -1.26 -1.79 117.00 112.19 1j4n n LEU 126 Ca 0.07 -0.72 -0.22 0.00 -0.03 0.00 0.00 56.01 55.11 1j4n n LEU 126 Cb 0.33 -2.72 0.02 0.00 -2.33 0.00 0.00 43.42 38.72 1j4n n LEU 126 CO 0.27 0.50 -0.02 0.61 -1.33 0.00 0.00 177.39 177.43 1j4n n GLY 127 N -1.73 -0.51 3.76 -0.72 0.00 -1.26 -4.77 105.19 99.96 1j4n n GLY 127 Ca -0.03 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1j4n n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4n s LEU 128 N -6.57 4.44 -0.18 0.99 0.20 -0.74 -4.93 118.68 111.89 1j4n s LEU 128 Ca 0.34 2.55 -0.29 0.00 0.69 0.00 0.00 54.13 57.42 1j4n s LEU 128 Cb -0.17 -3.63 -0.01 0.00 -0.43 0.00 0.00 46.19 41.95 1j4n s LEU 128 CO 0.42 -0.48 1.30 0.20 -0.29 0.00 0.00 176.35 177.49 1j4n s ASN 129 N -0.28 6.87 -0.01 3.68 0.01 -1.26 -5.01 114.94 118.94 1j4n s ASN 129 Ca 0.51 1.64 0.02 0.00 -0.71 0.00 0.00 52.86 54.32 1j4n s ASN 129 Cb -0.38 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 38.74 1j4n s ASN 129 CO 0.47 -0.84 -0.06 0.00 -1.51 0.00 0.00 177.10 175.16 1j4n s ALA 130 N 3.72 0.53 0.04 0.60 0.00 -1.21 -4.90 121.76 120.54 1j4n s ALA 130 Ca 0.56 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1j4n s ALA 130 Cb -0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1j4n s ALA 130 CO 0.17 0.11 1.91 -1.17 0.00 0.00 0.00 175.76 176.78 1j4n s LEU 131 N -0.02 4.42 0.48 0.00 1.98 -1.26 -4.26 118.68 120.02 1j4n s LEU 131 Ca 0.01 2.64 -0.21 0.00 -2.89 0.00 0.00 54.13 53.68 1j4n s LEU 131 Cb -0.04 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.19 1j4n s LEU 131 CO -0.00 -1.03 1.06 0.00 -1.89 0.00 0.00 176.35 174.49 1j4n s ALA 132 N 4.11 2.88 -0.29 5.97 0.00 -0.60 -4.92 121.76 128.92 1j4n s ALA 132 Ca 0.85 0.68 -0.32 0.00 0.00 0.00 0.00 51.96 53.17 1j4n s ALA 132 Cb -0.42 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 1j4n s ALA 132 CO 0.39 -0.40 2.19 -2.30 0.00 0.00 0.00 175.76 175.64 1j4n n PRO 133 N -0.84 1.46 0.00 0.00 -0.02 -1.26 -1.18 135.00 133.16 1j4n n PRO 133 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1j4n n PRO 133 Cb 0.51 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1j4n n PRO 133 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4n n GLY 134 N 6.15 1.27 3.47 -1.23 0.00 -1.26 -5.07 105.19 108.52 1j4n n GLY 134 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1j4n n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4n s VAL 135 N -2.01 4.88 -0.84 1.61 1.01 -0.33 -4.97 120.40 119.76 1j4n s VAL 135 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1j4n s VAL 135 Cb 0.00 -4.25 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 1j4n s VAL 135 CO 0.00 -0.72 2.33 -0.46 0.00 0.00 0.00 175.10 176.25 1j4n n ASN 136 N 6.14 0.93 -4.17 3.32 6.94 -1.26 -4.80 115.26 122.36 1j4n n ASN 136 Ca -0.05 -1.29 -0.38 0.00 -0.02 0.00 0.00 54.58 52.84 1j4n n ASN 136 Cb 0.46 -1.37 0.02 0.00 -2.36 0.00 0.00 39.78 36.53 1j4n n ASN 136 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1j4n n SER 137 N 15.35 -4.46 0.00 0.53 7.64 -1.26 0.84 113.62 132.26 1j4n n SER 137 Ca 0.52 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1j4n n SER 137 Cb 0.36 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1j4n n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j4n n GLY 138 N 2.84 2.42 0.00 0.23 0.00 -1.26 -3.84 105.19 105.58 1j4n n GLY 138 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1j4n n GLY 138 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j4n n GLN 139 N 0.00 0.26 -0.10 1.61 7.27 -1.04 0.68 117.38 126.06 1j4n n GLN 139 Ca 0.00 0.11 0.11 0.00 0.07 0.00 0.00 57.00 57.29 1j4n n GLN 139 Cb 0.00 -1.50 0.32 0.00 2.41 0.00 0.00 30.24 31.47 1j4n n GLN 139 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1j4n n GLY 140 N -0.17 0.70 0.60 1.69 0.00 0.25 -3.84 105.19 104.41 1j4n n GLY 140 Ca 0.07 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1j4n n GLY 140 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j4n n LEU 141 N 0.68 1.80 0.22 0.99 0.00 0.22 -3.63 117.00 117.29 1j4n n LEU 141 Ca 0.17 -0.74 0.14 0.00 0.00 0.00 0.00 56.01 55.59 1j4n n LEU 141 Cb 0.42 -0.10 0.45 0.00 0.00 0.00 0.00 43.42 44.19 1j4n n LEU 141 CO 0.14 0.37 0.90 1.23 0.00 0.00 0.00 177.39 180.03 1j4n h GLY 142 N 4.96 0.00 0.61 -3.96 0.00 -1.74 -2.83 103.07 100.10 1j4n h GLY 142 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1j4n h GLY 142 CO 0.00 0.00 -0.29 -2.22 0.00 0.00 0.00 176.54 174.03 1j4n h ILE 143 N 0.00 0.00 -0.89 2.60 1.08 -1.87 -1.78 117.51 116.65 1j4n h ILE 143 Ca 0.00 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 1j4n h ILE 143 Cb 0.69 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 1j4n h ILE 143 CO 0.00 0.00 0.58 -0.33 -0.69 0.00 0.00 178.15 177.71 1j4n h GLU 144 N -1.17 0.92 -0.30 2.37 4.39 -1.80 0.17 114.58 119.16 1j4n h GLU 144 Ca -0.08 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1j4n h GLU 144 Cb 0.62 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1j4n h GLU 144 CO 0.14 0.61 0.13 0.82 -1.16 0.00 0.00 179.01 179.55 1j4n h ILE 145 N 0.95 1.17 -0.18 3.13 2.04 -1.51 -0.41 117.51 122.69 1j4n h ILE 145 Ca 0.40 -0.50 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 1j4n h ILE 145 Cb 0.31 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1j4n h ILE 145 CO -0.16 0.17 -0.59 0.40 0.00 0.00 0.00 178.15 177.97 1j4n h ILE 146 N 0.34 1.30 -0.58 -0.67 1.08 -0.79 -1.06 117.51 117.13 1j4n h ILE 146 Ca 0.10 -1.82 0.01 0.00 -0.39 0.00 0.00 64.86 62.77 1j4n h ILE 146 Cb 0.15 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1j4n h ILE 146 CO -0.01 0.57 0.38 1.23 -0.69 0.00 0.00 178.15 179.63 1j4n h GLY 147 N 0.43 0.83 1.64 5.37 0.00 -0.59 -1.48 103.07 109.26 1j4n h GLY 147 Ca -0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 1j4n h GLY 147 CO 0.13 0.27 -0.98 -0.84 0.00 0.00 0.00 176.54 175.12 1j4n h THR 148 N 0.76 1.45 0.34 4.70 2.02 -1.12 -3.16 112.91 117.90 1j4n h THR 148 Ca 0.22 -2.64 -0.01 0.00 0.77 0.00 0.00 66.41 64.75 1j4n h THR 148 Cb -0.05 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1j4n h THR 148 CO -0.07 0.78 -0.29 0.25 0.37 0.00 0.00 175.52 176.56 1j4n h LEU 149 N 0.16 -0.78 -1.15 2.58 5.85 -0.84 -0.24 115.31 120.89 1j4n h LEU 149 Ca -0.08 0.06 0.26 0.00 0.84 0.00 0.00 57.88 58.96 1j4n h LEU 149 Cb 1.64 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.80 1j4n h LEU 149 CO 0.16 -0.40 0.63 0.06 -0.34 0.00 0.00 178.44 178.55 1j4n h GLN 150 N -0.61 0.48 0.45 1.25 -0.00 -1.40 0.17 115.11 115.46 1j4n h GLN 150 Ca -0.04 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 1j4n h GLN 150 Cb 0.52 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1j4n h GLN 150 CO -0.01 0.32 -0.22 1.25 -0.00 0.00 0.00 178.83 180.17 1j4n h LEU 151 N 0.49 -0.52 -1.07 0.06 5.85 -1.42 -1.71 115.31 116.99 1j4n h LEU 151 Ca 0.63 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.56 1j4n h LEU 151 Cb 1.37 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 1j4n h LEU 151 CO -0.41 -0.32 0.61 0.58 -0.34 0.00 0.00 178.44 178.56 1j4n h VAL 152 N -0.70 0.71 -0.90 1.05 2.07 -0.48 0.19 116.25 118.20 1j4n h VAL 152 Ca -0.06 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1j4n h VAL 152 Cb 0.47 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1j4n h VAL 152 CO 0.10 0.13 0.52 0.25 0.02 0.00 0.00 177.57 178.60 1j4n h LEU 153 N 0.73 1.09 -0.54 2.57 5.85 -0.61 -1.27 115.31 123.14 1j4n h LEU 153 Ca 0.56 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.15 1j4n h LEU 153 Cb 0.92 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1j4n h LEU 153 CO -0.35 0.86 0.13 0.00 -0.34 0.00 0.00 178.44 178.74 1j4n h VAL 155 N 0.77 1.15 -0.17 0.00 2.07 -0.71 0.46 116.25 119.82 1j4n h VAL 155 Ca 0.17 -0.46 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 1j4n h VAL 155 Cb 0.35 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1j4n h VAL 155 CO 0.00 0.18 -0.76 -0.07 0.02 0.00 0.00 177.57 176.94 1j4n h LEU 156 N 0.53 0.94 -0.32 2.57 3.38 -0.89 -2.59 115.31 118.93 1j4n h LEU 156 Ca 0.13 -0.60 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1j4n h LEU 156 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1j4n h LEU 156 CO -0.01 1.40 -0.71 0.00 0.09 0.00 0.00 178.44 179.21 1j4n h ALA 157 N 0.58 0.49 0.00 1.53 0.00 -1.13 -1.89 119.26 118.85 1j4n h ALA 157 Ca -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1j4n h ALA 157 Cb 1.