#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjm n PRO 2 N 0.00 0.37 -3.88 0.00 -0.02 -1.26 -5.03 135.00 125.19 1qjm n PRO 2 Ca 0.00 0.16 -0.21 0.00 -2.02 0.00 0.00 63.50 61.43 1qjm n PRO 2 Cb 0.00 -1.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1qjm n PRO 2 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1qjm s ARG 3 N -2.50 0.58 0.85 -0.52 6.06 -1.26 -5.15 118.95 117.01 1qjm s ARG 3 Ca 0.66 0.07 -0.18 0.00 -2.50 0.00 0.00 55.73 53.78 1qjm s ARG 3 Cb -0.38 -0.85 -0.09 0.00 0.06 0.00 0.00 34.95 33.69 1qjm s ARG 3 CO 0.57 -0.23 -0.86 1.17 -2.50 0.00 0.00 175.30 173.45 1qjm n LYS 4 N 4.76 -0.25 -3.56 5.12 3.00 -1.26 -4.99 118.16 120.98 1qjm n LYS 4 Ca -0.14 -0.07 -0.35 0.00 -0.00 0.00 0.00 58.31 57.75 1qjm n LYS 4 Cb 0.50 -1.08 -0.05 0.00 0.00 0.00 0.00 35.03 34.40 1qjm n LYS 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1qjm s SER 5 N -1.12 6.66 -0.12 3.14 1.04 -1.26 -4.89 113.70 117.15 1qjm s SER 5 Ca 0.26 0.81 -0.29 0.00 0.48 0.00 0.00 55.95 57.21 1qjm s SER 5 Cb 0.05 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 1qjm s SER 5 CO 0.44 0.17 1.32 -0.69 0.98 0.00 0.00 173.24 175.46 1qjm s VAL 6 N -1.39 4.13 -0.42 5.02 1.01 -1.21 -4.93 120.40 122.62 1qjm s VAL 6 Ca 0.33 1.40 -0.24 0.00 0.00 0.00 0.00 61.98 63.47 1qjm s VAL 6 Cb -0.14 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1qjm s VAL 6 CO 0.18 -0.10 0.83 -0.13 0.00 0.00 0.00 175.10 175.88 1qjm s ARG 7 N 3.32 3.57 -0.24 2.72 0.52 -1.26 -2.20 118.95 125.38 1qjm s ARG 7 Ca 0.58 0.13 -0.13 0.00 -0.52 0.00 0.00 55.73 55.79 1qjm s ARG 7 Cb -0.24 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.29 1qjm s ARG 7 CO 0.19 -1.06 0.29 -0.46 0.02 0.00 0.00 175.30 174.28 1qjm s TRP 8 N 3.37 3.31 -0.91 -0.53 -0.11 0.28 -1.95 118.94 122.40 1qjm s TRP 8 Ca 0.33 0.38 -0.25 0.00 1.22 0.00 0.00 56.10 57.79 1qjm s TRP 8 Cb -0.12 -2.43 0.04 0.00 -1.50 0.00 0.00 33.47 29.46 1qjm s TRP 8 CO 0.22 -0.04 1.38 0.00 -4.62 0.00 0.00 176.95 173.89 1qjm s THR 10 N 5.29 2.67 0.00 0.00 -4.23 -1.12 -4.82 115.64 113.44 1qjm s THR 10 Ca 0.42 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1qjm s THR 10 Cb -0.03 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1qjm s THR 10 CO -0.00 -0.29 0.18 2.30 -0.54 0.00 0.00 174.62 176.27 1qjm n ILE 11 N -3.35 0.00 -3.62 2.99 -5.35 -1.26 -3.14 119.36 105.62 1qjm n ILE 11 Ca 0.07 -0.37 -0.08 0.00 -0.27 0.00 0.00 62.75 62.10 1qjm n ILE 11 Cb 0.58 1.12 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 1qjm n ILE 11 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1qjm s SER 12 N -0.39 -0.36 0.23 7.28 1.04 -1.26 -4.18 113.70 116.05 1qjm s SER 12 Ca 0.00 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.06 1qjm s SER 12 Cb 0.00 0.56 0.28 0.00 0.10 0.00 0.00 66.02 66.96 1qjm s SER 12 CO 0.00 -0.98 1.60 -0.65 0.98 0.00 0.00 173.24 174.20 1qjm h PRO 13 N 2.00 -0.02 -0.99 4.02 0.11 -1.97 -1.17 132.00 133.99 1qjm h PRO 13 Ca -0.25 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.98 1qjm h PRO 13 Cb 1.26 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1qjm h PRO 13 CO 0.30 -0.01 -0.48 0.00 -0.21 0.00 0.00 178.00 177.59 1qjm h ALA 14 N 1.64 -0.17 -0.85 -0.75 0.00 -1.95 -1.00 119.26 116.17 1qjm h ALA 14 Ca 0.34 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.56 1qjm h ALA 14 Cb 0.55 1.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 1qjm h ALA 14 CO -0.76 -0.78 0.48 1.49 0.00 0.00 0.00 179.25 179.68 1qjm h GLU 15 N -0.01 0.76 0.76 0.00 4.81 -1.59 -2.27 114.58 117.04 1qjm h GLU 15 Ca 0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1qjm h GLU 15 Cb 0.51 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1qjm h GLU 15 CO -0.96 0.50 -0.39 0.00 -0.73 0.00 0.00 179.01 177.43 1qjm h ALA 16 N 1.49 -1.06 -0.65 2.92 0.00 -1.05 1.09 119.26 122.00 1qjm h ALA 16 Ca 0.42 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1qjm h ALA 16 Cb 0.44 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1qjm h ALA 16 CO -0.27 -1.10 -0.23 0.00 0.00 0.00 0.00 179.25 177.65 1qjm h ALA 17 N -0.82 0.28 0.51 0.00 0.00 -1.07 1.83 119.26 119.99 1qjm h ALA 17 Ca -0.10 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1qjm h ALA 17 Cb 0.82 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1qjm h ALA 17 CO 0.15 -0.51 -0.31 -0.22 0.00 0.00 0.00 179.25 178.36 1qjm h LYS 18 N -0.06 -0.75 -1.01 0.00 3.64 -0.91 -1.10 116.57 116.38 1qjm h LYS 18 Ca 0.30 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.95 1qjm h LYS 18 Cb 0.52 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 1qjm h LYS 18 CO -0.70 -0.50 0.61 0.00 -2.27 0.00 0.00 179.45 176.59 1qjm n ALA 20 N -2.33 -0.07 -0.39 0.00 0.00 0.55 -1.01 120.51 117.26 1qjm n ALA 20 Ca 0.25 0.00 0.34 0.00 0.00 0.00 0.00 53.44 54.03 1qjm n ALA 20 Cb 0.68 0.15 0.59 0.00 0.00 0.00 0.00 19.45 20.86 1qjm n ALA 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qjm n LYS 21 N -1.20 -0.04 0.25 0.00 4.81 -0.07 0.21 118.16 122.12 1qjm n LYS 21 Ca 0.00 1.16 -0.14 0.00 -0.87 0.00 0.00 58.31 58.46 1qjm n LYS 21 Cb 0.00 -2.23 -0.08 0.00 0.02 0.00 0.00 35.03 32.74 1qjm n LYS 21 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1qjm h PHE 22 N 0.00 -0.59 -0.74 5.64 3.57 -0.86 0.13 116.94 124.09 1qjm h PHE 22 Ca 0.79 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.43 1qjm h PHE 22 Cb 2.41 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 41.24 1qjm h PHE 22 CO -0.01 -0.27 0.21 0.37 -2.23 0.00 0.00 178.31 176.38 1qjm h GLN 23 N -0.90 0.30 0.02 1.11 4.15 0.42 0.27 115.11 120.48 1qjm h GLN 23 Ca -0.07 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1qjm h GLN 23 Cb 0.58 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1qjm h GLN 23 CO 0.11 0.20 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.10 1qjm h ARG 24 N 0.31 -0.02 -1.01 1.69 2.43 -1.47 -2.08 114.38 114.23 1qjm h ARG 24 Ca 0.42 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.82 1qjm h ARG 24 Cb 0.70 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.13 1qjm h ARG 24 CO -0.49 0.55 0.61 -0.91 -1.51 0.00 0.00 179.97 178.22 1qjm h ASN 25 N -0.62 0.68 0.37 -3.80 4.21 0.05 0.30 115.58 116.76 1qjm h ASN 25 Ca -0.00 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 1qjm h ASN 25 Cb 0.59 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1qjm h ASN 25 CO 0.00 0.14 -0.28 -0.03 -1.29 0.00 0.00 177.43 175.97 1qjm h MET 26 N 0.60 -0.62 -0.52 0.81 4.05 -0.31 -0.03 114.93 118.91 1qjm h MET 26 Ca 0.63 0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.99 1qjm h MET 26 Cb 1.19 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 32.11 1qjm h MET 26 CO -0.44 -0.42 -0.07 -0.22 0.23 0.00 0.00 176.91 175.99 1qjm h LYS 27 N -0.65 0.98 -0.14 0.39 3.11 -0.33 -0.77 116.57 119.16 1qjm h LYS 27 Ca -0.03 -0.35 0.04 0.00 -2.81 0.00 0.00 60.65 57.50 1qjm h LYS 27 Cb 0.56 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1qjm h LYS 27 CO -0.00 1.02 0.24 -0.22 -2.81 0.00 0.00 179.45 177.68 1qjm h LYS 28 N 0.85 0.00 0.00 1.90 3.64 0.40 0.11 116.57 123.47 1qjm h LYS 28 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1qjm h LYS 28 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1qjm h LYS 28 CO 0.04 0.00 -0.60 0.28 -2.27 0.00 0.00 179.45 176.90 1qjm h VAL 29 N 0.00 0.00 -4.41 2.00 2.07 0.45 -3.49 116.25 112.88 1qjm h VAL 29 Ca 0.07 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.74 1qjm h VAL 29 Cb 0.56 1.34 0.12 0.00 -1.52 0.00 0.00 31.29 31.78 1qjm h VAL 29 CO -0.00 0.00 -0.50 0.54 0.02 0.00 0.00 177.57 177.63 1qjm n ARG 30 N -2.41 -1.56 -4.32 1.57 1.74 0.38 -5.05 116.66 107.01 1qjm n ARG 30 Ca 0.03 0.51 -0.17 0.00 -0.77 0.00 0.00 57.85 57.45 1qjm n ARG 30 Cb 0.48 -4.08 -0.10 0.00 -1.02 0.00 0.00 32.46 27.74 1qjm n ARG 30 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qjm s GLY 31 N -3.28 1.68 0.27 -0.13 0.00 -1.15 -5.05 107.32 99.66 1qjm s GLY 31 Ca 0.24 -1.84 -0.27 0.00 0.00 0.00 0.00 44.72 42.86 1qjm s GLY 31 CO 0.43 -1.61 0.70 -1.05 0.00 0.00 0.00 173.10 171.58 1qjm n PRO 32 N -0.45 0.61 -2.21 2.90 -0.02 -1.26 -4.66 135.00 129.92 1qjm n PRO 32 Ca -0.02 0.22 -0.27 0.00 -2.02 0.00 0.00 63.50 61.41 1qjm n PRO 32 Cb 0.66 -1.40 0.05 0.00 -0.02 0.00 0.00 33.50 32.79 1qjm n PRO 32 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qjm s SER 33 N -0.82 5.25 0.39 2.55 1.04 -1.26 -4.82 113.70 116.03 1qjm s SER 33 Ca 0.62 0.72 0.06 0.00 0.48 0.00 0.00 55.95 57.82 1qjm s SER 33 Cb -0.79 -1.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 1qjm s SER 33 CO 0.58 -1.34 0.21 -0.69 0.98 0.00 0.00 173.24 172.98 1qjm s VAL 34 N -3.18 0.29 -0.10 5.02 1.01 -1.26 -3.28 120.40 118.89 1qjm s VAL 34 Ca 0.57 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.25 1qjm s VAL 34 Cb -0.11 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.03 1qjm s VAL 34 CO 0.46 0.00 0.98 -0.55 0.00 0.00 0.00 175.10 175.99 1qjm s SER 35 N -3.54 -0.34 -0.17 3.32 0.15 -0.94 -4.86 113.70 107.32 1qjm s SER 35 Ca 0.29 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.15 1qjm s SER 35 Cb 0.01 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1qjm s SER 35 CO 0.21 -0.44 -0.19 0.00 1.20 0.00 0.00 173.24 174.02 1qjm s ILE 37 N 1.31 3.45 -0.12 0.00 -1.09 -0.29 -4.93 121.20 119.54 1qjm s ILE 37 Ca 0.05 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1qjm s ILE 37 Cb -0.13 -3.36 0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1qjm s ILE 37 CO -0.12 -0.34 -0.04 -0.13 -1.23 0.00 0.00 174.94 173.08 1qjm s ARG 38 N -4.92 1.16 0.00 2.79 0.52 -1.26 -2.80 118.95 114.44 1qjm s ARG 38 Ca 0.54 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1qjm s ARG 38 Cb -0.10 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.86 1qjm s ARG 38 CO 0.43 -0.34 0.00 1.63 0.02 0.00 0.00 175.30 177.05 1qjm n LYS 39 N 5.00 2.03 -0.00 3.54 4.76 -1.19 -5.02 118.16 127.29 1qjm n LYS 39 Ca -0.10 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.37 1qjm n LYS 39 Cb 0.49 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.64 1qjm n LYS 39 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1qjm n THR 40 N 0.00 0.00 -3.59 -0.18 -2.24 -1.26 -4.28 114.28 102.73 1qjm n THR 40 Ca 0.00 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1qjm n THR 40 Cb 0.00 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1qjm n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qjm s SER 41 N -1.81 -0.41 0.13 3.42 1.04 -1.26 -4.61 113.70 110.21 1qjm s SER 41 Ca 0.02 -0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.00 1qjm s SER 41 Cb 0.05 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1qjm s SER 41 CO 0.29 -1.03 1.69 0.28 0.98 0.00 0.00 173.24 175.45 1qjm h SER 42 N 2.10 -0.29 -0.99 7.02 0.02 -1.92 1.02 113.55 120.50 1qjm h SER 42 Ca -0.31 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1qjm h SER 42 Cb 1.28 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.91 1qjm h SER 42 CO 0.37 -0.12 0.63 -0.26 -1.14 0.00 0.00 176.83 176.31 1qjm h PHE 43 N -0.06 1.13 0.43 3.45 -1.00 -1.95 0.16 116.94 119.08 1qjm h PHE 43 Ca 0.10 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1qjm h PHE 43 Cb 0.22 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1qjm h PHE 43 CO -0.24 0.48 -0.21 0.93 -1.61 0.00 0.00 178.31 177.67 1qjm h GLU 44 N 1.02 -0.55 -0.80 1.51 5.08 -0.73 -2.69 114.58 117.42 1qjm h GLU 44 Ca 0.47 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 59.17 1qjm h GLU 44 Cb 0.42 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1qjm h GLU 44 CO -0.23 -0.25 0.29 0.00 -1.00 0.00 0.00 179.01 177.82 1qjm h ILE 46 N 0.00 0.00 -0.73 0.00 2.04 -0.90 -1.85 117.51 116.07 1qjm h ILE 46 Ca 0.61 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.62 1qjm h ILE 46 Cb 1.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.50 1qjm h ILE 46 CO -0.66 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.29 1qjm h GLN 47 N -0.26 0.35 0.31 2.37 4.20 -0.18 0.17 115.11 122.07 1qjm h GLN 47 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qjm h GLN 47 Cb 0.32 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1qjm h GLN 47 CO -0.23 0.23 -0.47 0.00 -0.67 0.00 0.00 178.83 177.69 1qjm h ALA 48 N 1.56 -0.97 -0.77 3.87 0.00 -0.93 0.47 119.26 122.50 1qjm h ALA 48 Ca 0.40 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1qjm h ALA 48 Cb 0.64 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1qjm h ALA 48 CO -0.44 -1.10 0.46 0.82 0.00 0.00 0.00 179.25 178.99 1qjm h ILE 49 N -0.84 1.01 -0.76 0.00 2.04 -0.61 0.25 117.51 118.59 1qjm h ILE 49 Ca -0.02 -0.29 0.17 0.00 1.00 0.00 0.00 64.86 65.72 1qjm h ILE 49 Cb 0.78 0.10 -0.13 0.00 -0.74 0.00 0.00 36.82 36.83 1qjm h ILE 49 CO -0.16 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.19 1qjm h ALA 50 N 1.38 0.83 -0.53 1.87 0.00 0.24 1.38 119.26 124.43 1qjm h ALA 50 Ca 0.34 0.23 -0.43 0.00 0.00 0.00 0.00 54.91 55.05 1qjm h ALA 50 Cb 0.18 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 1qjm h ALA 50 CO -0.18 -0.42 0.43 0.00 0.00 0.00 0.00 179.25 179.09 1qjm n ALA 51 N -2.89 5.85 -1.95 0.00 0.00 0.13 -4.79 120.51 116.86 1qjm n ALA 51 Ca 0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 53.44 51.10 1qjm n ALA 51 Cb 0.48 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1qjm n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qjm n ASN 52 N 0.54 -0.68 0.14 0.00 5.15 0.47 -4.65 115.26 116.24 1qjm n ASN 52 Ca 0.41 0.17 0.12 0.00 -0.60 0.00 0.00 54.58 54.68 1qjm n ASN 52 Cb 0.57 -0.67 0.23 0.00 -0.53 0.00 0.00 39.78 39.38 1qjm n ASN 52 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1qjm h LYS 53 N -0.07 0.00 0.00 1.20 3.11 -0.73 -3.47 116.57 116.61 1qjm h LYS 53 Ca -0.05 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 1qjm h LYS 53 Cb 0.65 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1qjm h LYS 53 CO 0.07 0.00 0.01 0.00 -2.81 0.00 0.00 179.45 176.72 1qjm n ALA 54 N -1.96 -0.18 0.00 5.00 0.00 -1.24 -4.91 120.51 117.22 1qjm n ALA 54 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qjm n ALA 54 Cb 0.49 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1qjm