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1j4n h ALA 157 CO 0.16 0.72 -0.15 1.15 0.00 0.00 0.00 179.25 181.12 1j4n h THR 158 N 0.43 0.47 -0.16 0.00 2.02 -0.90 -2.62 112.91 112.15 1j4n h THR 158 Ca -0.03 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1j4n h THR 158 Cb 1.30 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1j4n h THR 158 CO 0.14 0.15 0.00 1.07 0.37 0.00 0.00 175.52 177.25 1j4n n THR 159 N -3.42 1.70 -0.35 3.16 5.66 -0.98 -4.76 114.28 115.29 1j4n n THR 159 Ca -0.01 -1.66 0.24 0.00 -3.05 0.00 0.00 64.05 59.58 1j4n n THR 159 Cb 0.34 0.03 0.49 0.00 -1.55 0.00 0.00 70.33 69.64 1j4n n THR 159 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1j4n h ASP 160 N 1.06 0.50 0.00 1.09 -0.00 -0.94 -3.46 116.42 114.68 1j4n h ASP 160 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1j4n h ASP 160 Cb 1.02 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.43 1j4n h ASP 160 CO 0.08 -0.04 0.00 -1.14 -0.00 0.00 0.00 179.24 178.14 1j4n n ARG 161 N -4.87 0.00 0.10 0.28 3.00 -1.26 -4.65 116.66 109.25 1j4n n ARG 161 Ca 0.30 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.28 1j4n n ARG 161 Cb 0.97 0.00 0.38 0.00 0.00 0.00 0.00 32.46 33.80 1j4n n ARG 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1j4n n ARG 162 N 0.00 0.26 -2.85 -0.14 1.74 -1.26 -4.85 116.66 109.56 1j4n n ARG 162 Ca 0.00 0.19 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 1j4n n ARG 162 Cb 0.00 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 29.59 1j4n n ARG 162 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j4n s ARG 163 N -3.11 4.28 0.00 5.56 0.52 -1.26 -4.96 118.95 119.99 1j4n s ARG 163 Ca 0.10 1.12 0.06 0.00 -0.52 0.00 0.00 55.73 56.48 1j4n s ARG 163 Cb 0.13 -2.35 0.09 0.00 0.52 0.00 0.00 34.95 33.34 1j4n s ARG 163 CO 0.61 0.06 1.03 0.54 0.02 0.00 0.00 175.30 177.57 1j4n n ARG 164 N -0.33 0.00 -0.04 3.54 1.74 -1.26 -4.79 116.66 115.52 1j4n n ARG 164 Ca 0.05 -1.21 0.03 0.00 -0.77 0.00 0.00 57.85 55.95 1j4n n ARG 164 Cb 0.53 -0.38 0.05 0.00 -1.02 0.00 0.00 32.46 31.63 1j4n n ARG 164 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1j4n n ASP 165 N 0.11 1.88 -4.77 0.55 3.85 -1.26 -5.01 116.55 111.91 1j4n n ASP 165 Ca 0.01 -1.54 -0.38 0.00 -0.71 0.00 0.00 54.79 52.17 1j4n n ASP 165 Cb 0.80 -0.05 -0.00 0.00 -1.35 0.00 0.00 41.12 40.52 1j4n n ASP 165 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1j4n s LEU 166 N -0.69 4.04 -0.03 -2.12 2.01 -1.26 -5.03 118.68 115.61 1j4n s LEU 166 Ca 0.09 2.45 -0.06 0.00 0.01 0.00 0.00 54.13 56.62 1j4n s LEU 166 Cb 0.05 -4.16 0.01 0.00 0.01 0.00 0.00 46.19 42.10 1j4n s LEU 166 CO 0.08 -0.99 0.14 -0.83 1.01 0.00 0.00 176.35 175.76 1j4n s GLY 167 N -1.16 -0.02 0.00 -3.19 0.00 -1.26 -5.11 107.32 96.58 1j4n s GLY 167 Ca 0.63 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1j4n s GLY 167 CO 0.40 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.13 1j4n n GLY 168 N 2.20 -1.70 3.60 0.20 0.00 -1.26 -4.88 105.19 103.34 1j4n n GLY 168 Ca -0.18 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1j4n n GLY 168 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j4n s SER 169 N -4.00 6.34 0.18 1.61 0.15 -1.26 -4.96 113.70 111.76 1j4n s SER 169 Ca 0.00 0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.85 1j4n s SER 169 Cb 0.00 -2.25 0.10 0.00 -1.71 0.00 0.00 66.02 62.16 1j4n s SER 169 CO 0.00 -0.28 1.81 1.23 1.20 0.00 0.00 173.24 177.19 1j4n h GLY 170 N 8.77 0.72 0.60 9.45 0.00 -1.96 -2.38 103.07 118.27 1j4n h GLY 170 Ca -0.30 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 46.84 1j4n h GLY 170 CO 0.70 0.18 -0.18 -2.55 0.00 0.00 0.00 176.54 174.69 1j4n h PRO 171 N 0.59 -0.30 -0.59 4.80 0.11 -1.91 -2.06 132.00 132.64 1j4n h PRO 171 Ca 0.21 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.39 1j4n h PRO 171 Cb 0.04 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 1j4n h PRO 171 CO -0.10 -0.20 0.30 1.25 -0.21 0.00 0.00 178.00 179.04 1j4n h LEU 172 N -0.31 0.43 -0.45 2.35 6.46 -1.78 0.25 115.31 122.26 1j4n h LEU 172 Ca 0.05 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1j4n h LEU 172 Cb 0.37 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1j4n h LEU 172 CO -0.15 0.28 0.30 0.00 -0.62 0.00 0.00 178.44 178.25 1j4n h ALA 173 N 1.32 0.57 -0.35 1.25 0.00 -1.25 0.17 119.26 120.97 1j4n h ALA 173 Ca 0.26 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1j4n