n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qjm n ASP 55 N -1.56 2.68 -3.77 0.00 8.00 -0.82 -4.33 116.55 116.75 1qjm n ASP 55 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1qjm n ASP 55 Cb 0.10 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 1qjm n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qjm s ALA 56 N -1.14 -0.53 -0.30 2.24 0.00 -0.94 -4.33 121.76 116.75 1qjm s ALA 56 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 1qjm s ALA 56 Cb 0.00 0.64 0.17 0.00 0.00 0.00 0.00 23.12 23.93 1qjm s ALA 56 CO 0.00 -0.60 1.06 0.14 0.00 0.00 0.00 175.76 176.36 1qjm s VAL 57 N -3.85 -0.30 0.16 0.00 -7.23 -1.24 -1.59 120.40 106.35 1qjm s VAL 57 Ca 0.06 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.92 1qjm s VAL 57 Cb 0.03 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 1qjm s VAL 57 CO -0.10 0.00 1.37 -0.89 -0.31 0.00 0.00 175.10 175.17 1qjm s THR 58 N 2.10 3.20 0.17 5.32 2.01 -1.26 -2.57 115.64 124.60 1qjm s THR 58 Ca -0.03 0.92 0.07 0.00 0.31 0.00 0.00 61.69 62.95 1qjm s THR 58 Cb -0.04 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1qjm s THR 58 CO -0.16 0.10 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.97 1qjm s LEU 59 N 0.52 2.49 0.42 4.42 1.43 0.20 -4.91 118.68 123.26 1qjm s LEU 59 Ca 0.61 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1qjm s LEU 59 Cb -0.37 -0.61 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 1qjm s LEU 59 CO 0.34 -0.17 0.78 -0.62 0.23 0.00 0.00 176.35 176.92 1qjm s ASP 60 N -2.97 6.52 0.15 2.29 2.15 -1.26 0.41 116.67 123.96 1qjm s ASP 60 Ca 0.17 1.15 -0.30 0.00 0.43 0.00 0.00 52.55 54.00 1qjm s ASP 60 Cb -0.02 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 1qjm s ASP 60 CO 0.05 -0.42 1.55 1.23 -0.17 0.00 0.00 175.17 177.41 1qjm h GLY 61 N 1.19 -0.80 -0.37 2.66 0.00 -1.82 0.76 103.07 104.68 1qjm h GLY 61 Ca -0.47 0.68 0.19 0.00 0.00 0.00 0.00 47.33 47.73 1qjm h GLY 61 CO 0.64 -0.11 0.07 -1.33 0.00 0.00 0.00 176.54 175.81 1qjm h GLY 62 N -0.28 0.97 1.83 4.60 0.00 -1.90 0.16 103.07 108.45 1qjm h GLY 62 Ca 0.12 0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 1qjm h GLY 62 CO -0.68 -0.30 -0.76 1.41 0.00 0.00 0.00 176.54 176.20 1qjm h LEU 63 N 0.14 0.20 -0.12 3.11 3.38 -0.12 -2.83 115.31 119.07 1qjm h LEU 63 Ca 0.45 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1qjm h LEU 63 Cb 0.81 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1qjm h LEU 63 CO -0.66 0.89 -0.26 0.58 0.09 0.00 0.00 178.44 179.08 1qjm h VAL 64 N 0.10 0.39 -0.34 1.22 2.07 0.31 0.21 116.25 120.22 1qjm h VAL 64 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1qjm h VAL 64 Cb 1.34 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1qjm h VAL 64 CO 0.11 0.00 -0.47 0.22 0.02 0.00 0.00 177.57 177.46 1qjm h TYR 65 N -0.33 -1.37 -0.35 1.57 3.20 -1.06 0.62 116.97 119.26 1qjm h TYR 65 Ca 0.10 0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.10 1qjm h TYR 65 Cb 0.48 0.65 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 1qjm h TYR 65 CO -0.35 -0.47 -0.03 0.93 -1.64 0.00 0.00 178.16 176.59 1qjm h GLU 66 N -0.39 0.05 -0.02 1.82 4.39 -1.32 0.40 114.58 119.51 1qjm h GLU 66 Ca 0.11 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1qjm h GLU 66 Cb 0.61 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1qjm h GLU 66 CO -0.54 0.04 0.39 0.00 -1.16 0.00 0.00 179.01 177.74 1qjm h ALA 67 N 1.32 1.43 0.00 3.43 0.00 0.35 0.63 119.26 126.41 1qjm h ALA 67 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1qjm h ALA 67 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qjm h ALA 67 CO -0.31 -0.41 -1.25 0.41 0.00 0.00 0.00 179.25 177.69 1qjm n GLY 68 N -1.26 -1.27 3.69 0.00 0.00 0.09 0.13 105.19 106.57 1qjm n GLY 68 Ca -0.01 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1qjm n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qjm n LEU 69 N -2.35 3.44 0.00 0.99 4.77 0.22 -4.18 117.00 119.89 1qjm n LEU 69 Ca -0.00 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 1qjm n LEU 69 Cb 0.52 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1qjm n LEU 69 CO 0.41 -0.46 0.00 1.57 -1.33 0.00 0.00 177.39 177.59 1qjm n HIS 70 N 0.95 0.00 -0.33 -1.77 -0.00 -1.26 -2.26 115.22 110.56 1qjm n HIS 70 Ca 0.07 0.00 0.31 0.00 -0.00 0.00 0.00 57.72 58.11 1qjm n HIS 70 Cb 0.35 0.00 0.58 0.00 -0.00 0.00 0.00 29.99 30.92 1qjm n HIS 70 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qjm h PRO 71 N 0.00 0.03 0.00 1.57 0.13 -1.97 -3.14 132.00 128.62 1qjm h PRO 71 Ca 0.00 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1qjm h PRO 71 Cb 0.00 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.09 1qjm h PRO 71 CO 0.00 0.02 -1.27 0.66 -0.23 0.00 0.00 178.00 177.18 1qjm n TYR 72 N -5.23 0.72 -2.73 1.56 4.01 -0.96 -5.06 117.16 109.48 1qjm n TYR 72 Ca 0.37 0.31 -0.02 0.00 -0.16 0.00 0.00 57.90 58.40 1qjm n TYR 72 Cb 1.27 -0.94 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 1qjm n TYR 72 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1qjm n LYS 73 N -4.45 -1.16 -3.75 -0.72 4.76 -1.19 -4.80 118.16 106.85 1qjm n LYS 73 Ca -0.28 1.14 -0.33 0.00 -2.87 0.00 0.00 58.31 55.97 1qjm n LYS 73 Cb 0.59 -4.79 -0.05 0.00 -1.84 0.00 0.00 35.03 28.95 1qjm n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qjm s LEU 74 N -3.80 4.33 -0.08 -0.35 1.43 0.35 -2.04 118.68 118.52 1qjm s LEU 74 Ca 0.07 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1qjm s LEU 74 Cb -0.01 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1qjm s LEU 74 CO 0.57 0.17 -0.19 -0.60 0.23 0.00 0.00 176.35 176.54 1qjm s ARG 75 N -2.17 2.36 -0.46 1.70 3.52 0.95 -4.23 118.95 120.62 1qjm s ARG 75 Ca 0.33 -0.67 -0.27 0.00 -0.13 0.00 0.00 55.73 54.99 1qjm s ARG 75 Cb -0.13 -1.86 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 1qjm s ARG 75 CO 0.21 0.14 2.05 -1.25 -0.81 0.00 0.00 175.30 175.64 1qjm s PRO 76 N 0.41 2.69 -0.09 5.12 0.04 -1.26 -2.35 135.00 139.55 1qjm s PRO 76 Ca -0.15 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.03 1qjm s PRO 76 Cb -0.16 -4.40 -0.05 0.00 0.04 0.00 0.00 34.50 29.93 1qjm s PRO 76 CO 0.06 -2.62 0.23 0.28 0.04 0.00 0.00 177.00 174.99 1qjm h VAL 77 N 7.14 0.27 -3.59 -0.36 2.07 -0.85 -3.43 116.25 117.50 1qjm h VAL 77 Ca -0.29 -1.12 -0.57 0.00 0.82 0.00 0.00 66.70 65.54 1qjm h VAL 77 Cb 1.20 0.50 -0.20 0.00 -1.52 0.00 0.00 31.29 31.27 1qjm h VAL 77 CO 1.13 0.09 -0.81 0.00 0.02 0.00 0.00 177.57 177.99 1qjm s ALA 78 N -2.76 2.03 -0.01 1.67 0.00 -0.60 -0.09 121.76 122.00 1qjm s ALA 78 Ca -0.04 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1qjm s ALA 78 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1qjm s ALA 78 CO 0.14 0.34 -0.22 0.00 0.00 0.00 0.00 175.76 176.02 1qjm s ALA 79 N -1.56 1.82 0.93 0.00 0.00 0.78 0.72 121.76 124.45 1qjm s ALA 79 Ca 0.13 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 1qjm s ALA 79 Cb -0.08 -0.46 0.15 0.00 0.00 0.00 0.00 23.12 22.73 1qjm s ALA 79 CO 0.06 0.45 1.14 -1.21 0.00 0.00 0.00 175.76 176.20 1qjm s GLU 80 N -0.54 1.02 -0.04 0.00 2.02 -1.10 0.66 118.70 120.71 1qjm s GLU 80 Ca 0.08 0.24 -0.03 0.00 0.02 0.00 0.00 54.97 55.28 1qjm s GLU 80 Cb -0.08 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.33 1qjm s GLU 80 CO -0.01 -2.27 0.10 0.08 0.02 0.00 0.00 175.26 173.18 1qjm s VAL 81 N -3.29 -0.01 0.00 2.63 1.01 0.19 -4.64 120.40 116.29 1qjm s VAL 81 Ca 0.65 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1qjm s VAL 81 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1qjm s VAL 81 CO 0.53 0.01 0.00 -1.22 0.00 0.00 0.00 175.10 174.42 1qjm n TYR 82 N 3.15 0.00 0.00 5.22 4.01 -1.03 0.21 117.16 128.72 1qjm n TYR 82 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1qjm n TYR 82 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1qjm n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qjm n GLN 83 N 0.00 0.00 0.00 -0.72 10.64 -1.26 -3.77 117.38 122.27 1qjm n GLN 83 Ca 0.00 0.42 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1qjm n GLN 83 Cb 0.00 -0.87 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 1qjm n GLN 83 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1qjm n THR 84 N -0.90 0.00 0.00 -0.39 -1.04 -1.26 -3.72 114.28 106.97 1qjm n THR 84 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1qjm n THR 84 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1qjm n THR 84 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1qjm n ARG 85 N -1.61 0.00 0.00 -2.82 0.63 -1.26 -4.63 116.66 106.97 1qjm n ARG 85 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1qjm n ARG 85 Cb 0.00 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1qjm n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qjm n GLY 86 N -2.00 0.74 3.56 5.14 0.00 -1.24 -5.09 105.19 106.29 1qjm n GLY 86 Ca 0.00 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1qjm n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qjm s LYS 87 N 0.81 3.52 0.15 1.61 3.01 -1.26 -5.00 119.74 122.58 1qjm s LYS 87 Ca 0.00 0.05 -0.11 0.00 -1.01 0.00 0.00 55.97 54.90 1qjm s LYS 87 Cb 0.00 -3.90 -0.07 0.00 -1.01 0.00 0.00 37.83 32.84 1qjm s LYS 87 CO 0.00 -1.06 0.12 -2.30 0.51 0.00 0.00 175.35 172.62 1qjm n PRO 88 N 6.70 0.00 -4.01 -1.68 -0.02 -1.26 -4.78 135.00 129.95 1qjm n PRO 88 Ca 0.03 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.36 1qjm n PRO 88 Cb 0.48 -0.46 -0.03 0.00 -0.02 0.00 0.00 33.50 33.47 1qjm n PRO 88 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qjm n GLN 89 N 0.55 0.73 -0.81 -0.52 6.02 -1.25 -4.98 117.38 117.12 1qjm n GLN 89 Ca 0.06 -2.83 0.05 0.00 -0.01 0.00 0.00 57.00 54.27 1qjm n GLN 89 Cb 0.15 2.75 0.08 0.00 1.02 0.00 0.00 30.24 34.24 1qjm n GLN 89 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1qjm n THR 90 N -0.59 0.88 -3.90 5.09 -2.24 -1.26 -2.47 114.28 109.79 1qjm n THR 90 Ca 0.00 -1.56 -0.12 0.00 -2.27 0.00 0.00 64.05 60.10 1qjm n THR 90 Cb 0.60 0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 1qjm n THR 90 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qjm s ARG 91 N -1.30 0.07 -0.03 -0.78 1.81 -1.26 0.11 118.95 117.57 1qjm s ARG 91 Ca 0.27 -0.10 -0.04 0.00 -1.72 0.00 0.00 55.73 54.14 1qjm s ARG 91 Cb 0.28 -0.01 0.01 0.00 -0.45 0.00 0.00 34.95 34.78 1qjm s ARG 91 CO -0.07 -0.00 0.11 1.52 -0.68 0.00 0.00 175.30 176.17 1qjm s TYR 92 N -0.22 -0.04 0.18 -0.53 1.13 0.35 -4.86 117.35 113.36 1qjm s TYR 92 Ca -0.02 0.11 -0.30 0.00 -1.41 0.00 0.00 57.07 55.45 1qjm s TYR 92 Cb -0.02 -0.00 -0.08 0.00 -1.10 0.00 0.00 41.96 40.76 1qjm s TYR 92 CO -0.00 -0.13 1.02 0.71 -2.51 0.00 0.00 175.55 174.64 1qjm s TYR 93 N -0.47 3.75 -0.31 -3.49 2.02 -1.26 0.18 117.35 117.77 1qjm s TYR 93 Ca -0.05 1.74 -0.12 0.00 -0.37 0.00 0.00 57.07 58.26 1qjm s TYR 93 Cb -0.04 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 1qjm s TYR 93 CO 0.00 -0.11 0.24 0.00 -1.57 0.00 0.00 175.55 174.11 1qjm s ALA 94 N -0.45 3.52 0.45 3.71 0.00 0.16 -2.09 121.76 127.06 1qjm s ALA 94 Ca 0.46 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1qjm s ALA 94 Cb -0.27 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1qjm s ALA 94 CO 0.33 -0.75 0.05 1.33 0.00 0.00 0.00 175.76 176.72 1qjm n VAL 95 N 5.10 0.00 -3.87 0.00 0.24 0.11 -0.41 118.33 119.49 1qjm n VAL 95 Ca -0.13 -2.29 -0.29 0.00 -2.04 0.00 0.00 64.34 59.59 1qjm n VAL 95 Cb 0.51 0.60 -0.16 0.00 -1.47 0.00 0.00 33.84 33.31 1qjm n VAL 95 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qjm s ALA 96 N -2.92 1.63 -0.22 2.33 0.00 -1.26 -0.85 121.76 120.47 1qjm s ALA 96 Ca 0.07 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1qjm s ALA 96 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1qjm s ALA 96 CO 0.05 -1.15 0.20 0.08 0.00 0.00 0.00 175.76 174.95 1qjm s VAL 97 N 1.55 5.34 0.03 0.00 1.01 0.18 -2.09 120.40 126.43 1qjm s VAL 97 Ca -0.04 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1qjm s VAL 97 Cb -0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1qjm s VAL 97 CO -0.07 0.35 -0.06 0.68 0.00 0.00 0.00 175.10 176.00 1qjm s VAL 98 N 0.95 0.38 -0.03 2.92 -7.23 -1.14 0.18 120.40 116.43 1qjm s VAL 98 Ca 0.10 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 1qjm s VAL 98 Cb -0.13 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 1qjm s VAL 98 CO 0.04 -0.41 0.96 -0.54 -0.31 0.00 0.00 175.10 174.84 1qjm s LYS 99 N -1.48 4.51 0.16 4.82 1.02 -1.26 0.15 119.74 127.66 1qjm s LYS 99 Ca -0.12 1.35 -0.32 0.00 0.02 0.00 0.00 55.97 56.90 1qjm s LYS 99 Cb -0.10 -3.48 -0.17 0.00 -0.52 0.00 0.00 37.83 33.57 1qjm s LYS 99 CO -0.00 -0.10 0.94 1.63 -0.92 0.00 0.00 175.35 176.90 1qjm n LYS 100 N 4.16 0.62 -0.62 1.68 5.02 -0.72 -1.41 118.16 126.88 1qjm n LYS 100 Ca 0.06 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1qjm n LYS 100 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1qjm n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qjm n GLY 101 N 1.82 0.73 0.14 0.72 0.00 -1.26 -4.89 105.19 102.45 1qjm n GLY 101 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1qjm n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qjm h SER 102 N 0.00 0.00 0.00 1.61 4.64 -1.63 -3.48 113.55 114.69 1qjm h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qjm h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qjm h SER 102 CO 0.00 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 1qjm n GLY 103 N 1.24 2.05 2.35 -0.77 0.00 -1.26 -4.98 105.19 103.81 1qjm n GLY 103 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1qjm n GLY 103 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qjm n PHE 104 N 0.00 -0.62 -3.98 1.61 -1.74 -1.26 -4.95 117.46 106.51 1qjm n PHE 104 Ca 0.00 0.61 -0.24 0.00 -0.56 0.00 0.00 57.45 57.27 1qjm n PHE 104 Cb 0.00 -1.33 -0.03 0.00 1.52 0.00 0.00 39.48 39.64 1qjm n PHE 104 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1qjm s GLN 105 N -0.70 3.34 0.51 3.97 -1.52 -1.26 -4.98 119.66 119.03 1qjm s GLN 105 Ca 0.44 -0.73 0.36 0.00 -1.95 0.00 0.00 55.36 53.48 1qjm s GLN 105 Cb -0.60 -2.87 1.51 0.00 -0.22 0.00 0.00 33.01 30.83 1qjm s GLN 105 CO 0.40 0.47 1.73 1.25 -0.25 0.00 0.00 175.29 178.89 1qjm h LEU 106 N 1.74 0.10 -0.01 2.90 5.85 -1.87 