h ALA 173 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1j4n h ALA 173 CO -0.18 0.02 -0.16 0.82 0.00 0.00 0.00 179.25 179.75 1j4n h ILE 174 N 0.61 1.25 -0.47 0.00 2.04 -0.77 -1.75 117.51 118.42 1j4n h ILE 174 Ca 0.16 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 1j4n h ILE 174 Cb -0.07 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1j4n h ILE 174 CO -0.04 0.39 0.03 1.23 0.00 0.00 0.00 178.15 179.76 1j4n h GLY 175 N 0.98 0.88 2.00 5.37 0.00 0.03 -1.72 103.07 110.60 1j4n h GLY 175 Ca 0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1j4n h GLY 175 CO 0.04 0.58 -0.21 0.74 0.00 0.00 0.00 176.54 177.69 1j4n h PHE 176 N 0.67 0.00 -0.43 5.60 0.04 -0.27 -0.74 116.94 121.82 1j4n h PHE 176 Ca 0.14 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1j4n h PHE 176 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1j4n h PHE 176 CO 0.03 0.21 -0.08 1.03 -0.60 0.00 0.00 178.31 178.91 1j4n h SER 177 N 0.00 0.81 -0.04 2.17 0.87 -0.88 0.45 113.55 116.93 1j4n h SER 177 Ca -0.00 -0.35 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 1j4n h SER 177 Cb 0.46 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1j4n h SER 177 CO 0.03 0.97 -0.17 0.58 -0.53 0.00 0.00 176.83 177.71 1j4n h VAL 178 N 0.63 1.23 0.02 2.23 2.07 -0.33 -0.27 116.25 121.84 1j4n h VAL 178 Ca 0.11 -1.03 -0.27 0.00 0.82 0.00 0.00 66.70 66.33 1j4n h VAL 178 Cb 0.60 1.25 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1j4n h VAL 178 CO 0.04 0.33 -1.07 0.00 0.02 0.00 0.00 177.57 176.88 1j4n h ALA 179 N 1.47 0.10 -0.90 1.67 0.00 -0.86 -3.13 119.26 117.60 1j4n h ALA 179 Ca 0.06 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1j4n h ALA 179 Cb 0.51 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1j4n h ALA 179 CO 0.03 0.67 0.53 1.25 0.00 0.00 0.00 179.25 181.74 1j4n h LEU 180 N 0.36 0.76 -0.31 0.00 5.85 0.49 -1.06 115.31 121.40 1j4n h LEU 180 Ca -0.14 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1j4n h LEU 180 Cb 1.73 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.62 1j4n h LEU 180 CO 0.21 0.41 0.03 1.23 -0.34 0.00 0.00 178.44 179.98 1j4n h GLY 181 N 0.86 0.33 2.00 3.75 0.00 -1.02 -2.44 103.07 106.55 1j4n h GLY 181 Ca 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.67 1j4n h GLY 181 CO -0.27 -0.04 -0.51 0.45 0.00 0.00 0.00 176.54 176.17 1j4n h HIS 182 N 0.13 0.00 0.00 5.60 3.86 -1.31 0.46 115.15 123.90 1j4n h HIS 182 Ca 0.15 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1j4n h HIS 182 Cb 0.17 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1j4n h HIS 182 CO -0.20 0.51 -0.04 -0.07 0.86 0.00 0.00 177.93 179.00 1j4n h LEU 183 N 0.00 0.00 0.00 2.43 3.38 -0.76 -1.60 115.31 118.76 1j4n h LEU 183 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1j4n h LEU 183 Cb 0.91 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1j4n h LEU 183 CO 0.07 0.04 -1.52 -0.11 0.09 0.00 0.00 178.44 177.00 1j4n n LEU 184 N -3.41 1.89 0.04 1.67 -0.00 -0.80 -4.74 117.00 111.65 1j4n n LEU 184 Ca -0.02 0.42 0.12 0.00 -0.00 0.00 0.00 56.01 56.53 1j4n n LEU 184 Cb 0.15 -0.87 0.19 0.00 -0.00 0.00 0.00 43.42 42.89 1j4n n LEU 184 CO 0.25 0.17 0.35 0.00 -0.00 0.00 0.00 177.39 178.17 1j4n n ALA 185 N -3.87 3.17 -0.12 1.96 0.00 0.09 -4.49 120.51 117.25 1j4n n ALA 185 Ca -0.33 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 1j4n n ALA 185 Cb 0.66 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.98 1j4n n ALA 185 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j4n h ILE 186 N 0.00 0.49 -0.09 0.00 2.04 -1.51 -1.66 117.51 116.77 1j4n h ILE 186 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1j4n h ILE 186 Cb 0.66 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1j4n h ILE 186 CO 0.00 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.64 1j4n h ASP 187 N -0.08 0.12 0.44 1.72 3.45 -1.83 -0.12 116.42 120.12 1j4n h ASP 187 Ca 0.19 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1j4n h ASP 187 Cb 0.38 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1j4n h ASP 187 CO -0.45 0.17 -0.21 1.88 -1.57 0.00 0.00 179.24 179.06 1j4n h TYR 188 N 0.06 -0.55 -0.02 4.55 0.05 -1.76 -3.40 116.97 115.89 1j4n h TYR 188 Ca 0.03 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1j4n