0.96 115.31 124.98 1qjm h LEU 106 Ca -0.50 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1qjm h LEU 106 Cb 1.21 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1qjm h LEU 106 CO 0.64 -0.01 -0.01 -0.46 -0.34 0.00 0.00 178.44 178.27 1qjm n ASN 107 N -4.27 0.02 -0.67 1.25 6.94 -1.26 -3.33 115.26 113.95 1qjm n ASN 107 Ca 0.31 -0.21 0.09 0.00 -0.02 0.00 0.00 54.58 54.75 1qjm n ASN 107 Cb 1.38 -0.26 0.06 0.00 -2.36 0.00 0.00 39.78 38.60 1qjm n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qjm n GLN 108 N -1.25 1.64 0.08 -3.83 6.02 0.33 -4.82 117.38 115.56 1qjm n GLN 108 Ca 0.15 -1.43 0.16 0.00 -0.01 0.00 0.00 57.00 55.87 1qjm n GLN 108 Cb 0.24 -1.36 0.37 0.00 1.02 0.00 0.00 30.24 30.50 1qjm n GLN 108 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1qjm h LEU 109 N 3.28 0.00 -9.27 1.08 3.38 -1.58 -3.42 115.31 108.78 1qjm h LEU 109 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1qjm h LEU 109 Cb 0.75 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.52 1qjm h LEU 109 CO 0.00 0.00 1.08 1.67 0.09 0.00 0.00 178.44 181.28 1qjm n GLN 110 N -2.99 2.09 0.00 1.13 -0.06 -1.26 -1.02 117.38 115.27 1qjm n GLN 110 Ca 0.10 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 1qjm n GLN 110 Cb 1.09 -2.60 0.00 0.00 -4.06 0.00 0.00 30.24 24.67 1qjm n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qjm n GLY 111 N 4.38 2.90 3.85 1.69 0.00 -1.04 -5.02 105.19 111.95 1qjm n GLY 111 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1qjm n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjm s VAL 112 N -2.66 4.59 0.02 1.61 1.01 -0.19 -4.04 120.40 120.75 1qjm s VAL 112 Ca 0.00 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 1qjm s VAL 112 Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1qjm s VAL 112 CO 0.00 -0.48 0.57 -0.54 0.00 0.00 0.00 175.10 174.64 1qjm s LYS 113 N -3.64 4.25 0.08 2.72 1.02 -1.26 -2.64 119.74 120.26 1qjm s LYS 113 Ca 0.57 0.70 0.06 0.00 0.02 0.00 0.00 55.97 57.32 1qjm s LYS 113 Cb -0.10 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1qjm s LYS 113 CO 0.25 0.49 -0.17 -1.54 -0.92 0.00 0.00 175.35 173.46 1qjm s SER 114 N -0.57 1.97 0.14 2.83 1.04 -1.24 -1.25 113.70 116.63 1qjm s SER 114 Ca 0.29 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1qjm s SER 114 Cb -0.18 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1qjm s SER 114 CO 0.17 -0.02 0.25 0.00 0.98 0.00 0.00 173.24 174.62 1qjm s HIS 116 N -1.72 -0.34 0.20 0.00 3.76 -1.21 -3.78 115.29 112.20 1qjm s HIS 116 Ca 0.34 0.82 -0.10 0.00 -0.15 0.00 0.00 55.06 55.97 1qjm s HIS 116 Cb -0.11 0.11 0.12 0.00 1.11 0.00 0.00 32.58 33.82 1qjm s HIS 116 CO 0.27 -0.17 1.76 1.79 -0.85 0.00 0.00 174.74 177.54 1qjm h THR 117 N 4.83 1.24 0.00 1.30 1.35 -1.82 -3.38 112.91 116.43 1qjm h THR 117 Ca -0.28 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1qjm h THR 117 Cb 1.19 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1qjm h THR 117 CO 0.32 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1qjm n GLY 118 N -0.88 0.45 3.68 5.82 0.00 -1.26 0.58 105.19 113.57 1qjm n GLY 118 Ca 0.06 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1qjm n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qjm s LEU 119 N 0.00 4.25 0.00 0.99 2.96 0.23 -3.80 118.68 123.31 1qjm s LEU 119 Ca 0.00 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1qjm s LEU 119 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1qjm s LEU 119 CO 0.00 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 1qjm n GLY 120 N 3.31 2.24 3.83 7.98 0.00 -1.26 -5.00 105.19 116.29 1qjm n GLY 120 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qjm n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjm s ARG 121 N -0.48 3.22 0.00 1.61 0.52 -1.25 -4.36 118.95 118.21 1qjm s ARG 121 Ca 0.00 0.96 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 1qjm s ARG 121 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1qjm s ARG 121 CO 0.00 -0.88 0.74 0.43 0.02 0.00 0.00 175.30 175.61 1qjm n SER 122 N -2.72 0.00 -0.23 0.23 7.64 -1.26 -1.27 113.62 116.01 1qjm n SER 122 Ca 0.07 0.74 0.04 0.00 1.01 0.00 0.00 58.87 60.73 1qjm n SER 122 Cb 0.54 -0.24 0.15 0.00 -1.01 0.00 0.00 64.21 63.65 1qjm n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjm h ALA 123 N -1.84 0.80 0.00 -0.43 0.00 -1.90 0.69 119.26 116.59 1qjm h ALA 123 Ca 0.00 0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1qjm h ALA 123 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1qjm h ALA 123 CO 0.00 -0.37 -1.11 0.78 0.00 0.00 0.00 179.25 178.55 1qjm h GLY 124 N 0.19 0.00 0.00 0.00 0.00 -1.68 -3.37 103.07 98.20 1qjm h GLY 124 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1qjm h GLY 124 CO -0.54 0.00 0.00 1.87 0.00 0.00 0.00 176.54 177.87 1qjm n TRP 125 N -3.11 -0.15 -0.29 5.60 -0.00 -0.51 -4.66 117.44 114.33 1qjm n TRP 125 Ca -0.05 0.03 0.02 0.00 -0.00 0.00 0.00 57.50 57.50 1qjm n TRP 125 Cb 0.86 0.22 0.10 0.00 -0.00 0.00 0.00 31.31 32.49 1qjm n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1qjm h ASN 126 N 0.00 -0.81 0.20 5.87 4.21 -1.11 0.28 115.58 124.21 1qjm h ASN 126 Ca 0.00 0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.75 1qjm h ASN 126 Cb 0.00 0.53 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1qjm h ASN 126 CO 0.00 -0.28 -0.09 0.40 -1.29 0.00 0.00 177.43 176.17 1qjm h ILE 127 N -0.01 0.00 -0.16 2.81 1.08 -1.10 -3.29 117.51 116.85 1qjm h ILE 127 Ca 0.39 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1qjm h ILE 127 Cb 0.60 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1qjm h ILE 127 CO -0.85 0.00 -0.15 1.55 -0.69 0.00 0.00 178.15 178.01 1qjm h PRO 128 N -0.58 -0.06 -1.05 2.37 0.13 -1.61 -1.86 132.00 129.34 1qjm h PRO 128 Ca -0.03 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.39 1qjm h PRO 128 Cb 0.20 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.23 1qjm h PRO 128 CO 0.04 -0.04 0.65 0.82 -0.23 0.00 0.00 178.00 179.24 1qjm h ILE 129 N -0.07 0.47 -0.23 -3.56 1.08 -1.16 0.48 117.51 114.52 1qjm h ILE 129 Ca 0.03 -0.15 -0.11 0.00 -0.39 0.00 0.00 64.86 64.24 1qjm h ILE 129 Cb 0.14 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1qjm h ILE 129 CO -0.18 0.08 -0.31 1.23 -0.69 0.00 0.00 178.15 178.27 1qjm h GLY 130 N 0.43 0.51 0.85 5.37 0.00 -1.42 0.16 103.07 108.96 1qjm h GLY 130 Ca 0.65 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1qjm h GLY 130 CO -0.40 0.41 -0.29 -0.84 0.00 0.00 0.00 176.54 175.42 1qjm h THR 131 N 0.40 0.32 0.00 4.70 2.02 0.24 -2.60 112.91 118.01 1qjm h THR 131 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1qjm h THR 131 Cb 0.75 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1qjm h THR 131 CO 0.06 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.16 1qjm n LEU 132 N -5.38 0.00 -0.31 2.58 4.77 -0.59 -3.70 117.00 114.37 1qjm n LEU 132 Ca -0.12 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1qjm n LEU 132 Cb 0.35 -0.05 0.31 0.00 -2.33 0.00 0.00 43.42 41.71 1qjm n LEU 132 CO 0.34 -0.02 1.07 -0.09 -1.33 0.00 0.00 177.39 177.36 1qjm h ARG 133 N 0.00 0.44 0.00 3.23 2.43 -0.27 0.34 114.38 120.55 1qjm h ARG 133 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1qjm h ARG 133 Cb 0.03 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1qjm h ARG 133 CO 0.00 0.29 0.08 -2.30 -1.51 0.00 0.00 179.97 176.53 1qjm n PRO 134 N -5.00 0.04 -0.12 0.20 -0.02 -1.24 -0.72 135.00 128.14 1qjm n PRO 134 Ca 0.22 0.50 0.04 0.00 -2.02 0.00 0.00 63.50 62.25 1qjm n PRO 134 Cb 0.65 -1.73 0.10 0.00 -0.02 0.00 0.00 33.50 32.50 1qjm n PRO 134 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1qjm n TYR 135 N -1.71 0.26 0.04 6.00 4.02 0.12 -4.78 117.16 121.11 1qjm n TYR 135 Ca -0.00 -0.63 -0.20 0.00 -0.01 0.00 0.00 57.90 57.06 1qjm n TYR 135 Cb 0.09 -0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 1qjm n TYR 135 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1qjm h LEU 136 N 0.84 0.90 -2.62 7.72 3.38 -0.85 -3.49 115.31 121.19 1qjm h LEU 136 Ca 0.00 -0.72 -0.10 0.00 0.09 0.00 0.00 57.88 57.15 1qjm h LEU 136 Cb 0.77 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1qjm h LEU 136 CO 0.03 1.52 -0.65 0.59 0.09 0.00 0.00 178.44 180.02 1qjm n ASN 137 N -3.85 -7.32 -3.37 -0.43 4.13 -1.26 -4.96 115.26 98.21 1qjm n ASN 137 Ca -0.11 0.30 -0.14 0.00 1.68 0.00 0.00 54.58 56.31 1qjm n ASN 137 Cb 0.88 -4.45 -0.08 0.00 -1.54 0.00 0.00 39.78 34.59 1qjm n ASN 137 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1qjm s TRP 138 N -2.38 -0.64 0.00 3.10 -0.00 -1.26 -4.98 118.94 112.78 1qjm s TRP 138 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.36 1qjm s TRP 138 Cb -0.06 -0.36 0.00 0.00 -0.00 0.00 0.00 33.47 33.05 1qjm s TRP 138 CO 0.80 -0.94 0.00 2.41 -0.00 0.00 0.00 176.95 179.22 1qjm n THR 139 N 5.33 0.00 0.00 5.86 -1.04 -1.26 -4.75 114.28 118.41 1qjm n THR 139 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1qjm n THR 139 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1qjm n THR 139 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qjm n GLY 140 N -0.62 -0.20 0.00 3.41 0.00 -1.26 -4.74 105.19 101.78 1qjm n GLY 140 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1qjm n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qjm n PRO 141 N -0.77 0.00 -0.32 1.61 -0.04 -1.26 -0.28 135.00 133.94 1qjm n PRO 141 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1qjm n PRO 141 Cb 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.54 1qjm n PRO 141 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1qjm h PRO 142 N 0.00 1.16 -5.42 0.54 0.11 -1.97 -3.41 132.00 123.02 1qjm h PRO 142 Ca 0.00 -0.09 -0.60 0.00 0.11 0.00 0.00 66.00 65.42 1qjm h PRO 142 Cb 0.00 -0.25 -0.11 0.00 0.11 0.00 0.00 31.00 30.74 1qjm h PRO 142 CO 0.00 0.79 -0.24 -2.00 -0.21 0.00 0.00 178.00 176.35 1qjm s GLU 143 N -6.05 4.18 -0.05 1.05 2.12 0.62 -5.02 118.70 115.55 1qjm s GLU 143 Ca -0.13 0.16 -0.38 0.00 0.36 0.00 0.00 54.97 54.99 1qjm s GLU 143 Cb 0.16 -3.52 -0.16 0.00 0.26 0.00 0.00 34.13 30.88 1qjm s GLU 143 CO 0.80 0.01 1.53 -2.30 -0.54 0.00 0.00 175.26 174.77 1qjm n PRO 144 N 4.31 1.28 0.27 4.30 -0.02 -1.26 -4.59 135.00 139.28 1qjm n PRO 144 Ca -0.09 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1qjm n PRO 144 Cb 0.51 -2.14 0.75 0.00 -0.02 0.00 0.00 33.50 32.60 1qjm n PRO 144 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qjm h LEU 145 N 5.88 0.00 -0.08 2.45 5.85 -1.93 -2.67 115.31 124.82 1qjm h LEU 145 Ca -0.47 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.28 1qjm h LEU 145 Cb 1.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1qjm h LEU 145 CO 0.86 0.10 -0.13 1.56 -0.34 0.00 0.00 178.44 180.50 1qjm h GLN 146 N 0.00 -0.17 -0.46 1.25 4.20 -2.00 -1.15 115.11 116.79 1qjm h GLN 146 Ca -0.00 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1qjm h GLN 146 Cb 0.32 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1qjm h GLN 146 CO 0.01 -0.11 0.31 0.87 -0.67 0.00 0.00 178.83 179.24 1qjm h LYS 147 N -0.17 0.26 0.00 1.46 1.57 -1.86 0.50 116.57 118.32 1qjm h LYS 147 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1qjm h LYS 147 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1qjm h LYS 147 CO -0.18 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1qjm n ALA 148 N -2.54 0.00 -0.37 3.86 0.00 -0.46 -0.25 120.51 120.74 1qjm n ALA 148 Ca 0.07 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.82 1qjm n ALA 148 Cb 0.34 0.01 0.58 0.00 0.00 0.00 0.00 19.45 20.38 1qjm n ALA 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qjm h VAL 149 N 0.00 0.13 -0.42 0.00 2.07 -1.37 2.50 116.25 119.16 1qjm h VAL 149 Ca 0.00 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1qjm h VAL 149 Cb 0.00 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.67 1qjm h VAL 149 CO 0.00 0.02 -0.26 0.00 0.02 0.00 0.00 177.57 177.35 1qjm h ALA 150 N 1.81 -0.02 -0.01 1.67 0.00 0.31 0.60 119.26 123.62 1qjm h ALA 150 Ca 0.81 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.85 1qjm h ALA 150 Cb 2.20 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.59 1qjm h ALA 150 CO -0.60 -0.64 -0.11 0.09 0.00 0.00 0.00 179.25 178.00 1qjm n ASN 151 N -5.40 0.78 0.10 0.00 3.02 0.82 -3.85 115.26 110.73 1qjm n ASN 151 Ca 0.02 -0.89 -0.17 0.00 -0.03 0.00 0.00 54.58 53.51 1qjm n ASN 151 Cb 0.32 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.35 1qjm n ASN 151 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1qjm h PHE 152 N 1.06 0.54 -3.44 3.10 3.57 0.26 -3.45 116.94 118.58 1qjm h PHE 152 Ca 0.00 -0.40 -0.66 0.00 3.53 0.00 0.00 57.97 60.45 1qjm h PHE 152 Cb 0.39 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 38.86 1qjm h PHE 152 CO 0.00 1.32 -0.74 -0.06 -2.23 0.00 0.00 178.31 176.60 1qjm s PHE 153 N -2.65 2.84 0.41 0.41 0.08 -0.96 -2.48 117.98 115.64 1qjm s PHE 153 Ca -0.05 -0.47 0.36 0.00 0.12 0.00 0.00 56.93 56.89 1qjm s PHE 153 Cb 0.07 -1.83 1.30 0.00 -0.57 0.00 0.00 43.02 41.99 1qjm s PHE 153 CO 0.89 -0.09 1.21 -1.13 -0.10 0.00 0.00 175.22 176.00 1qjm n SER 154 N 3.27 0.04 0.00 1.36 3.41 -1.08 -4.63 113.62 115.99 1qjm n SER 154 Ca -0.18 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1qjm n SER 154 Cb 0.53 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1qjm n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjm n ALA 155 N -2.67 0.00 -3.14 7.33 0.00 -1.26 -5.04 120.51 115.73 1qjm n ALA 155 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.79 1qjm n ALA 155 Cb 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.93 1qjm n ALA 155 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qjm n SER 156 N 0.00 -0.25 -3.68 0.00 7.64 0.14 -3.62 113.62 113.85 1qjm n SER 156 Ca 0.00 -1.12 -0.27 0.00 1.01 0.00 0.00 58.87 58.48 1qjm n SER 156 Cb 0.00 0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 1qjm n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjm s VAL 158 N -1.08 5.15 0.28 0.00 1.01 0.50 -3.28 120.40 122.98 1qjm s VAL 158 Ca 0.29 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1qjm s VAL 158 Cb 0.01 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1qjm s VAL 158 CO -0.16 -0.29 1.29 -2.84 0.00 0.00 0.00 175.10 173.10 1qjm s PRO 159 N 2.01 4.39 0.00 2.72 0.02 -1.26 -1.81 135.00 141.07 1qjm s PRO 159 Ca 0.11 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1qjm s PRO 159 Cb -0.17 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1qjm s PRO 159 CO 0.12 -0.17 0.00 0.00 -0.33 0.00 0.00 177.00 176.62 1qjm s ALA 161 N -3.22 1.96 -1.09 0.00 0.00 -0.75 -4.88 121.76 113.78 1qjm s ALA 161 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1qjm s ALA 161 Cb 0.00 -3.44 0.30 0.00 0.00 0.00 0.00 23.12 19.98 1qjm s ALA 161 CO 0.00 -2.10 1.55 -3.47 0.00 0.00 0.00 175.76 171.75 1qjm n ASP 162 N -3.21 6.43 0.00 0.00 2.03 -1.26 -4.82 116.55 115.72 1qjm n ASP 162 Ca 0.12 -3.41 0.02 0.00 0.52 0.00 0.00 54.79 52.04 1qjm n ASP 162 Cb 0.51 -1.28 0.07 0.00 -0.72 0.00 0.00 41.12 39.70 1qjm n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qjm n GLY 163 N 1.32 -0.61 0.19 0.27 0.00 -1.26 -0.30 105.19 104.80 1qjm n GLY 163 Ca 0.29 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1qjm n GLY 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjm h LYS 164 N 0.00 -0.38 -0.11 1.61 1.57 -1.94 0.63 116.57 117.95 1qjm h LYS 164 Ca 0.00 0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1qjm h LYS 164 Cb 0.05 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1qjm h LYS 164 CO 0.00 -0.04 -0.64 1.96 -0.57 0.00 0.00 179.45 180.16 1qjm h GLN 165 N -0.86 0.41 -1.32 3.15 4.20 -1.68 -3.32 115.11 115.70 1qjm h GLN 165 Ca -0.04 -0.30 -0.47 0.00 0.06 0.00 0.00 58.65 57.90 1qjm h GLN 165 Cb 0.52 0.05 -0.41 0.00 0.30 0.00 0.00 27.48 27.94 1qjm h GLN 165 CO 0.07 0.91 -0.99 0.66 -0.67 0.00 0.00 178.83 178.81 1qjm n TYR 166 N -3.89 2.14 -0.57 2.96 4.01 0.59 -4.93 117.16 117.47 1qjm n TYR 166 Ca -0.03 -3.03 0.44 0.00 -0.16 0.00 0.00 57.90 55.12 1qjm n TYR 166 Cb 0.65 -0.27 0.69 0.00 -0.31 0.00 0.00 39.34 40.10 1qjm n TYR 166 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qjm n PRO 167 N -0.22 -0.01 -0.05 -0.72 -0.04 0.22 0.74 135.00 134.92 1qjm n PRO 167 Ca 0.23 0.99 0.12 0.00 -0.04 0.00 0.00 63.50 64.80 1qjm n PRO 167 Cb 0.73 -2.19 0.53 0.00 -0.04 0.00 0.00 33.50 32.53 1qjm n PRO 167 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1qjm h ASN 168 N 0.00 0.31 0.00 3.54 -1.24 -1.92 0.43 115.58 116.70 1qjm h ASN 168 Ca 0.81 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.83 1qjm h ASN 168 Cb 3.11 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 42.11 1qjm h ASN 168 CO -0.11 0.19 0.00 0.18 -1.29 0.00 0.00 177.43 176.40 1qjm n LEU 169 N -4.46 0.00 0.00 0.34 4.77 0.23 0.25 117.00 118.13 1qjm n LEU 169 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1qjm n LEU 169 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1qjm n LEU 169 CO 0.34 0.00 0.08 0.00 -1.33 0.00 0.00 177.39 176.48 1qjm h ARG 171 N 0.00 -0.16 0.00 0.00 2.43 0.96 -2.09 114.38 115.52 1qjm h ARG 171 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qjm h ARG 171 Cb 0.69 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1qjm h ARG 171 CO 0.00 -0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.63 1qjm n LEU 172 N -5.43 0.68 -4.64 3.80 4.77 0.30 -4.69 117.00 111.79 1qjm n LEU 172 Ca 0.04 0.69 -0.43 0.00 -0.03 0.00 0.00 56.01 56.28 1qjm n LEU 172 Cb 0.34 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1qjm n LEU 172 CO 0.04 -0.64 1.42 0.00 -1.33 0.00 0.00 177.39 176.88 1qjm s ALA 174 N 4.78 3.34 -0.04 0.00 0.00 -1.26 -4.66 121.76 123.92 1qjm s ALA 174 Ca 0.75 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 1qjm s ALA 174 Cb -0.31 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1qjm s ALA 174 CO 0.30 -1.82 0.69 0.20 0.00 0.00 0.00 175.76 175.14 1qjm s GLY 175 N 2.06 -0.57 0.00 0.00 0.00 -1.26 -4.11 107.32 103.44 1qjm s GLY 175 Ca 0.23 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.25 1qjm s GLY 175 CO 0.19 0.91 0.00 -1.30 0.00 0.00 0.00 173.10 172.89 1qjm n THR 176 N 0.81 0.00 0.00 0.90 -2.24 -1.26 -4.03 114.28 108.46 1qjm n THR 176 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1qjm n THR 176 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1qjm n THR 176 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qjm n GLU 177 N 0.00 0.00 0.00 -0.78 -0.58 -1.26 -2.37 120.64 115.65 1qjm n GLU 177 Ca 0.00 0.07 0.13 0.00 -0.42 0.00 0.00 57.16 56.94 1qjm n GLU 177 Cb 0.00 -0.63 0.45 0.00 -0.57 0.00 0.00 31.44 30.69 1qjm n GLU 177 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qjm n ALA 178 N -2.40 3.00 0.21 0.62 0.00 -1.26 -2.68 120.51 118.01 1qjm n ALA 178 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.22 1qjm n ALA 178 Cb 0.00 -1.25 0.46 0.00 0.00 0.00 0.00 19.45 18.66 1qjm n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qjm h ASP 179 N 0.38 0.00 -1.35 0.00 3.32 -1.87 -3.40 116.42 113.49 1qjm h ASP 179 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1qjm h ASP 179 Cb 0.46 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.10 1qjm h ASP 179 CO 0.00 0.29 -0.20 1.17 -1.72 0.00 0.00 179.24 178.78 1qjm n LYS 180 N -3.70 0.37 -0.71 3.56 4.81 -1.00 -0.29 118.16 121.21 1qjm n LYS 180 Ca -0.01 0.13 -0.03 0.00 -0.87 0.00 0.00 58.31 57.53 1qjm n LYS 180 Cb 0.40 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 34.08 1qjm n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qjm s ALA 182 N -0.88 1.83 -0.59 0.00 0.00 0.60 -2.98 121.76 119.74 1qjm s ALA 182 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 1qjm s ALA 182 Cb 0.00 -3.49 0.32 0.00 0.00 0.00 0.00 23.12 19.95 1qjm s ALA 182 CO 0.00 -2.31 2.13 0.00 0.00 0.00 0.00 175.76 175.58 1qjm n SER 184 N -0.30 -0.07 -0.26 0.00 3.41 -1.26 -4.66 113.62 110.48 1qjm n SER 184 Ca 0.51 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1qjm n SER 184 Cb 0.54 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1qjm n SER 184 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qjm n SER 185 N -1.82 0.33 0.11 4.04 3.41 -1.26 -0.89 113.62 117.54 1qjm n SER 185 Ca -0.00 -1.29 0.08 0.00 -0.26 0.00 0.00 58.87 57.40 1qjm n SER 185 Cb 0.02 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1qjm n SER 185 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1qjm h GLN 186 N 0.18 0.00 -4.68 4.33 1.08 -1.92 -3.41 115.11 110.69 1qjm h GLN 186 Ca 0.00 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.51 1qjm h GLN 186 Cb 0.17 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.38 1qjm h GLN 186 CO 0.00 0.13 -0.51 -2.00 -0.95 0.00 0.00 178.83 175.50 1qjm s GLU 187 N -3.18 3.24 0.47 1.46 2.56 -0.07 -4.80 118.70 118.37 1qjm s GLU 187 Ca 0.01 -0.81 0.26 0.00 0.00 0.00 0.00 54.97 54.43 1qjm s GLU 187 Cb 0.08 -3.73 1.31 0.00 2.00 0.00 0.00 34.13 33.79 1qjm s GLU 187 CO 0.77 -0.53 1.83 -1.35 -0.56 0.00 0.00 175.26 175.42 1qjm h PRO 188 N 8.45 0.19 -0.01 4.30 0.11 -1.80 -0.58 132.00 142.65 1qjm h PRO 188 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1qjm h PRO 188 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qjm h PRO 188 CO 0.65 0.12 -0.30 0.66 -0.21 0.00 0.00 178.00 178.92 1qjm n TYR 189 N -4.40 0.00 -2.33 0.65 4.01 -1.26 -4.22 117.16 109.61 1qjm n TYR 189 Ca 0.22 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.57 1qjm n TYR 189 Cb 0.95 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.90 1qjm n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1qjm s PHE 190 N -2.41 3.28 0.00 -0.72 5.36 -0.23 -1.07 117.98 122.20 1qjm s PHE 190 Ca 0.24 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 1qjm s PHE 190 Cb 0.19 -3.42 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1qjm s PHE 190 CO 0.51 -1.13 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 1qjm n GLY 191 N 0.90 -1.96 0.26 13.12 0.00 0.19 -3.06 105.19 114.64 1qjm n GLY 191 Ca 0.01 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 1qjm n GLY 191 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qjm h TYR 192 N 0.00 -1.16 -0.11 1.61 0.05 -1.88 1.46 116.97 116.94 1qjm h TYR 192 Ca 0.00 0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1qjm h TYR 192 Cb 0.00 0.58 -0.06 0.00 1.01 0.00 0.00 36.73 38.26 1qjm h TYR 192 CO 0.00 -0.24 -0.53 0.77 -1.05 0.00 0.00 178.16 177.11 1qjm h SER 193 N -0.03 -1.68 -0.24 3.88 0.02 -1.92 0.26 113.55 113.85 1qjm h SER 193 Ca 0.09 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1qjm h SER 193 Cb 0.27 0.65 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 1qjm h SER 193 CO -0.56 -0.48 -0.14 0.61 -1.14 0.00 0.00 176.83 175.12 1qjm n GLY 194 N -1.43 -1.37 0.29 -3.77 0.00 0.43 0.32 105.19 99.67 1qjm n GLY 194 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1qjm n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjm h ALA 195 N -0.12 1.06 -0.14 4.61 0.00 0.22 -0.66 119.26 124.23 1qjm h ALA 195 Ca 0.04 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qjm h ALA 195 Cb 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1qjm h ALA 195 CO -0.22 0.15 -0.08 0.35 0.00 0.00 0.00 179.25 179.44 1qjm h PHE 196 N 0.82 -0.20 -0.41 0.00 3.57 0.71 -1.14 116.94 120.29 1qjm h PHE 196 Ca 0.35 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.93 1qjm h PHE 196 Cb 0.22 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1qjm h PHE 196 CO -0.06 -0.13 0.06 0.87 -2.23 0.00 0.00 178.31 176.82 1qjm h LYS 197 N -0.08 0.17 -0.43 1.11 6.56 -0.19 0.26 116.57 123.98 1qjm h LYS 197 Ca 0.08 -0.01 0.12 0.00 -1.06 0.00 0.00 60.65 59.79 1qjm h LYS 197 Cb 0.20 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1qjm h LYS 197 CO -0.19 0.12 0.67 0.00 -2.06 0.00 0.00 179.45 177.98 1qjm n LEU 199 N -3.29 2.04 -0.23 0.00 7.94 0.47 -0.09 117.00 123.84 1qjm n LEU 199 Ca 0.08 0.33 0.04 0.00 -1.11 0.00 0.00 56.01 55.35 1qjm n LEU 199 Cb 0.83 -0.89 0.16 0.00 0.53 0.00 0.00 43.42 44.04 1qjm n LEU 199 CO 0.20 0.51 0.93 -0.08 -1.11 0.00 0.00 177.39 177.84 1qjm h GLU 200 N -0.87 0.26 -0.14 1.96 4.81 0.28 0.33 114.58 121.21 1qjm h GLU 200 Ca -0.56 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1qjm h GLU 200 Cb 1.55 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1qjm h GLU 200 CO -0.30 0.17 0.00 0.09 -0.73 0.00 0.00 179.01 178.24 1qjm n ASN 201 N -5.15 0.14 0.00 1.04 5.03 0.33 -4.84 115.26 111.81 1qjm n ASN 201 Ca 0.13 -1.34 0.00 0.00 0.87 0.00 0.00 54.58 54.24 1qjm n ASN 201 Cb 0.42 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1qjm n ASN 201 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qjm n GLY 202 N 0.17 0.36 0.11 7.41 0.00 0.12 -4.84 105.19 108.51 1qjm n GLY 202 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1qjm n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjm h ALA 203 N 0.00 0.25 -5.22 4.61 0.00 -1.62 -3.44 119.26 113.84 1qjm h ALA 203 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 1qjm h ALA 203 Cb 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1qjm h ALA 203 CO 0.00 -0.24 -0.35 0.41 0.00 0.00 0.00 179.25 179.07 1qjm n GLY 204 N -1.02 3.28 0.00 0.00 0.00 0.87 -4.88 105.19 103.45 1qjm n GLY 204 Ca -0.03 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.66 1qjm n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjm n ASP 205 N -1.51 2.92 -3.70 1.61 9.92 -0.38 -4.70 116.55 120.71 1qjm n ASP 205 Ca -0.12 -0.17 -0.13 0.00 -0.53 0.00 0.00 54.79 53.84 1qjm n ASP 205 Cb 0.56 0.93 -0.13 0.00 -0.64 0.00 0.00 41.12 41.84 1qjm n ASP 205 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1qjm s VAL 206 N -1.52 -0.19 -0.08 2.53 0.11 -1.16 -4.17 120.40 115.93 1qjm s VAL 206 Ca 0.00 0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1qjm s VAL 206 Cb 0.00 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1qjm s VAL 206 CO 0.00 0.08 -0.05 0.00 -3.33 0.00 0.00 175.10 171.80 1qjm s ALA 207 N 1.73 3.06 -0.40 1.54 0.00 0.13 0.12 121.76 127.94 1qjm s ALA 207 Ca -0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 1qjm s ALA 207 Cb -0.11 -1.31 0.06 0.00 0.00 0.00 0.00 23.12 21.76 1qjm s ALA 207 CO -0.09 0.56 0.22 -0.06 0.00 0.00 0.00 175.76 176.39 1qjm s PHE 208 N -0.76 3.31 0.00 0.00 0.08 -1.25 0.49 117.98 119.86 1qjm s PHE 208 Ca 0.12 -1.45 0.00 0.00 0.12 0.00 0.00 56.93 55.72 1qjm s PHE 208 Cb -0.11 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 1qjm s PHE 208 CO 0.02 -0.80 0.00 1.33 -0.10 0.00 0.00 175.22 175.67 1qjm n VAL 209 N 4.90 0.00 -2.42 -0.44 0.24 -0.03 -3.56 118.33 117.01 1qjm n VAL 209 Ca -0.11 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.82 1qjm n VAL 209 Cb 0.44 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.78 1qjm n VAL 209 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1qjm s LYS 210 N -0.69 4.06 0.55 7.34 2.20 -1.26 -0.71 119.74 131.23 1qjm s LYS 210 Ca 0.00 1.66 0.25 0.00 -0.36 0.00 0.00 55.97 57.52 1qjm s LYS 210 Cb 0.00 -2.56 1.56 0.00 -1.51 0.00 0.00 37.83 35.31 1qjm s LYS 210 CO 0.00 -0.26 2.17 0.38 -0.36 0.00 0.00 175.35 177.28 1qjm h ASP 211 N 2.47 0.00 0.60 1.43 3.04 -1.80 -2.96 116.42 119.21 1qjm h ASP 211 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 1qjm h ASP 211 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1qjm h ASP 211 CO 0.62 0.05 -1.02 -1.54 -2.04 0.00 0.00 179.24 175.30 1qjm n SER 212 N -3.99 0.63 -0.37 4.15 3.41 -1.26 -4.60 113.62 111.59 1qjm n SER 212 Ca -0.03 -0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.48 1qjm n SER 212 Cb 0.13 0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 1qjm n SER 212 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qjm n THR 213 N -2.16 -0.59 0.04 6.66 -1.04 -1.12 0.56 114.28 116.62 1qjm n THR 213 Ca 0.01 2.17 -0.08 0.00 -2.04 0.00 0.00 64.05 64.12 1qjm n THR 213 Cb 0.47 -2.72 -0.05 0.00 -1.82 0.00 0.00 70.33 66.21 1qjm n THR 213 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1qjm h VAL 214 N 0.00 0.00 -0.01 12.58 2.07 -1.81 -0.05 116.25 129.02 1qjm h VAL 214 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1qjm h VAL 214 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1qjm h VAL 214 CO -0.86 0.00 0.08 -0.26 0.02 0.00 0.00 177.57 176.55 1qjm h PHE 215 N -0.35 0.00 0.00 1.57 -1.00 -1.38 0.20 116.94 115.99 1qjm h PHE 215 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1qjm