h TYR 188 Cb 0.08 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1j4n h TYR 188 CO -0.04 -0.34 0.00 0.25 -1.05 0.00 0.00 178.16 176.97 1j4n n THR 189 N -4.18 0.96 -0.99 -2.88 -2.24 -0.76 -1.56 114.28 102.63 1j4n n THR 189 Ca -0.07 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1j4n n THR 189 Cb 0.23 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1j4n n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4n n GLY 190 N -0.41 0.68 2.04 3.38 0.00 -0.06 -3.33 105.19 107.49 1j4n n GLY 190 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1j4n n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4n n GLY 192 N 1.85 -0.14 2.34 0.00 0.00 -1.26 -4.94 105.19 103.03 1j4n n GLY 192 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1j4n n GLY 192 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1j4n n ILE 193 N -2.86 0.00 -2.85 -0.61 -5.35 -1.26 -4.72 119.36 101.71 1j4n n ILE 193 Ca -0.01 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1j4n n ILE 193 Cb 0.05 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 37.94 1j4n n ILE 193 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1j4n s ASN 194 N -1.81 -0.74 0.25 7.28 3.84 -1.26 -4.78 114.94 117.71 1j4n s ASN 194 Ca 0.03 -0.56 -0.07 0.00 0.21 0.00 0.00 52.86 52.47 1j4n s ASN 194 Cb -0.02 0.96 0.40 0.00 -0.55 0.00 0.00 41.25 42.05 1j4n s ASN 194 CO 0.04 -0.06 1.38 -2.65 -2.79 0.00 0.00 177.10 173.01 1j4n n PRO 195 N 3.50 -0.08 -0.19 0.43 -0.02 -1.24 -0.34 135.00 137.07 1j4n n PRO 195 Ca 0.10 1.38 -0.01 0.00 -2.02 0.00 0.00 63.50 62.95 1j4n n PRO 195 Cb 0.61 -2.06 0.22 0.00 -0.02 0.00 0.00 33.50 32.25 1j4n n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j4n h ALA 196 N 1.76 1.37 -0.20 3.55 0.00 -1.94 0.88 119.26 124.68 1j4n h ALA 196 Ca 0.42 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1j4n h ALA 196 Cb 0.64 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j4n h ALA 196 CO -0.91 0.52 -0.19 -0.09 0.00 0.00 0.00 179.25 178.57 1j4n h ARG 197 N 0.95 0.49 0.50 0.00 1.12 -1.04 -0.70 114.38 115.69 1j4n h ARG 197 Ca 0.24 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1j4n h ARG 197 Cb 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1j4n h ARG 197 CO -0.04 0.83 -0.24 0.77 -3.11 0.00 0.00 179.97 178.18 1j4n h SER 198 N 0.16 -0.56 -0.76 -3.80 0.02 -1.20 -3.06 113.55 104.35 1j4n h SER 198 Ca 0.03 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.17 1j4n h SER 198 Cb 0.73 0.15 -0.13 0.00 0.14 0.00 0.00 62.40 63.29 1j4n h SER 198 CO 0.05 -0.39 0.08 0.15 -1.14 0.00 0.00 176.83 175.57 1j4n h PHE 199 N -0.68 0.08 -0.82 3.45 3.57 -0.79 -1.10 116.94 120.64 1j4n h PHE 199 Ca -0.07 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1j4n h PHE 199 Cb 0.52 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1j4n h PHE 199 CO -0.04 -0.20 0.54 0.78 -2.23 0.00 0.00 178.31 177.16 1j4n h GLY 200 N 0.16 1.12 0.61 2.40 0.00 -1.02 -2.08 103.07 104.27 1j4n h GLY 200 Ca 0.43 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 1j4n h GLY 200 CO -0.62 0.19 -0.71 1.76 0.00 0.00 0.00 176.54 177.16 1j4n h SER 201 N 0.79 0.42 0.08 0.19 0.02 -1.22 -3.19 113.55 110.63 1j4n h SER 201 Ca 0.38 -0.95 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1j4n h SER 201 Cb 0.42 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1j4n h SER 201 CO -0.15 1.34 -0.01 0.77 -1.14 0.00 0.00 176.83 177.64 1j4n h SER 202 N -0.43 0.00 0.07 3.07 4.64 -1.17 -2.44 113.55 117.29 1j4n h SER 202 Ca -0.12 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 1j4n h SER 202 Cb 1.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 1j4n h SER 202 CO 0.13 0.01 -1.04 -0.37 -0.87 0.00 0.00 176.83 174.69 1j4n h VAL 203 N 0.00 1.21 0.00 0.95 -1.51 -1.46 -0.75 116.25 114.69 1j4n h VAL 203 Ca -0.00 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.11 1j4n h VAL 203 Cb 0.05 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1j4n h VAL 203 CO 0.00 0.61 0.00 -0.38 -1.23 0.00 0.00 177.57 176.57 1j4n n ILE 204 N -4.18 0.00 -0.42 7.19 2.08 -1.12 -1.96 119.36 120.95 1j4n n ILE 204 Ca -0.22 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1j4n n ILE 204 Cb 0.77 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.97 1j4n n ILE 204 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1j4n n THR 205 N -0.96 0.11 -1.60 1.39 -1.04 -0.93 -5.00 114.28 106.25 1j4n n THR 205 Ca 0.12 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.05 61.71 1j4n n THR 205 Cb 0.06 1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 69.82 1j4n n THR 205 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1j4n n HIS 206 N -0.06 -0.95 -3.68 -1.42 8.25 -0.40 -4.88 115.22 112.08 1j4n n HIS 206 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1j4n n HIS 206 Cb 0.15 -1.95 -0.11 0.00 1.12 0.00 0.00 29.99 29.20 1j4n n HIS 206 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j4n s ASN 207 N -1.75 5.45 -0.20 0.41 3.84 -0.55 -4.91 114.94 117.23 1j4n s ASN 207 Ca 0.00 -1.56 0.15 0.00 0.21 0.00 0.00 52.86 51.66 1j4n s ASN 207 Cb 0.00 -1.92 0.52 0.00 -0.55 0.00 0.00 41.25 39.31 1j4n s ASN 207 CO 0.00 -0.49 1.43 0.49 -2.79 0.00 0.00 177.10 175.74 1j4n n PHE 208 N 4.81 0.97 -1.54 0.43 3.01 -1.26 -4.48 117.46 119.41 1j4n n PHE 208 Ca -0.09 -1.04 -0.48 0.00 1.01 0.00 0.00 57.45 56.86 1j4n n PHE 208 Cb 0.43 -0.35 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 1j4n n PHE 208 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1j4n n GLN 209 N -0.68 1.56 -0.68 -1.08 -0.06 -1.26 -1.15 117.38 114.04 1j4n n GLN 209 Ca 0.24 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.70 1j4n n GLN 209 Cb 0.93 -2.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.36 1j4n n GLN 209 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1j4n n ASP 210 N 9.88 -0.81 0.17 1.69 8.00 -1.26 -4.80 116.55 129.43 1j4n n ASP 210 Ca 0.34 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.92 1j4n n ASP 210 Cb 0.31 -2.03 0.14 0.00 -0.02 0.00 0.00 41.12 39.52 1j4n n ASP 210 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1j4n h HIS 211 N 0.00 0.00 -0.61 1.24 -0.00 -1.48 0.29 115.15 114.59 1j4n h HIS 211 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1j4n h HIS 211 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1j4n h HIS 211 CO 0.07 0.00 0.21 0.11 -0.00 0.00 0.00 177.93 178.32 1j4n h TRP 212 N 0.00 0.92 0.00 5.26 5.08 -1.87 -2.45 115.95 122.89 1j4n h TRP 212 Ca 0.14 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.05 1j4n h TRP 212 Cb 2.26 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 28.14 1j4n h TRP 212 CO 0.00 0.73 0.07 0.97 -1.28 0.00 0.00 178.44 178.92 1j4n h ILE 213 N 0.88 0.00 -0.42 0.12 2.10 -0.82 -1.24 117.51 118.13 1j4n h ILE 213 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.14 1j4n h ILE 213 Cb 0.23 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1j4n h ILE 213 CO -0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.55 1j4n n PHE 214 N -2.63 0.85 0.00 2.19 0.99 -0.92 -2.38 117.46 115.56 1j4n n PHE 214 Ca -0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 57.45 57.08 1j4n n PHE 214 Cb 0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 39.48 38.46 1j4n n PHE 214 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1j4n n TRP 215 N 0.66 -0.05 -0.20 1.38 7.02 -0.53 -3.61 117.44 122.11 1j4n n TRP 215 Ca 0.16 0.01 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 1j4n n TRP 215 Cb 0.54 0.24 0.09 0.00 -2.42 0.00 0.00 31.31 29.77 1j4n n TRP 215 CO 0.00 0.00 0.00 -0.24 -2.02 0.00 0.00 177.69 175.43 1j4n h VAL 216 N 0.00 1.25 0.10 -0.99 3.04 -1.56 -1.00 116.25 117.10 1j4n h VAL 216 Ca 0.00 -0.97 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 1j4n h VAL 216 Cb 0.50 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1j4n h VAL 216 CO 0.00 0.36 -0.05 1.23 -1.01 0.00 0.00 177.57 178.10 1j4n h GLY 217 N 1.04 -0.15 0.61 3.17 0.00 -1.70 -1.70 103.07 104.35 1j4n h GLY 217 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1j4n h GLY 217 CO 0.01 -0.05 -0.15 -0.56 0.00 0.00 0.00 176.54 175.79 1j4n h PRO 218 N -0.50 -0.39 -1.01 4.80 0.13 -1.73 -1.01 132.00 132.28 1j4n h PRO 218 Ca -0.01 0.03 0.27 0.00 -0.87 0.00 0.00 66.00 65.41 1j4n h PRO 218 Cb 0.41 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.57 1j4n h PRO 218 CO 0.02 -0.06 0.69 0.74 -0.23 0.00 0.00 178.00 179.17 1j4n h PHE 219 N -0.80 0.30 0.08 1.56 -1.00 -1.30 0.52 116.94 116.30 1j4n h PHE 219 Ca -0.04 