h PHE 215 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1qjm h PHE 215 CO -0.42 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 176.67 1qjm n GLU 216 N -3.16 0.32 0.00 1.51 1.02 0.19 -3.70 120.64 116.82 1qjm n GLU 216 Ca -0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1qjm n GLU 216 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1qjm n GLU 216 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qjm n ASN 217 N -1.26 0.00 -4.29 1.62 3.02 0.56 -4.98 115.26 109.93 1qjm n ASN 217 Ca 0.10 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.20 1qjm n ASN 217 Cb 0.15 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1qjm n ASN 217 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qjm s LEU 218 N 0.00 6.35 0.32 3.41 1.43 -0.29 -4.85 118.68 125.05 1qjm s LEU 218 Ca 0.00 -2.44 0.14 0.00 -1.03 0.00 0.00 54.13 50.80 1qjm s LEU 218 Cb 0.00 -2.15 0.50 0.00 0.03 0.00 0.00 46.19 44.57 1qjm s LEU 218 CO 0.00 -0.62 1.66 -0.65 0.23 0.00 0.00 176.35 176.97 1qjm h PRO 219 N 8.00 0.00 -4.55 1.29 0.11 -1.87 -3.41 132.00 131.57 1qjm h PRO 219 Ca -0.03 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.37 1qjm h PRO 219 Cb 1.05 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.93 1qjm h PRO 219 CO 0.82 0.51 -0.47 -0.51 -0.21 0.00 0.00 178.00 178.14 1qjm s ASP 220 N -6.65 5.95 0.14 -2.05 1.01 -1.26 -4.97 116.67 108.85 1qjm s ASP 220 Ca -0.01 -0.91 -0.01 0.00 0.71 0.00 0.00 52.55 52.34 1qjm s ASP 220 Cb 0.12 -2.10 0.31 0.00 1.01 0.00 0.00 42.92 42.26 1qjm s ASP 220 CO 0.73 -0.41 0.73 1.21 0.21 0.00 0.00 175.17 177.64 1qjm n GLU 221 N 5.09 -0.04 0.01 8.23 2.13 -1.26 0.68 120.64 135.48 1qjm n GLU 221 Ca -0.11 0.71 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 1qjm n GLU 221 Cb 0.47 -1.11 -0.09 0.00 0.27 0.00 0.00 31.44 30.98 1qjm n GLU 221 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qjm h ALA 222 N 0.94 -0.85 -0.76 4.31 0.00 -1.98 0.54 119.26 121.47 1qjm h ALA 222 Ca 0.26 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1qjm h ALA 222 Cb 0.51 0.94 -0.10 0.00 0.00 0.00 0.00 17.79 19.13 1qjm h ALA 222 CO -0.45 -1.02 0.25 0.93 0.00 0.00 0.00 179.25 178.95 1qjm h GLU 223 N -0.53 0.34 0.00 0.00 4.39 -0.16 0.32 114.58 118.94 1qjm h GLU 223 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qjm h GLU 223 Cb 0.60 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1qjm h GLU 223 CO -0.36 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 177.71 1qjm h ARG 224 N 0.35 0.00 -0.00 2.33 3.08 0.42 0.34 114.38 120.90 1qjm h ARG 224 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1qjm h ARG 224 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1qjm h ARG 224 CO -0.47 0.00 -0.26 -0.25 -1.07 0.00 0.00 179.97 177.92 1qjm n ASP 225 N -2.44 0.64 0.21 7.04 9.92 0.11 -3.74 116.55 128.30 1qjm n ASP 225 Ca -0.01 -0.51 0.15 0.00 -0.53 0.00 0.00 54.79 53.88 1qjm n ASP 225 Cb 0.06 0.05 0.53 0.00 -0.64 0.00 0.00 41.12 41.12 1qjm n ASP 225 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1qjm h LYS 226 N 0.61 0.00 -5.45 -1.24 1.57 -0.93 -3.47 116.57 107.65 1qjm h LYS 226 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1qjm h LYS 226 Cb 0.46 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 1qjm h LYS 226 CO 0.00 0.00 -0.57 0.71 -0.57 0.00 0.00 179.45 179.02 1qjm s TYR 227 N -3.44 2.24 0.04 -1.35 1.51 -1.25 -1.76 117.35 113.35 1qjm s TYR 227 Ca 0.04 -0.81 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1qjm s TYR 227 Cb 0.09 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1qjm s TYR 227 CO 0.53 0.31 0.05 0.39 -1.11 0.00 0.00 175.55 175.72 1qjm n GLU 228 N -1.02 0.08 -3.99 -0.62 1.02 0.12 -4.23 120.64 111.99 1qjm n GLU 228 Ca -0.09 -0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 56.41 1qjm n GLU 228 Cb 0.67 0.32 -0.16 0.00 -0.02 0.00 0.00 31.44 32.25 1qjm n GLU 228 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1qjm s LEU 229 N 0.00 2.01 -0.62 -4.62 1.43 -0.27 -2.91 118.68 113.69 1qjm s LEU 229 Ca 0.04 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.14 1qjm s LEU 229 Cb -0.00 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1qjm s LEU 229 CO 0.03 -0.12 1.70 -0.76 0.23 0.00 0.00 176.35 177.43 1qjm s LEU 230 N 1.45 3.28 0.15 1.79 1.43 -0.89 -2.13 118.68 123.76 1qjm s LEU 230 Ca 0.01 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 1qjm s LEU 230 Cb -0.15 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.38 1qjm s LEU 230 CO -0.09 -2.19 0.84 0.00 0.23 0.00 0.00 176.35 175.14 1qjm n PRO 232 N 1.99 0.00 0.00 0.00 -0.04 -1.26 0.36 135.00 136.05 1qjm n PRO 232 Ca -0.03 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1qjm n PRO 232 Cb 0.49 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.23 1qjm n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qjm n ASP 233 N -1.20 0.89 0.00 3.54 5.68 -1.26 -4.96 116.55 119.24 1qjm n ASP 233 Ca 0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1qjm n ASP 233 Cb 0.26 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 1qjm n ASP 233 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qjm n ASN 234 N -1.36 0.00 -3.50 -1.12 3.02 0.16 -5.08 115.26 107.37 1qjm n ASN 234 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1qjm n ASN 234 Cb 0.34 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1qjm n ASN 234 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1qjm n THR 235 N -1.40 0.00 -4.06 3.41 -2.24 -1.23 -4.87 114.28 103.90 1qjm n THR 235 Ca 0.00 -1.42 -0.16 0.00 -2.27 0.00 0.00 64.05 60.21 1qjm n THR 235 Cb 0.00 0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 1qjm n THR 235 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qjm s ARG 236 N -3.06 0.35 0.37 -0.78 0.52 -1.26 -2.11 118.95 112.97 1qjm s ARG 236 Ca 0.01 -0.09 0.05 0.00 -0.52 0.00 0.00 55.73 55.18 1qjm s ARG 236 Cb 0.00 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.08 1qjm s ARG 236 CO 0.01 0.03 0.19 1.63 0.02 0.00 0.00 175.30 177.18 1qjm n LYS 237 N 3.28 0.51 -2.58 3.54 5.02 -0.91 -4.94 118.16 122.09 1qjm n LYS 237 Ca -0.16 -3.29 -0.40 0.00 -2.02 0.00 0.00 58.31 52.44 1qjm n LYS 237 Cb 0.56 2.12 -0.05 0.00 -0.02 0.00 0.00 35.03 37.64 1qjm n LYS 237 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qjm s PRO 238 N -3.43 4.71 0.51 1.97 0.04 -1.26 -1.12 135.00 136.43 1qjm s PRO 238 Ca 0.27 1.68 0.06 0.00 0.04 0.00 0.00 61.00 63.05 1qjm s PRO 238 Cb 0.01 -3.23 0.30 0.00 0.04 0.00 0.00 34.50 31.62 1qjm s PRO 238 CO 0.19 0.31 1.07 -0.39 0.04 0.00 0.00 177.00 178.22 1qjm h VAL 239 N 3.17 0.00 -0.51 -0.36 -1.51 -1.84 0.32 116.25 115.52 1qjm h VAL 239 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.96 1qjm h VAL 239 Cb 1.21 0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1qjm h VAL 239 CO 0.68 0.00 0.05 -0.90 -1.23 0.00 0.00 177.57 176.17 1qjm n ASP 240 N -2.25 4.96 -0.77 4.19 5.68 -1.26 -4.22 116.55 122.88 1qjm n ASP 240 Ca -0.00 -3.04 0.02 0.00 -0.50 0.00 0.00 54.79 51.27 1qjm n ASP 240 Cb 0.75 -0.66 0.19 0.00 -1.14 0.00 0.00 41.12 40.26 1qjm n ASP 240 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qjm n ALA 241 N 0.10 3.84 -0.29 2.12 0.00 0.11 -4.68 120.51 121.70 1qjm n ALA 241 Ca 0.29 -3.37 0.20 0.00 0.00 0.00 0.00 53.44 50.56 1qjm n ALA 241 Cb 1.15 -0.35 0.49 0.00 0.00 0.00 0.00 19.45 20.74 1qjm n ALA 241 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qjm h PHE 242 N 1.14 0.65 -0.92 0.00 -0.00 -1.73 0.62 116.94 116.71 1qjm h PHE 242 Ca 0.05 0.02 0.25 0.00 -0.00 0.00 0.00 57.97 58.29 1qjm h PHE 242 Cb 1.07 -0.19 -0.16 0.00 -0.00 0.00 0.00 35.95 36.66 1qjm h PHE 242 CO 0.77 0.12 0.13 0.87 -0.00 0.00 0.00 178.31 180.21 1qjm h LYS 243 N 0.44 0.09 0.07 6.09 1.57 -1.94 0.13 116.57 123.02 1qjm h LYS 243 Ca 0.54 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.94 1qjm h LYS 243 Cb 1.30 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1qjm h LYS 243 CO -0.25 0.06 -2.19 0.39 -0.57 0.00 0.00 179.45 176.89 1qjm n GLU 244 N -5.36 0.71 -3.00 3.15 4.71 0.75 -4.75 120.64 116.85 1qjm n GLU 244 Ca 0.22 0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 57.16 1qjm n GLU 244 Cb 0.73 -1.63 -0.06 0.00 -1.01 0.00 0.00 31.44 29.47 1qjm n GLU 244 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1qjm s HIS 246 N 3.20 -0.31 0.12 0.00 -3.43 -1.20 -4.02 115.29 109.65 1qjm s HIS 246 Ca 0.26 0.69 -0.16 0.00 -0.80 0.00 0.00 55.06 55.06 1qjm s HIS 246 Cb -0.14 0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 31.41 1qjm s HIS 246 CO 0.19 -0.19 1.58 -0.07 -2.00 0.00 0.00 174.74 174.26 1qjm h LEU 247 N 3.36 0.62 0.00 5.38 3.38 -1.05 -3.43 115.31 123.58 1qjm h LEU 247 Ca -0.24 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.47 1qjm h LEU 247 Cb 1.18 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1qjm h LEU 247 CO 0.18 0.75 0.33 0.00 0.09 0.00 0.00 178.44 179.79 1qjm n ALA 248 N -2.37 -1.81 -2.41 1.53 0.00 -1.06 -5.02 120.51 109.37 1qjm n ALA 248 Ca -0.01 -1.06 -0.28 0.00 0.00 0.00 0.00 53.44 52.09 1qjm n ALA 248 Cb 0.25 0.78 -0.15 0.00 0.00 0.00 0.00 19.45 20.33 1qjm n ALA 248 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1qjm s ARG 249 N -2.07 1.66 -0.02 0.00 3.52 -1.26 0.39 118.95 121.17 1qjm s ARG 249 Ca 0.16 -0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 1qjm s ARG 249 Cb -0.04 -1.72 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 1qjm s ARG 249 CO 0.09 0.45 0.10 0.14 -0.81 0.00 0.00 175.30 175.27 1qjm s VAL 250 N -0.69 0.03 0.73 7.11 -7.23 0.47 -4.82 120.40 116.00 1qjm s VAL 250 Ca 0.09 -0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 1qjm s VAL 250 Cb -0.09 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.61 1qjm s VAL 250 CO 0.01 -0.15 0.93 -0.81 -0.31 0.00 0.00 175.10 174.76 1qjm n PRO 251 N 2.46 0.47 -0.72 4.82 -0.04 -1.26 0.13 135.00 140.86 1qjm n PRO 251 Ca -0.16 0.21 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 1qjm n PRO 251 Cb 0.58 -2.19 0.19 0.00 -0.04 0.00 0.00 33.50 32.04 1qjm n PRO 251 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qjm s SER 252 N -1.65 2.28 0.49 3.54 1.04 0.31 -4.63 113.70 115.08 1qjm s SER 252 Ca 0.72 1.84 -0.20 0.00 0.48 0.00 0.00 55.95 58.80 1qjm s SER 252 Cb -0.34 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.27 1qjm s SER 252 CO 0.51 -3.44 1.03 -1.00 0.98 0.00 0.00 173.24 171.32 1qjm s HIS 253 N -2.62 3.03 0.03 5.02 3.76 -1.26 -4.44 115.29 118.81 1qjm s HIS 253 Ca 0.67 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 57.14 1qjm s HIS 253 Cb -0.23 -3.04 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 1qjm s HIS 253 CO 0.60 -0.78 -0.01 0.00 -0.85 0.00 0.00 174.74 173.70 1qjm s ALA 254 N -2.05 0.18 -0.26 -1.40 0.00 0.17 -2.71 121.76 115.68 1qjm s ALA 254 Ca 0.66 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 1qjm s ALA 254 Cb -0.15 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1qjm s ALA 254 CO 0.21 -0.22 1.00 0.08 0.00 0.00 0.00 175.76 176.82 1qjm s VAL 255 N -2.08 4.67 0.22 0.00 1.01 0.22 0.63 120.40 125.07 1qjm s VAL 255 Ca -0.10 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.78 1qjm s VAL 255 Cb -0.05 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1qjm s VAL 255 CO -0.03 -0.24 0.05 0.68 0.00 0.00 0.00 175.10 175.56 1qjm s VAL 256 N 3.24 3.85 0.00 2.92 -7.23 -1.06 -0.09 120.40 122.02 1qjm s VAL 256 Ca 0.42 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1qjm s VAL 256 Cb -0.14 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1qjm s VAL 256 CO 0.09 -0.24 0.00 0.00 -0.31 0.00 0.00 175.10 174.64 1qjm n ALA 257 N -0.58 0.00 -1.77 1.32 0.00 -0.99 -3.64 120.51 114.85 1qjm n ALA 257 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 1qjm n ALA 257 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1qjm n ALA 257 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qjm s ARG 258 N 0.79 4.56 0.35 0.00 0.52 -1.26 -0.03 118.95 123.88 1qjm s ARG 258 Ca 0.00 1.53 0.03 0.00 -0.52 0.00 0.00 55.73 56.77 1qjm s ARG 258 Cb 0.00 -2.94 0.66 0.00 0.52 0.00 0.00 34.95 33.18 1qjm s ARG 258 CO 0.00 0.22 1.97 0.77 0.02 0.00 0.00 175.30 178.28 1qjm h SER 259 N 3.39 0.63 -4.15 0.23 0.02 -1.72 -3.28 113.55 108.65 1qjm h SER 259 Ca -0.47 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.09 1qjm h SER 259 Cb 1.20 -0.16 -0.27 0.00 0.14 0.00 0.00 62.40 63.32 1qjm h SER 259 CO 0.65 0.52 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.41 1qjm s VAL 260 N -5.46 0.59 -1.38 2.27 1.01 -1.26 -4.82 120.40 111.35 1qjm s VAL 260 Ca -0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1qjm s VAL 260 Cb 0.17 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 36.06 1qjm s VAL 260 CO 0.76 0.03 0.54 0.47 0.00 0.00 0.00 175.10 176.90 1qjm n ASP 261 N 2.52 -4.62 0.20 3.32 9.92 -1.26 -4.88 116.55 121.75 1qjm n ASP 261 Ca -0.15 -0.35 0.05 0.00 -0.53 0.00 0.00 54.79 53.80 1qjm n ASP 261 Cb 0.57 -3.78 0.42 0.00 -0.64 0.00 0.00 41.12 37.69 1qjm n ASP 261 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1qjm h GLY 262 N -1.14 0.00 -0.67 0.44 0.00 -1.88 -3.46 103.07 96.36 1qjm h GLY 262 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1qjm h GLY 262 CO 0.55 0.00 -0.05 0.54 0.00 0.00 0.00 176.54 177.57 1qjm n ARG 263 N -3.89 -0.34 -0.37 4.80 1.74 -1.26 -4.61 116.66 112.73 1qjm n ARG 263 Ca -0.02 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 57.09 1qjm n ARG 263 Cb 0.40 -3.38 -0.03 0.00 -1.02 0.00 0.00 32.46 28.43 1qjm n ARG 263 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qjm n GLU 264 N -1.08 -0.32 -0.28 5.56 1.02 -1.26 0.72 120.64 125.00 1qjm n GLU 264 Ca -0.01 1.40 0.33 0.00 -0.02 0.00 0.00 57.16 58.86 1qjm n GLU 264 Cb 0.51 -2.07 0.61 0.00 -0.02 0.00 0.00 31.44 30.48 1qjm n GLU 264 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1qjm h ASP 265 N 0.00 0.00 0.10 1.62 3.04 -2.00 0.49 116.42 119.67 1qjm h ASP 265 Ca 0.23 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 53.73 1qjm h ASP 265 Cb 0.46 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.73 1qjm h ASP 265 CO -0.89 0.00 -1.49 -0.07 -2.04 0.00 0.00 179.24 174.76 1qjm h LEU 266 N 0.00 0.32 0.28 0.15 4.07 -0.08 -3.34 115.31 116.70 1qjm h LEU 266 Ca 0.54 -0.82 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1qjm h LEU 266 Cb 2.70 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 44.32 1qjm h LEU 266 CO -0.01 1.64 -0.35 0.40 -1.08 0.00 0.00 178.44 179.05 1qjm h ILE 267 N -0.36 0.00 -0.67 1.22 2.04 0.34 -1.01 117.51 119.08 1qjm h ILE 267 Ca -0.33 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.70 1qjm h ILE 267 Cb 1.73 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1qjm h ILE 267 CO 0.02 0.00 0.47 -0.25 0.00 0.00 0.00 178.15 178.39 1qjm h TRP 268 N -0.64 0.17 -0.16 1.37 2.91 -1.52 0.20 115.95 118.28 1qjm h TRP 268 Ca -0.03 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 1qjm h TRP 268 Cb 0.57 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1qjm h TRP 268 CO -0.25 0.06 -0.01 0.87 -1.03 0.00 0.00 178.44 178.08 1qjm h LYS 269 N 0.15 0.29 0.19 2.65 1.57 -1.47 0.11 116.57 120.04 1qjm h LYS 269 Ca 0.32 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1qjm h LYS 269 Cb 1.07 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1qjm h LYS 269 CO -0.05 0.53 -0.42 1.25 -0.57 0.00 0.00 179.45 180.20 1qjm h LEU 270 N 0.01 -1.20 -0.55 2.94 5.85 0.61 -0.78 115.31 122.19 1qjm h LEU 270 Ca 0.04 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1qjm h LEU 270 Cb 0.41 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1qjm h LEU 270 CO 0.01 -0.50 0.33 -0.07 -0.34 0.00 0.00 178.44 177.87 1qjm h LEU 271 N -0.69 0.65 -0.76 2.25 3.38 -1.15 -0.34 115.31 118.64 1qjm h LEU 271 Ca 0.01 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1qjm h LEU 271 Cb 0.69 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 1qjm h LEU 271 CO -0.20 0.51 0.42 -0.74 0.09 0.00 0.00 178.44 178.52 1qjm h HIS 272 N 0.73 0.76 -0.10 1.13 2.76 -0.28 0.49 115.15 120.64 1qjm h HIS 272 Ca 0.20 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.20 1qjm h HIS 272 Cb -0.02 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1qjm h HIS 272 CO -0.03 0.32 -0.74 0.00 -1.30 0.00 0.00 177.93 176.18 1qjm h ARG 273 N 0.72 0.49 -0.49 5.26 2.47 -0.97 -2.84 114.38 119.02 1qjm h ARG 273 Ca 0.36 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1qjm h ARG 273 Cb 0.32 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1qjm h ARG 273 CO -0.24 1.03 0.32 0.00 0.56 0.00 0.00 179.97 181.64 1qjm h ALA 274 N 0.86 0.62 -0.21 0.04 0.00 0.95 2.57 119.26 124.08 1qjm h ALA 274 Ca -0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1qjm h ALA 274 Cb 1.32 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1qjm h ALA 274 CO 0.13 0.07 -0.14 1.96 0.00 0.00 0.00 179.25 181.27 1qjm h GLN 275 N 0.66 -0.13 0.00 0.00 4.20 -0.15 -1.63 115.11 118.07 1qjm h GLN 275 Ca 0.18 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1qjm h GLN 275 Cb -0.07 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1qjm h GLN 275 CO -0.04 -0.08 0.00 1.49 -0.67 0.00 0.00 178.83 179.53 1qjm h GLU 276 N -0.13 0.00 -0.00 1.46 4.81 -0.69 0.38 114.58 120.41 1qjm h GLU 276 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1qjm h GLU 276 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1qjm h GLU 276 CO -0.29 0.00 -0.51 -1.91 -0.73 0.00 0.00 179.01 175.57 1qjm n GLU 277 N -2.69 3.37 -0.68 1.92 4.07 0.84 -4.79 120.64 122.68 1qjm n GLU 277 Ca 0.01 -0.02 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1qjm n GLU 277 Cb 0.24 -1.02 -0.02 0.00 -0.06 0.00 0.00 31.44 30.59 1qjm n GLU 277 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1qjm n PHE 278 N -1.23 0.00 -0.66 4.31 3.01 -0.67 -4.53 117.46 117.70 1qjm n PHE 278 Ca 0.02 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1qjm n PHE 278 Cb 0.17 0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1qjm n PHE 278 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qjm n GLY 279 N 0.02 0.54 2.24 1.37 0.00 0.13 -0.10 105.19 109.41 1qjm n GLY 279 Ca -0.07 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 1qjm n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qjm n ARG 280 N 0.00 0.00 -0.92 1.61 5.12 -1.26 -2.15 116.66 119.06 1qjm n ARG 280 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1qjm n ARG 280 Cb 0.00 -0.82 -0.02 0.00 -1.16 0.00 0.00 32.46 30.46 1qjm n ARG 280 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1qjm n ASN 281 N 5.32 -3.14 -0.17 0.55 5.15 -1.26 -4.88 115.26 116.83 1qjm n ASN 281 Ca 0.43 0.14 -0.04 0.00 -0.60 0.00 0.00 54.58 54.50 1qjm n ASN 281 Cb 0.05 -2.49 0.05 0.00 -0.53 0.00 0.00 39.78 36.86 1qjm n ASN 281 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1qjm h LYS 282 N 0.00 0.51 0.00 1.20 1.79 -1.76 -3.46 116.57 114.86 1qjm h LYS 282 Ca -0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1qjm h LYS 282 Cb 0.64 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1qjm h LYS 282 CO 0.17 0.34 0.00 0.45 -1.08 0.00 0.00 179.45 179.33 1qjm n SER 283 N -4.86 0.52 0.00 0.86 2.88 -1.26 -5.02 113.62 106.73 1qjm n SER 283 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1qjm n SER 283 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1qjm n SER 283 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qjm n SER 284 N 0.00 0.00 0.03 -3.46 3.41 -1.26 -4.84 113.62 107.50 1qjm n SER 284 Ca 0.00 -0.58 0.11 0.00 -0.26 0.00 0.00 58.87 58.14 1qjm n SER 284 Cb 0.00 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 1qjm n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjm n ALA 285 N 0.00 1.95 -3.61 7.33 0.00 -1.26 -4.85 120.51 120.06 1qjm n ALA 285 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1qjm n ALA 285 Cb 0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1qjm n ALA 285 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1qjm s PHE 286 N -3.06 -0.10 -0.07 0.00 5.36 -1.26 -5.02 117.98 113.83 1qjm s PHE 286 Ca 0.09 0.10 -0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1qjm s PHE 286 Cb 0.13 0.50 0.04 0.00 -0.34 0.00 0.00 43.02 43.35 1qjm s PHE 286 CO 0.41 -0.14 0.13 -0.65 -1.46 0.00 0.00 175.22 173.51 1qjm s GLN 287 N -1.92 0.02 0.00 10.12 1.11 -1.26 -4.73 119.66 123.00 1qjm s GLN 287 Ca 0.09 0.48 0.00 0.00 0.01 0.00 0.00 55.36 55.94 1qjm s GLN 287 Cb -0.01 -0.30 0.00 0.00 -1.01 0.00 0.00 33.01 31.69 1qjm s GLN 287 CO -0.04 -0.28 0.89 -0.11 0.01 0.00 0.00 175.29 175.76 1qjm n LEU 288 N 5.10 0.00 -1.69 2.90 7.94 0.86 -3.00 117.00 129.11 1qjm n LEU 288 Ca -0.09 0.89 -0.02 0.00 -1.11 0.00 0.00 56.01 55.69 1qjm n LEU 288 Cb 0.50 -0.39 -0.03 0.00 0.53 0.00 0.00 43.42 44.03 1qjm n LEU 288 CO 0.08 -0.39 0.96 0.49 -1.11 0.00 0.00 177.39 177.41 1qjm n PHE 289 N -1.79 0.00 -4.47 1.96 3.72 -1.26 -4.65 117.46 110.97 1qjm n PHE 289 Ca 0.00 -0.92 -0.22 0.00 -0.05 0.00 0.00 57.45 56.26 1qjm n PHE 289 Cb 0.00 -0.66 -0.16 0.00 -0.94 0.00 0.00 39.48 37.72 1qjm n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1qjm s GLY 290 N 2.04 0.65 0.30 1.37 0.00 -1.16 -1.92 107.32 108.60 1qjm s GLY 290 Ca 0.12 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1qjm s GLY 290 CO 0.00 0.06 0.09 -0.56 0.00 0.00 0.00 173.10 172.68 1qjm s SER 291 N 0.48 1.85 0.79 1.64 0.01 -1.26 -4.89 113.70 112.32 1qjm s SER 291 Ca -0.09 -1.41 -0.11 0.00 1.31 0.00 0.00 55.95 55.65 1qjm s SER 291 Cb -0.13 0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.27 1qjm s SER 291 CO 0.02 -0.70 1.09 0.42 0.41 0.00 0.00 173.24 174.48 1qjm s THR 292 N -3.50 3.19 0.33 1.44 -4.23 -1.15 -4.93 115.64 106.78 1qjm s THR 292 Ca 0.36 0.39 0.11 0.00 -1.18 0.00 0.00 61.69 61.37 1qjm s THR 292 Cb 0.08 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1qjm s THR 292 CO 0.15 -0.51 1.74 -0.65 -0.54 0.00 0.00 174.62 174.81 1qjm h PRO 293 N -1.22 0.04 0.05 3.99 0.11 -2.01 -3.17 132.00 129.79 1qjm h PRO 293 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qjm h PRO 293 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1qjm h PRO 293 CO 0.51 0.49 -0.13 0.78 -0.21 0.00 0.00 178.00 179.44 1qjm h GLY 294 N 1.36 -1.12 -5.11 -0.55 0.00 -2.03 -3.44 103.07 92.19 1qjm h GLY 294 Ca -0.00 0.51 -0.46 0.00 0.00 0.00 0.00 47.33 47.38 1qjm h GLY 294 CO 0.06 -0.39 -0.80 -0.54 0.00 0.00 0.00 176.54 174.87 1qjm s GLU 295 N -3.68 1.04 0.28 4.80 8.01 -1.20 -5.07 118.70 122.88 1qjm s GLU 295 Ca -0.04 -0.45 0.01 0.00 0.01 0.00 0.00 54.97 54.50 1qjm s GLU 295 Cb 0.01 -1.00 0.05 0.00 -4.31 0.00 0.00 34.13 28.89 1qjm s GLU 295 CO 0.15 0.27 0.38 1.04 0.01 0.00 0.00 175.26 177.11 1qjm n GLN 296 N 2.79 0.45 -4.00 1.61 1.13 -1.25 -2.95 117.38 115.16 1qjm n GLN 296 Ca -0.14 -1.13 -0.32 0.00 -1.94 0.00 0.00 57.00 53.47 1qjm n GLN 296 Cb 0.56 -0.22 -0.02 0.00 0.11 0.00 0.00 30.24 30.66 1qjm n GLN 296 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1qjm n ASP 297 N -2.91 -1.80 -4.58 1.08 8.00 -1.26 -4.91 116.55 110.17 1qjm n ASP 297 Ca 0.07 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.03 1qjm n ASP 297 Cb 0.24 -2.56 -0.06 0.00 -0.02 0.00 0.00 41.12 38.71 1qjm n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qjm s LEU 298 N -7.05 4.23 0.00 0.64 1.43 -1.26 -4.47 118.68 112.20 1qjm s LEU 298 Ca 0.19 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1qjm s LEU 298 Cb -0.09 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1qjm s LEU 298 CO 0.92 -0.60 0.00 0.18 0.23 0.00 0.00 176.35 177.09 1qjm n LEU 299 N 6.07 0.00 -4.28 1.79 4.77 -1.26 -4.79 117.00 119.29 1qjm n LEU 299 Ca -0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 1qjm n LEU 299 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1qjm n LEU 299 CO 0.49 0.00 -0.13 -0.36 -1.33 0.00 0.00 177.39 176.07 1qjm s PHE 300 N 0.00 1.71 -0.18 -1.77 0.08 -1.26 -4.42 117.98 112.13 1qjm s PHE 300 Ca 0.00 -1.63 -0.20 0.00 0.12 0.00 0.00 56.93 55.23 1qjm s PHE 300 Cb 0.00 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 1qjm s PHE 300 CO 0.00 -0.83 0.58 0.21 -0.10 0.00 0.00 175.22 175.08 1qjm s LYS 301 N -3.52 4.24 0.19 0.44 2.47 -1.26 -4.55 119.74 117.75 1qjm s LYS 301 Ca 0.40 0.54 -0.32 0.00 -1.56 0.00 0.00 55.97 55.03 1qjm s LYS 301 Cb 0.03 -3.55 -0.15 0.00 -1.46 0.00 0.00 37.83 32.70 1qjm s LYS 301 CO 0.26 -0.14 1.28 -0.25 0.16 0.00 0.00 175.35 176.66 1qjm n ASP 302 N 4.69 1.95 -3.19 1.43 8.00 -1.26 -2.48 116.55 125.70 1qjm n ASP 302 Ca -0.03 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.42 1qjm n ASP 302 Cb 0.50 -1.30 0.07 0.00 -0.02 0.00 0.00 41.12 40.37 1qjm n ASP 302 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qjm n SER 303 N 2.14 -4.52 -4.65 -2.24 7.64 -0.81 -4.98 113.62 106.21 1qjm n SER 303 Ca 0.14 -0.50 -0.38 0.00 1.01 0.00 0.00 58.87 59.14 1qjm n SER 303 Cb 0.27 -4.51 -0.08 0.00 -1.01 0.00 0.00 64.21 58.88 1qjm n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjm s ALA 304 N -3.29 3.57 0.20 -0.43 0.00 -1.03 -4.54 121.76 116.23 1qjm s ALA 304 Ca 0.34 -0.65 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 1qjm s ALA 304 Cb -0.15 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.43 1qjm s ALA 304 CO 0.64 -0.43 1.55 -0.07 0.00 0.00 0.00 175.76 177.45 1qjm h LEU 305 N 8.00 -1.74 0.00 0.00 3.38 0.22 -3.45 115.31 121.72 1qjm h LEU 305 Ca -0.34 0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qjm h LEU 305 Cb 1.16 0.84 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1qjm h LEU 305 CO 0.69 -0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1qjm n GLY 306 N -1.38 -0.66 3.63 0.83 0.00 -1.22 -4.46 105.19 101.93 1qjm n GLY 306 Ca 0.07 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1qjm n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qjm s PHE 307 N -3.98 2.46 0.02 1.61 0.08 -1.25 0.57 117.98 117.48 1qjm s PHE 307 Ca 0.00 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.37 1qjm s PHE 307 Cb 0.00 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1qjm s PHE 307 CO 0.00 0.43 -0.05 0.14 -0.10 0.00 0.00 175.22 175.63 1qjm s VAL 308 N -2.73 0.39 -0.32 -0.44 -7.23 0.21 -4.94 120.40 105.34 1qjm s VAL 308 Ca 0.33 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 1qjm s VAL 308 Cb 0.09 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 1qjm s VAL 308 CO 0.17 -0.13 0.49 -0.60 -0.31 0.00 0.00 175.10 174.71 1qjm s ARG 309 N -0.77 3.75 0.30 4.82 3.52 -1.26 -0.16 118.95 129.15 1qjm s ARG 309 Ca -0.04 -0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 1qjm s ARG 309 Cb -0.05 -3.76 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 1qjm s ARG 309 CO -0.00 -0.54 1.16 0.42 -0.81 0.00 0.00 175.30 175.53 1qjm s ILE 310 N 2.32 3.25 0.57 4.11 1.01 0.88 -4.96 121.20 128.37 1qjm s ILE 310 Ca 0.18 1.25 -0.19 0.00 0.00 0.00 0.00 60.65 61.89 1qjm s ILE 310 Cb -0.16 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1qjm s ILE 310 CO 0.12 0.29 1.17 -2.84 0.00 0.00 0.00 174.94 173.68 1qjm s PRO 311 N -1.58 3.17 0.25 2.79 0.02 -1.26 -4.92 135.00 133.47 1qjm s PRO 311 Ca 0.46 1.72 -0.05 0.00 0.02 0.00 0.00 61.00 63.16 1qjm s PRO 311 Cb -0.34 -1.97 0.28 0.00 0.02 0.00 0.00 34.50 32.48 1qjm s PRO 311 CO 0.44 -1.02 1.83 0.77 -0.33 0.00 0.00 177.00 178.69 1qjm h SER 312 N 1.06 0.99 0.10 2.53 0.02 -1.94 -2.75 113.55 113.56 1qjm h SER 312 Ca -0.50 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1qjm h SER 312 Cb 1.28 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1qjm h SER 312 CO 0.56 0.87 0.00 -0.61 -1.14 0.00 0.00 176.83 176.51 1qjm h GLN 313 N 1.07 0.00 -6.27 3.45 4.15 -1.96 -3.40 115.11 112.15 1qjm h GLN 313 Ca 0.25 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 59.12 1qjm h GLN 313 Cb 0.