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1j4n h PHE 219 Cb 0.51 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1j4n h PHE 219 CO 0.03 0.04 -0.04 0.82 -1.61 0.00 0.00 178.31 177.56 1j4n h ILE 220 N 0.20 1.20 -0.88 -0.55 2.04 -1.19 -2.15 117.51 116.17 1j4n h ILE 220 Ca 0.52 -1.25 0.16 0.00 1.00 0.00 0.00 64.86 65.28 1j4n h ILE 220 Cb 1.68 1.97 -0.10 0.00 -0.74 0.00 0.00 36.82 39.64 1j4n h ILE 220 CO -0.13 0.30 0.47 1.23 0.00 0.00 0.00 178.15 180.01 1j4n h GLY 221 N -0.70 1.46 0.86 5.37 0.00 0.79 0.38 103.07 111.23 1j4n h GLY 221 Ca -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1j4n h GLY 221 CO 0.02 -0.05 0.22 0.00 0.00 0.00 0.00 176.54 176.73 1j4n h ALA 222 N 1.58 0.50 -0.40 3.60 0.00 -0.13 0.24 119.26 124.65 1j4n h ALA 222 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1j4n h ALA 222 Cb 0.71 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1j4n h ALA 222 CO -0.37 -0.13 0.14 0.00 0.00 0.00 0.00 179.25 178.89 1j4n h ALA 223 N 1.19 0.47 0.00 0.00 0.00 0.32 0.14 119.26 121.37 1j4n h ALA 223 Ca 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1j4n h ALA 223 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j4n h ALA 223 CO -0.09 -0.25 -0.14 -0.07 0.00 0.00 0.00 179.25 178.70 1j4n h LEU 224 N 0.30 0.00 0.56 0.00 -0.00 -0.32 -1.28 115.31 114.58 1j4n h LEU 224 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.04 1j4n h LEU 224 Cb 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1j4n h LEU 224 CO -0.19 0.14 -0.27 0.00 -0.00 0.00 0.00 178.44 178.12 1j4n h ALA 225 N 1.86 -0.84 -0.70 1.53 0.00 0.13 -1.53 119.26 119.70 1j4n h ALA 225 Ca -0.00 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1j4n h ALA 225 Cb 0.26 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1j4n h ALA 225 CO 0.02 -0.78 0.47 0.28 0.00 0.00 0.00 179.25 179.23 1j4n h VAL 226 N -1.07 0.88 -0.23 0.00 2.07 -0.96 -0.67 116.25 116.28 1j4n h VAL 226 Ca -0.08 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1j4n h VAL 226 Cb 0.58 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1j4n h VAL 226 CO 0.13 0.09 -0.05 0.25 0.02 0.00 0.00 177.57 178.01 1j4n h LEU 227 N 0.51 0.44 -0.50 2.57 5.85 -1.22 -1.54 115.31 121.42 1j4n h LEU 227 Ca 0.33 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 1j4n h LEU 227 Cb 0.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1j4n h LEU 227 CO -0.11 0.70 -0.32 0.40 -0.34 0.00 0.00 178.44 178.78 1j4n h ILE 228 N 0.17 1.27 0.00 4.05 2.04 -0.46 -2.35 117.51 122.24 1j4n h ILE 228 Ca 0.06 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1j4n h ILE 228 Cb 0.51 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1j4n h ILE 228 CO 0.02 0.50 -0.30 0.22 0.00 0.00 0.00 178.15 178.59 1j4n h TYR 229 N 0.74 0.00 0.00 1.37 3.20 -1.21 0.12 116.97 121.18 1j4n h TYR 229 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1j4n h TYR 229 Cb 0.88 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1j4n h TYR 229 CO 0.05 0.86 0.00 -0.44 -1.64 0.00 0.00 178.16 176.99 1j4n h ASP 230 N -1.00 0.00 0.00 -2.11 5.19 -1.42 0.81 116.42 117.89 1j4n h ASP 230 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1j4n h ASP 230 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1j4n h ASP 230 CO -0.05 0.00 -0.65 0.49 -3.12 0.00 0.00 179.24 175.92 1j4n n PHE 231 N -3.04 0.00 -0.12 4.55 3.01 -0.90 -3.91 117.46 117.05 1j4n n PHE 231 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.21 1j4n n PHE 231 Cb 0.33 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.71 1j4n n PHE 231 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1j4n n ILE 232 N -1.17 1.37 -0.10 4.37 5.41 -1.14 -4.77 119.36 123.33 1j4n n ILE 232 Ca 0.00 -0.33 -0.19 0.00 1.00 0.00 0.00 62.75 63.23 1j4n n ILE 232 Cb 0.13 -1.86 -0.12 0.00 -0.71 0.00 0.00 39.64 37.08 1j4n n ILE 232 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1j4n n LEU 233 N -4.13 2.86 -3.46 1.39 4.77 0.40 -4.82 117.00 114.01 1j4n n LEU 233 Ca -0.48 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.19 1j4n n LEU 233 Cb 0.83 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1j4n n LEU 233 CO 0.03 0.90 -0.23 0.00 -1.33 0.00 0.00 177.39 176.76 1j4n n ALA 234 N -3.25 2.98 -1.83 -1.18 0.00 0.28 -5.04 120.51 112.46 1j4n n ALA 234 Ca -0.44 -3.54 -0.34 0.00 0.00 0.00 0.00 53.44 49.13 1j4n n ALA 234 Cb 0.99 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 1j4n n ALA 234 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1j4n s PRO 235 N -0.61 4.28 0.16 0.00 0.02 -1.24 -4.05 135.00 133.57 1j4n s PRO 235 Ca 0.32 1.13 -0.13 0.00 0.02 0.00 0.00 61.00 62.34 1j4n s PRO 235 Cb 0.05 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 1j4n s PRO 235 CO -0.17 0.03 0.55 1.03 -0.33 0.00 0.00 177.00 178.11 1j4n s ARG 236 N -2.99 3.95 -0.06 5.54 3.00 -1.26 -4.97 118.95 122.16 1j4n s ARG 236 Ca 0.60 0.46 0.05 0.00 0.00 0.00 0.00 55.73 56.83 1j4n s ARG 236 Cb -0.11 -2.87 0.25 0.00 0.00 0.00 0.00 34.95 32.23 1j4n s ARG 236 CO 0.15 0.44 0.96 0.43 0.00 0.00 0.00 175.30 177.28 1j4n n SER 237 N 0.61 2.25 -4.91 0.23 7.64 -1.26 -4.87 113.62 113.30 1j4n n SER 237 Ca -0.04 -2.23 -0.21 0.00 1.01 0.00 0.00 58.87 57.40 1j4n n SER 237 Cb 0.52 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1j4n n SER 237 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j4n s SER 238 N -0.41 5.77 0.50 6.43 1.04 -1.26 -5.11 113.70 120.66 1j4n s SER 238 Ca 0.17 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.30 1j4n s SER 238 Cb 0.12 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 1j4n s SER 238 CO 0.06 -0.25 0.85 -0.62 0.98 0.00 0.00 173.24 174.26 1j4n s ASP 239 N -4.01 6.30 0.09 7.02 2.15 -1.26 -5.00 116.67 121.95 1j4n s ASP 239 Ca 0.39 1.10 -0.27 0.00 0.43 0.00 0.00 52.55 54.20 1j4n s ASP 239 Cb -0.08 -2.32 -0.16 0.00 -0.30 0.00 0.00 42.92 40.06 1j4n s ASP 239 CO 0.28 -0.62 1.69 0.25 -0.17 0.00 0.00 175.17 176.60 1j4n h LEU 240 N 0.26 -0.34 -1.65 -1.34 5.85 -1.99 -2.99 115.31 113.11 1j4n h LEU 240 Ca -0.46 0.02 0.40 0.00 0.84 0.00 0.00 57.88 58.68 1j4n h LEU 240 Cb 1.20 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.23 1j4n h LEU 240 CO 0.62 -0.23 0.91 0.71 -0.34 0.00 0.00 178.44 180.11 1j4n h THR 241 N -0.37 0.26 0.04 1.05 1.35 -2.00 0.24 112.91 113.48 1j4n h THR 241 Ca -0.03 -0.04 -0.26 0.00 -0.55 0.00 0.00 66.41 65.53 1j4n h THR 241 Cb 0.30 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.83 1j4n h THR 241 CO 0.04 0.02 -1.35 -2.24 -0.25 0.00 0.00 175.52 171.74 1j4n h ASP 242 N 0.11 0.15 -0.26 5.36 3.04 -1.94 -3.29 116.42 119.60 1j4n h ASP 242 Ca 0.73 -0.20 -0.03 0.00 -3.24 0.00 0.00 57.03 54.29 1j4n h ASP 242 Cb 2.49 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 40.72 1j4n h ASP 242 CO -0.22 1.16 0.05 0.03 -2.04 0.00 0.00 179.24 178.23 1j4n h ARG 243 N 0.03 0.42 -1.06 4.15 3.08 -0.47 -2.62 114.38 117.91 1j4n h ARG 243 Ca -0.16 -0.11 0.28 0.00 0.07 0.00 0.00 59.98 60.07 1j4n h ARG 243 Cb 1.92 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.83 1j4n h ARG 243 CO 0.13 0.53 0.70 0.28 -1.07 0.00 0.00 179.97 180.55 1j4n h VAL 244 N 0.24 0.50 -1.20 2.04 2.07 -1.31 0.11 116.25 118.70 1j4n h VAL 244 Ca 0.08 -0.10 0.35 0.00 0.82 0.00 0.00 66.70 67.85 1j4n h VAL 244 Cb 0.31 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 1j4n h VAL 244 CO 0.00 0.05 0.81 0.11 0.02 0.00 0.00 177.57 178.56 1j4n h LYS 245 N 0.28 0.19 0.00 1.57 1.57 -1.53 0.93 116.57 119.58 1j4n h LYS 245 Ca 0.57 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1j4n h LYS 245 Cb 1.67 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1j4n h LYS 245 CO -0.21 0.12 -0.01 0.28 -0.57 0.00 0.00 179.45 179.05 1j4n h VAL 246 N 0.19 0.45 -0.93 0.50 2.07 -0.93 -2.69 116.25 114.91 1j4n h VAL 246 Ca 0.67 -0.07 0.23 0.00 0.82 0.00 0.00 66.70 68.35 1j4n h VAL 246 Cb 2.11 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1j4n h VAL 246 CO -0.24 0.01 0.63 -0.25 0.02 0.00 0.00 177.57 177.74 1j4n h TRP 247 N 0.00 0.41 0.00 1.57 2.91 0.74 -2.97 115.95 118.61 1j4n h TRP 247 Ca -0.00 0.01 -0.27 0.00 1.13 0.00 0.00 58.89 59.76 1j4n h TRP 247 Cb 0.04 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 28.53 1j4n h TRP 247 CO 0.00 0.09 -1.51 2.41 -1.03 0.00 0.00 178.44 178.40 1j4n n THR 248 N -4.46 1.53 -1.03 2.65 -1.04 -1.01 -2.69 114.28 108.23 1j4n n THR 248 Ca 0.20 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1j4n n THR 248 Cb 0.81 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1j4n n THR 248 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23