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1qjm h GLN 313 CO -0.03 0.00 1.15 0.42 -1.93 0.00 0.00 178.83 178.44 1qjm s ILE 314 N -4.04 3.45 0.16 2.39 1.01 -1.04 -4.95 121.20 118.17 1qjm s ILE 314 Ca -0.04 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.24 1qjm s ILE 314 Cb 0.12 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1qjm s ILE 314 CO 0.40 -0.08 -0.16 1.51 0.00 0.00 0.00 174.94 176.61 1qjm s ASP 315 N 3.99 3.96 0.03 3.58 -4.77 -1.26 -4.76 116.67 117.44 1qjm s ASP 315 Ca 0.78 -0.62 -0.07 0.00 -3.30 0.00 0.00 52.55 49.34 1qjm s ASP 315 Cb -0.34 -0.57 -0.01 0.00 -1.09 0.00 0.00 42.92 40.91 1qjm s ASP 315 CO 0.32 0.14 0.62 -1.54 0.70 0.00 0.00 175.17 175.41 1qjm n SER 316 N 0.40 -0.23 -0.10 2.11 3.41 -1.26 -2.11 113.62 115.84 1qjm n SER 316 Ca -0.13 0.67 -0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1qjm n SER 316 Cb 0.54 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1qjm n SER 316 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qjm n GLY 317 N -1.05 -1.85 0.29 5.00 0.00 -1.26 0.18 105.19 106.51 1qjm n GLY 317 Ca 0.00 0.52 -0.06 0.00 0.00 0.00 0.00 46.02 46.48 1qjm n GLY 317 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qjm h LEU 318 N 0.00 -0.87 -0.91 0.99 3.38 -1.77 0.35 115.31 116.49 1qjm h LEU 318 Ca 0.04 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.40 1qjm h LEU 318 Cb 0.10 0.44 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 1qjm h LEU 318 CO -0.23 -0.28 0.42 0.22 0.09 0.00 0.00 178.44 178.66 1qjm h TYR 319 N -0.18 0.70 0.29 1.13 3.20 0.22 0.72 116.97 123.05 1qjm h TYR 319 Ca 0.19 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1qjm h TYR 319 Cb 0.49 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1qjm h TYR 319 CO -0.49 -0.03 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.79 1qjm h LEU 320 N 0.43 -0.33 0.00 2.82 3.38 0.15 -3.48 115.31 118.27 1qjm h LEU 320 Ca 0.57 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1qjm h LEU 320 Cb 1.06 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1qjm h LEU 320 CO -0.52 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.45 1qjm n GLY 321 N -0.26 2.64 0.02 0.83 0.00 0.25 -4.84 105.19 103.82 1qjm n GLY 321 Ca -0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 43.98 1qjm n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjm h ALA 322 N 0.00 -0.67 -0.72 4.61 0.00 -1.79 -2.71 119.26 117.98 1qjm h ALA 322 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1qjm h ALA 322 Cb 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 1qjm h ALA 322 CO 0.00 -0.67 0.19 0.09 0.00 0.00 0.00 179.25 178.86 1qjm n ASN 323 N -2.47 0.08 0.13 0.00 4.13 -1.26 -0.14 115.26 115.73 1qjm n ASN 323 Ca -0.00 1.21 -0.24 0.00 1.68 0.00 0.00 54.58 57.23 1qjm n ASN 323 Cb 0.02 -0.51 -0.16 0.00 -1.54 0.00 0.00 39.78 37.59 1qjm n ASN 323 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1qjm h TYR 324 N 0.00 0.90 -0.59 3.10 3.20 -1.87 -3.29 116.97 118.42 1qjm h TYR 324 Ca 0.52 -0.65 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 1qjm h TYR 324 Cb 1.24 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1qjm h TYR 324 CO -0.20 1.52 0.18 -0.07 -1.64 0.00 0.00 178.16 177.96 1qjm h LEU 325 N 0.04 0.82 0.57 2.82 3.38 -0.21 -0.43 115.31 122.30 1qjm h LEU 325 Ca -0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1qjm h LEU 325 Cb 2.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1qjm h LEU 325 CO 0.25 0.77 -0.30 0.71 0.09 0.00 0.00 178.44 179.96 1qjm h THR 326 N 0.86 0.39 -0.49 0.22 1.35 -1.50 0.14 112.91 113.89 1qjm h THR 326 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.03 1qjm h THR 326 Cb 0.25 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1qjm h THR 326 CO -0.01 0.00 0.20 0.00 -0.25 0.00 0.00 175.52 175.46 1qjm h ALA 327 N -0.38 0.63 0.51 6.62 0.00 -1.60 1.59 119.26 126.63 1qjm h ALA 327 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qjm h ALA 327 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qjm h ALA 327 CO 0.11 0.23 -0.44 1.15 0.00 0.00 0.00 179.25 180.30 1qjm h THR 328 N 0.64 0.13 -0.06 0.00 2.02 -0.96 0.43 112.91 115.11 1qjm h THR 328 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1qjm h THR 328 Cb 0.18 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1qjm h THR 328 CO -0.01 0.00 0.05 1.56 0.37 0.00 0.00 175.52 177.48 1qjm h GLN 329 N -0.94 0.00 -0.82 6.66 4.20 -0.34 -1.65 115.11 122.21 1qjm h GLN 329 Ca -0.06 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1qjm h GLN 329 Cb 0.80 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1qjm h GLN 329 CO -0.02 0.00 0.54 -0.91 -0.67 0.00 0.00 178.83 177.76 1qjm h ASN 330 N 0.00 0.77 0.00 1.46 -0.26 0.68 0.14 115.58 118.37 1qjm h ASN 330 Ca 0.03 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1qjm h ASN 330 Cb 0.13 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1qjm h ASN 330 CO -0.00 0.49 0.00 0.18 -1.06 0.00 0.00 177.43 177.04 1qjm n LEU 331 N -4.49 0.00 -1.37 1.61 4.77 -0.41 -2.98 117.00 114.13 1qjm n LEU 331 Ca 0.13 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 1qjm n LEU 331 Cb 0.24 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1qjm n LEU 331 CO 0.33 0.00 0.10 -2.11 -1.33 0.00 0.00 177.39 174.38 1qjm n ARG 332 N -0.70 0.00 -4.12 3.23 0.00 0.46 -4.87 116.66 110.66 1qjm n ARG 332 Ca 0.06 -1.82 -0.13 0.00 -0.00 0.00 0.00 57.85 55.96 1qjm n ARG 332 Cb 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.38 1qjm n ARG 332 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1qjm s GLU 333 N 0.00 0.70 0.67 2.89 2.02 -1.13 -4.87 118.70 118.99 1qjm s GLU 333 Ca 0.28 -1.02 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 1qjm s GLU 333 Cb 0.32 -0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 1qjm s GLU 333 CO -0.14 0.04 1.06 0.95 0.02 0.00 0.00 175.26 177.19 1qjm s THR 334 N -2.27 4.11 0.12 3.63 -4.23 -1.26 -4.45 115.64 111.30 1qjm s THR 334 Ca 0.00 0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 60.92 1qjm s THR 334 Cb -0.04 -3.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 1qjm s THR 334 CO -0.01 -0.90 1.60 0.00 -0.54 0.00 0.00 174.62 174.78 1qjm h ALA 335 N -0.56 -0.54 -0.71 3.99 0.00 -1.92 0.67 119.26 120.18 1qjm h ALA 335 Ca -0.44 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1qjm h ALA 335 Cb 1.22 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 1qjm h ALA 335 CO 0.61 -0.88 -0.47 0.00 0.00 0.00 0.00 179.25 178.51 1qjm h ALA 336 N 0.15 -0.49 -0.78 0.00 0.00 -1.95 1.39 119.26 117.58 1qjm h ALA 336 Ca 0.06 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1qjm h ALA 336 Cb 0.60 1.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.52 1qjm h ALA 336 CO -0.29 -0.81 -0.43 0.93 0.00 0.00 0.00 179.25 178.66 1qjm h GLU 337 N -0.06 -0.10 0.00 0.00 5.08 -1.46 0.42 114.58 118.46 1qjm h GLU 337 Ca 0.12 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1qjm h GLU 337 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1qjm h GLU 337 CO -0.70 -0.07 0.00 0.28 -1.00 0.00 0.00 179.01 177.52 1qjm n VAL 338 N -5.41 0.00 -0.34 3.13 0.31 0.22 -0.68 118.33 115.56 1qjm n VAL 338 Ca 0.05 1.34 0.25 0.00 -0.01 0.00 0.00 64.34 65.97 1qjm n VAL 338 Cb 0.36 -2.15 0.53 0.00 -0.91 0.00 0.00 33.84 31.67 1qjm n VAL 338 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qjm h ALA 339 N -1.74 2.31 0.01 3.52 0.00 0.25 0.82 119.26 124.43 1qjm h ALA 339 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qjm h ALA 339 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qjm h ALA 339 CO 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 179.25 178.45 1qjm h ALA 340 N 1.62 -0.60 -0.91 0.00 0.00 0.61 -0.65 119.26 119.33 1qjm h ALA 340 Ca 0.63 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.78 1qjm h ALA 340 Cb 1.69 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 19.81 1qjm h ALA 340 CO -0.32 -0.61 0.37 -0.09 0.00 0.00 0.00 179.25 178.60 1qjm h ARG 341 N -0.06 0.31 -0.85 0.00 9.65 0.14 0.19 114.38 123.77 1qjm h ARG 341 Ca -0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 1qjm h ARG 341 Cb 0.06 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 1qjm h ARG 341 CO -0.02 0.20 0.41 -0.09 2.80 0.00 0.00 179.97 183.28 1qjm h ARG 342 N 0.32 1.21 0.00 0.20 2.43 -0.20 -3.14 114.38 115.21 1qjm h ARG 342 Ca 0.59 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1qjm h ARG 342 Cb 1.20 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1qjm h ARG 342 CO -0.59 0.93 0.00 0.93 -1.51 0.00 0.00 179.97 179.73 1qjm h GLU 343 N 1.20 0.00 0.00 0.20 5.08 0.47 -3.46 114.58 118.07 1qjm h GLU 343 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1qjm h GLU 343 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1qjm h GLU 343 CO -0.04 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.86 1qjm n ARG 344 N -2.93 1.18 -3.69 2.33 1.85 -1.07 -5.06 116.66 109.27 1qjm n ARG 344 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.79 1qjm n ARG 344 Cb 0.48 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.79 1qjm n ARG 344 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1qjm s VAL 345 N 0.70 -0.13 -0.23 8.89 1.01 -1.18 -4.99 120.40 124.47 1qjm s VAL 345 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1qjm s VAL 345 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1qjm s VAL 345 CO 0.00 0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.54 1qjm s VAL 346 N 1.60 4.60 0.09 2.92 1.01 -1.26 -1.36 120.40 128.00 1qjm s VAL 346 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1qjm s VAL 346 Cb -0.09 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1qjm s VAL 346 CO -0.13 0.36 0.29 0.86 0.00 0.00 0.00 175.10 176.48 1qjm s TRP 347 N 1.28 3.50 -0.42 5.22 -0.11 -0.73 -1.85 118.94 125.83 1qjm s TRP 347 Ca 0.05 0.41 -0.10 0.00 1.22 0.00 0.00 56.10 57.68 1qjm s TRP 347 Cb -0.15 -1.88 0.08 0.00 -1.50 0.00 0.00 33.47 30.02 1qjm s TRP 347 CO 0.04 0.52 0.27 0.00 -4.62 0.00 0.00 176.95 173.17 1qjm s ALA 349 N 1.44 3.49 -0.14 0.00 0.00 0.11 -4.77 121.76 121.89 1qjm s ALA 349 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1qjm s ALA 349 Cb -0.23 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 1qjm s ALA 349 CO 0.02 0.12 -0.17 0.08 0.00 0.00 0.00 175.76 175.81 1qjm s VAL 350 N -2.23 2.59 0.13 0.00 1.01 -1.26 -2.04 120.40 118.61 1qjm s VAL 350 Ca 0.48 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1qjm s VAL 350 Cb -0.10 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1qjm s VAL 350 CO 0.31 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.54 1qjm n GLY 351 N 3.85 -3.27 0.19 4.51 0.00 -0.90 -4.39 105.19 105.18 1qjm n GLY 351 Ca -0.19 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 1qjm n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjm h PRO 352 N 0.26 -0.13 -0.95 1.61 0.13 -1.96 -0.79 132.00 130.18 1qjm h PRO 352 Ca 0.00 0.01 0.28 0.00 -0.87 0.00 0.00 66.00 65.42 1qjm h PRO 352 Cb 0.09 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.10 1qjm h PRO 352 CO 0.00 -0.09 0.40 0.93 -0.23 0.00 0.00 178.00 179.02 1qjm h GLU 353 N -0.14 0.26 0.11 0.86 5.08 -1.97 1.01 114.58 119.79 1qjm h GLU 353 Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1qjm h GLU 353 Cb 0.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1qjm h GLU 353 CO -0.28 0.17 -0.05 0.93 -1.00 0.00 0.00 179.01 178.78 1qjm h GLU 354 N 0.27 -0.14 -1.00 2.33 5.08 -1.39 -1.26 114.58 118.46 1qjm h GLU 354 Ca 0.65 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 59.21 1qjm h GLU 354 Cb 1.40 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.58 1qjm h GLU 354 CO -0.63 0.13 0.61 1.49 -1.00 0.00 0.00 179.01 179.61 1qjm h GLU 355 N -0.41 0.72 0.33 2.33 4.81 0.20 1.85 114.58 124.40 1qjm h GLU 355 Ca -0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1qjm h GLU 355 Cb 0.34 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1qjm h GLU 355 CO 0.02 0.48 -0.46 0.00 -0.73 0.00 0.00 179.01 178.32 1qjm h ARG 356 N 0.74 -0.80 -0.71 1.92 3.08 -0.62 1.31 114.38 119.31 1qjm h ARG 356 Ca 0.57 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.83 1qjm h ARG 356 Cb 0.92 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 31.04 1qjm h ARG 356 CO -0.37 -0.53 0.12 -0.22 -1.07 0.00 0.00 179.97 177.90 1qjm h LYS 357 N -0.83 0.21 -0.04 0.04 3.64 0.35 1.01 116.57 120.95 1qjm h LYS 357 Ca -0.04 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1qjm h LYS 357 Cb 0.75 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1qjm h LYS 357 CO -0.13 0.14 -0.25 0.00 -2.27 0.00 0.00 179.45 176.94 1qjm h LYS 359 N 0.06 0.25 -0.01 0.00 1.79 0.95 -1.53 116.57 118.07 1qjm h LYS 359 Ca 0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1qjm h LYS 359 Cb 0.48 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1qjm h LYS 359 CO 0.03 0.31 -0.06 1.96 -1.08 0.00 0.00 179.45 180.62 1qjm h GLN 360 N 0.13 -0.06 -1.51 3.15 4.20 0.19 -1.48 115.11 119.72 1qjm h GLN 360 Ca 0.06 0.00 0.50 0.00 0.06 0.00 0.00 58.65 59.27 1qjm h GLN 360 Cb 0.15 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 1qjm h GLN 360 CO -0.01 -0.04 1.00 2.35 -0.67 0.00 0.00 178.83 181.47 1qjm h TRP 361 N -0.06 0.40 0.45 2.96 7.01 -1.19 0.93 115.95 126.44 1qjm h TRP 361 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1qjm h TRP 361 Cb 0.07 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1qjm h TRP 361 CO -0.46 -0.23 -0.21 1.03 -2.79 0.00 0.00 178.44 175.78 1qjm h SER 362 N 0.00 -0.51 -0.17 2.65 0.87 -0.28 -1.83 113.55 114.28 1qjm h SER 362 Ca 0.90 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 61.53 1qjm h SER 362 Cb 3.05 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 65.14 1qjm h SER 362 CO -0.38 -0.28 0.14 0.44 -0.53 0.00 0.00 176.83 176.22 1qjm h ASP 363 N -0.76 0.00 0.62 6.23 3.32 0.15 -0.16 116.42 125.83 1qjm h ASP 363 Ca -0.06 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1qjm h ASP 363 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1qjm h ASP 363 CO 0.10 0.00 -0.50 0.58 -1.72 0.00 0.00 179.24 177.70 1qjm h VAL 364 N 0.00 1.26 -0.02 -1.35 2.07 -0.90 -3.09 116.25 114.22 1qjm h VAL 364 Ca 0.08 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1qjm h VAL 364 Cb 0.36 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1qjm h VAL 364 CO -0.00 0.49 -0.24 -1.54 0.02 0.00 0.00 177.57 176.30 1qjm n SER 365 N -3.79 2.09 -2.69 0.57 3.41 -0.12 -4.96 113.62 108.12 1qjm n SER 365 Ca -0.01 -1.56 -0.15 0.00 -0.26 0.00 0.00 58.87 56.89 1qjm n SER 365 Cb 0.54 0.22 0.06 0.00 -0.26 0.00 0.00 64.21 64.77 1qjm n SER 365 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qjm n ASN 366 N 0.31 -4.09 0.00 4.04 5.15 -0.88 -3.03 115.26 116.76 1qjm n ASN 366 Ca 0.12 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1qjm n ASN 366 Cb 0.47 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 1qjm n ASN 366 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1qjm n ARG 367 N -3.53 -0.52 0.11 1.20 5.12 -1.03 -4.85 116.66 113.17 1qjm n ARG 367 Ca -0.06 0.13 0.10 0.00 -1.93 0.00 0.00 57.85 56.09 1qjm n ARG 367 Cb 0.57 -3.57 0.46 0.00 -1.16 0.00 0.00 32.46 28.76 1qjm n ARG 367 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1qjm n LYS 368 N -1.70 0.14 -4.09 5.56 5.02 -1.17 -4.34 118.16 117.58 1qjm n LYS 368 Ca 0.00 0.47 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1qjm n LYS 368 Cb 0.13 -1.83 -0.12 0.00 -0.02 0.00 0.00 35.03 33.20 1qjm n LYS 368 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qjm s VAL 369 N -3.32 0.56 0.03 -0.18 1.01 -1.26 -3.09 120.40 114.14 1qjm s VAL 369 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1qjm s VAL 369 Cb 0.08 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1qjm s VAL 369 CO 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 175.10 175.11 1qjm n ALA 370 N 1.69 0.04 -2.85 5.51 0.00 -0.46 -4.57 120.51 119.88 1qjm n ALA 370 Ca -0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1qjm n ALA 370 Cb 0.55 0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 1qjm n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qjm s ALA 372 N -1.47 -0.16 0.43 0.00 0.00 0.40 -4.90 121.76 116.07 1qjm s ALA 372 Ca -0.10 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1qjm s ALA 372 Cb -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1qjm s ALA 372 CO 0.00 -0.63 0.10 -1.54 0.00 0.00 0.00 175.76 173.69 1qjm s SER 373 N 2.29 3.13 -0.01 0.00 1.04 -1.26 0.05 113.70 118.95 1qjm s SER 373 Ca 0.03 -1.66 -0.28 0.00 0.48 0.00 0.00 55.95 54.52 1qjm s SER 373 Cb -0.12 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.58 1qjm s SER 373 CO -0.06 -0.90 1.28 0.00 0.98 0.00 0.00 173.24 174.54 1qjm s ALA 374 N -3.12 -2.42 -0.91 5.32 0.00 -0.86 -4.91 121.76 114.85 1qjm s ALA 374 Ca 0.20 0.08 0.27 0.00 0.00 0.00 0.00 51.96 52.51 1qjm s ALA 374 Cb 0.03 0.84 0.95 0.00 0.00 0.00 0.00 23.12 24.93 1qjm s ALA 374 CO 0.12 -1.14 1.76 0.43 0.00 0.00 0.00 175.76 176.93 1qjm n SER 375 N -1.02 0.32 -3.74 0.00 7.64 -1.26 -2.11 113.62 113.45 1qjm n SER 375 Ca 0.02 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 1qjm n SER 375 Cb 0.59 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.29 1qjm n SER 375 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1qjm s THR 376 N -3.04 -0.03 0.27 0.44 -4.23 -1.26 -4.52 115.64 103.27 1qjm s THR 376 Ca 0.12 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1qjm s THR 376 Cb 0.17 -0.39 0.31 0.00 1.34 0.00 0.00 72.50 73.93 1qjm s THR 376 CO 0.59 0.04 1.24 0.41 -0.54 0.00 0.00 174.62 176.37 1qjm n THR 377 N 3.90 -0.33 -0.00 3.99 -1.04 -1.26 0.39 114.28 119.92 1qjm n THR 377 Ca -0.22 1.69 -0.08 0.00 -2.04 0.00 0.00 64.05 63.39 1qjm n THR 377 Cb 0.54 -2.57 -0.05 0.00 -1.82 0.00 0.00 70.33 66.43 1qjm n THR 377 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1qjm h GLU 378 N 0.00 -0.30 -0.82 -2.82 4.39 -1.99 -1.40 114.58 111.62 1qjm h GLU 378 Ca 0.56 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.36 1qjm h GLU 378 Cb 1.32 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.94 1qjm h GLU 378 CO -0.69 -0.20 -0.48 0.39 -1.16 0.00 0.00 179.01 176.87 1qjm n GLU 379 N -4.09 -0.36 0.30 2.33 1.02 1.25 0.21 120.64 121.29 1qjm n GLU 379 Ca -0.03 1.25 0.18 0.00 -0.02 0.00 0.00 57.16 58.53 1qjm n GLU 379 Cb 0.20 -1.83 0.89 0.00 -0.02 0.00 0.00 31.44 30.68 1qjm n GLU 379 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qjm h ILE 381 N 0.00 1.31 0.12 0.00 2.04 0.34 -2.69 117.51 118.63 1qjm h ILE 381 Ca -0.00 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 1qjm h ILE 381 Cb 0.28 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1qjm h ILE 381 CO 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 178.15 178.53 1qjm h ALA 382 N 0.69 -0.16 -0.94 1.87 0.00 -0.09 0.29 119.26 120.91 1qjm h ALA 382 Ca 0.04 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1qjm h ALA 382 Cb 0.78 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.51 1qjm h ALA 382 CO 0.06 -0.59 0.44 -0.07 0.00 0.00 0.00 179.25 179.09 1qjm h LEU 383 N -0.16 0.38 -0.09 0.00 3.38 -1.30 1.25 115.31 118.76 1qjm h LEU 383 Ca -0.01 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1qjm h LEU 383 Cb 0.13 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qjm h LEU 383 CO 0.02 -0.04 0.01 0.58 0.09 0.00 0.00 178.44 179.10 1qjm h VAL 384 N 0.38 1.23 -0.88 1.22 2.07 -1.04 0.36 116.25 119.58 1qjm h VAL 384 Ca 0.61 -0.72 0.20 0.00 0.82 0.00 0.00 66.70 67.62 1qjm h VAL 384 Cb 1.24 1.53 -0.12 0.00 -1.52 0.00 0.00 31.29 32.43 1qjm h VAL 384 CO -0.56 0.20 0.41 -0.07 0.02 0.00 0.00 177.57 177.57 1qjm h LEU 385 N -0.09 0.39 -0.07 2.57 3.38 0.32 0.26 115.31 122.06 1qjm h LEU 385 Ca 0.03 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1qjm h LEU 385 Cb 0.31 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1qjm h LEU 385 CO 0.00 0.06 -0.53 0.11 0.09 0.00 0.00 178.44 178.17 1qjm h LYS 386 N 0.46 0.00 0.00 1.13 1.57 0.12 -3.25 116.57 116.61 1qjm h LYS 386 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1qjm h LYS 386 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1qjm h LYS 386 CO -0.48 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1qjm n GLY 387 N 1.17 0.88 0.10 3.86 0.00 0.12 -4.51 105.19 106.81 1qjm n GLY 387 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1qjm n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qjm h GLU 388 N 1.46 0.00 -5.35 1.61 5.08 -1.65 -3.46 114.58 112.28 1qjm h GLU 388 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 1qjm h GLU 388 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 1qjm h GLU 388 CO 0.00 0.23 -0.81 0.00 -1.00 0.00 0.00 179.01 177.43 1qjm s ALA 389 N -3.02 1.20 -0.23 3.43 0.00 -0.93 -4.88 121.76 117.33 1qjm s ALA 389 Ca -0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 1qjm s ALA 389 Cb 0.09 -0.26 -0.17 0.00 0.00 0.00 0.00 23.12 22.78 1qjm s ALA 389 CO 0.80 0.27 0.00 -0.25 0.00 0.00 0.00 175.76 176.59 1qjm n ASP 390 N 2.38 1.94 -3.74 0.00 8.00 -0.77 -3.52 116.55 120.83 1qjm n ASP 390 Ca -0.16 0.32 -0.05 0.00 0.71 0.00 0.00 54.79 55.62 1qjm n ASP 390 Cb 0.55 -0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1qjm n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qjm s ALA 391 N -2.45 -1.60 0.10 2.24 0.00 -0.94 -4.31 121.76 114.79 1qjm s ALA 391 Ca -0.32 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 1qjm s ALA 391 Cb 0.09 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.95 1qjm s ALA 391 CO 0.58 -1.00 0.95 -0.48 0.00 0.00 0.00 175.76 175.80 1qjm s LEU 392 N -2.89 -0.23 0.18 0.00 0.05 -1.18 -0.38 118.68 114.23 1qjm s LEU 392 Ca 0.11 -0.27 -0.30 0.00 0.05 0.00 0.00 54.13 53.72 1qjm s LEU 392 Cb -0.02 2.09 -0.07 0.00 -2.05 0.00 0.00 46.19 46.14 1qjm s LEU 392 CO 0.02 -0.80 0.96 0.21 -0.55 0.00 0.00 176.35 176.19 1qjm s ASN 393 N -2.80 7.56 0.14 1.48 3.84 -1.26 -2.08 114.94 121.82 1qjm s ASN 393 Ca 0.10 1.89 0.05 0.00 0.21 0.00 0.00 52.86 55.11 1qjm s ASN 393 Cb -0.01 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 1qjm s ASN 393 CO -0.02 0.04 -0.11 -0.76 -2.79 0.00 0.00 177.10 173.46 1qjm s LEU 394 N -0.62 2.49 0.09 3.21 1.43 -1.10 -4.96 118.68 119.23 1qjm s LEU 394 Ca 0.44 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1qjm s LEU 394 Cb -0.25 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1qjm s LEU 394 CO 0.31 -0.26 0.09 -0.62 0.23 0.00 0.00 176.35 176.10 1qjm s ASP 395 N -2.96 5.57 0.36 2.29 2.15 -1.26 -1.52 116.67 121.31 1qjm s ASP 395 Ca 0.14 -0.01 0.27 0.00 0.43 0.00 0.00 52.55 53.38 1qjm s ASP 395 Cb -0.00 -1.50 1.21 0.00 -0.30 0.00 0.00 42.92 42.33 1qjm s ASP 395 CO 0.02 0.16 1.26 0.61 -0.17 0.00 0.00 175.17 177.05 1qjm n GLY 396 N 0.33 -0.68 0.31 2.66 0.00 -1.26 0.15 105.19 106.70 1qjm n GLY 396 Ca -0.08 0.61 0.01 0.00 0.00 0.00 0.00 46.02 46.56 1qjm n GLY 396 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qjm h GLY 397 N 0.00 0.74 0.61 -0.02 0.00 -1.91 -0.53 103.07 101.95 1qjm h GLY 397 Ca 0.71 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 1qjm h GLY 397 CO -0.36 0.31 -1.49 0.69 0.00 0.00 0.00 176.54 175.69 1qjm n PHE 398 N -4.39 0.60 -0.02 5.60 3.01 0.40 -4.06 117.46 118.60 1qjm n PHE 398 Ca 0.04 0.18 -0.09 0.00 1.01 0.00 0.00 57.45 58.59 1qjm n PHE 398 Cb 0.11 -0.84 -0.03 0.00 -0.01 0.00 0.00 39.48 38.71 1qjm n PHE 398 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1qjm h ILE 399 N 0.00 0.78 -0.77 4.37 2.04 -0.42 0.31 117.51 123.82 1qjm h ILE 399 Ca -0.06 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.94 1qjm h ILE 399 Cb 1.18 0.78 -0.10 0.00 -0.74 0.00 0.00 36.82 37.95 1qjm h ILE 399 CO 0.01 0.00 0.32 0.22 0.00 0.00 0.00 178.15 178.70 1qjm h TYR 400 N -0.05 0.56 0.05 1.37 5.03 -1.25 0.27 116.97 122.94 1qjm h TYR 400 Ca 0.08 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1qjm h TYR 400 Cb 0.17 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.32 1qjm h TYR 400 CO -0.21 0.08 -0.02 0.28 -1.32 0.00 0.00 178.16 176.97 1qjm h VAL 401 N 0.47 1.30 -0.93 1.81 2.07 -1.24 -0.85 116.25 118.88 1qjm h VAL 401 Ca 0.42 -1.61 0.21 0.00 0.82 0.00 0.00 66.70 66.54 1qjm h VAL 401 Cb 0.64 2.30 -0.17 0.00 -1.52 0.00 0.00 31.29 32.53 1qjm h VAL 401 CO -0.40 0.38 -0.13 0.00 0.02 0.00 0.00 177.57 177.44 1qjm h ALA 402 N -0.03 0.80 -0.61 1.67 0.00 0.35 2.42 119.26 123.86 1qjm h ALA 402 Ca -0.01 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1qjm h ALA 402 Cb 0.67 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1qjm h ALA 402 CO 0.01 -0.45 0.40 0.78 0.00 0.00 0.00 179.25 180.00 1qjm h GLY 403 N 0.01 0.86 1.19 0.00 0.00 -0.53 0.20 103.07 104.81 1qjm h GLY 403 Ca 0.49 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1qjm h GLY 403 CO -0.92 0.32 0.47 0.50 0.00 0.00 0.00 176.54 176.91 1qjm h LYS 404 N 0.83 0.85 -0.46 4.80 1.79 0.53 0.15 116.57 125.06 1qjm h LYS 404 Ca 0.22 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1qjm h LYS 404 Cb -0.09 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.37 1qjm h LYS 404 CO -0.05 0.56 0.00 0.00 -1.08 0.00 0.00 179.45 178.88 1qjm n GLY 406 N 0.29 0.70 3.89 0.00 0.00 0.51 -5.03 105.19 105.54 1qjm n GLY 406 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1qjm n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qjm s LEU 407 N 0.00 3.61 0.08 0.99 1.43 -0.71 -4.63 118.68 119.44 1qjm s LEU 407 Ca 0.00 1.06 0.08 0.00 -1.03 0.00 0.00 54.13 54.24 1qjm s LEU 407 Cb 0.00 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 1qjm s LEU 407 CO 0.00 -0.58 -0.21 0.68 0.23 0.00 0.00 176.35 176.47 1qjm s VAL 408 N -2.73 1.68 -0.01 -1.59 -7.23 -0.75 -4.14 120.40 105.64 1qjm s VAL 408 Ca 0.50 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 1qjm s VAL 408 Cb -0.10 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1qjm s VAL 408 CO 0.43 0.06 1.16 -2.16 -0.31 0.00 0.00 175.10 174.28 1qjm s PRO 409 N -1.57 4.41 0.00 4.82 0.04 -1.26 -2.85 135.00 138.58 1qjm s PRO 409 Ca 0.07 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1qjm s PRO 409 Cb -0.09 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1qjm s PRO 409 CO 0.03 -0.32 0.00 0.28 0.04 0.00 0.00 177.00 177.03 1qjm n VAL 410 N 4.26 0.00 -3.87 -0.36 0.31 -0.83 -4.91 118.33 112.93 1qjm n VAL 410 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.11 1qjm n VAL 410 Cb 0.47 -0.37 -0.04 0.00 -0.91 0.00 0.00 33.84 32.98 1qjm n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qjm s LEU 411 N -0.34 4.34 0.03 7.52 1.43 -1.26 -4.42 118.68 125.98 1qjm s LEU 411 Ca 0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1qjm s LEU 411 Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1qjm s LEU 411 CO 0.00 0.16 0.20 0.00 0.23 0.00 0.00 176.35 176.94 1qjm s ALA 412 N -1.51 3.98 -0.20 4.21 0.00 0.13 -1.49 121.76 126.89 1qjm s ALA 412 Ca 0.35 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 1qjm s ALA 412 Cb -0.13 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1qjm s ALA 412 CO 0.26 0.79 0.87 -2.00 0.00 0.00 0.00 175.76 175.68 1qjm s GLU 413 N -2.28 4.26 -0.28 0.00 2.12 -1.14 0.19 118.70 121.57 1qjm s GLU 413 Ca 0.32 1.07 0.01 0.00 0.36 0.00 0.00 54.97 56.72 1qjm s GLU 413 Cb -0.13 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.71 1qjm s GLU 413 CO 0.24 -0.43 -0.05 1.21 -0.54 0.00 0.00 175.26 175.69 1qjm s ASN 414 N 1.22 4.67 0.89 -1.70 2.47 0.14 -4.66 114.94 117.97 1qjm s ASN 414 Ca 0.39 -1.35 -0.11 0.00 0.42 0.00 0.00 52.86 52.20 1qjm s ASN 414 Cb -0.16 -1.63 0.13 0.00 -1.45 0.00 0.00 41.25 38.13 1qjm s ASN 414 CO 0.10 -0.23 1.13 0.00 -3.72 0.00 0.00 177.10 174.38 1qjm n GLN 415 N 4.52 -0.28 -1.07 0.43 0.00 -1.26 -0.67 117.38 119.05 1qjm n GLN 415 Ca -0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 57.00 56.43 1qjm n GLN 415 Cb 0.43 -2.37 -0.06 0.00 0.00 0.00 0.00 30.24 28.24 1qjm n GLN 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1qjm n LYS 416 N -3.88 1.40 -0.04 2.61 5.02 -1.19 -4.49 118.16 117.58 1qjm n LYS 416 Ca 0.12 -1.75 -0.05 0.00 -2.02 0.00 0.00 58.31 54.61 1qjm n LYS 416 Cb 0.52 -2.85 0.05 0.00 -0.02 0.00 0.00 35.03 32.72 1qjm n LYS 416 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qjm n SER 417 N 7.41 -2.38 -3.74 4.39 7.64 -1.26 -4.99 113.62 120.69 1qjm n SER 417 Ca 0.49 -0.15 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 1qjm n SER 417 Cb 0.39 -0.17 -0.17 0.00 -1.01 0.00 0.00 64.21 63.25 1qjm n SER 417 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1qjm s GLN 418 N -3.35 0.52 0.00 1.43 1.11 -1.26 -4.77 119.66 113.34 1qjm s GLN 418 Ca 0.11 -0.01 0.00 0.00 0.01 0.00 0.00 55.36 55.47 1qjm s GLN 418 Cb -0.02 -1.28 0.00 0.00 -1.01 0.00 0.00 33.01 30.70 1qjm s GLN 418 CO 0.10 -0.41 0.00 0.09 0.01 0.00 0.00 175.29 175.07 1qjm n ASN 419 N 5.15 0.00 -3.31 5.90 3.02 -1.26 -5.07 115.26 119.70 1qjm n ASN 419 Ca -0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1qjm n ASN 419 Cb 0.49 0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 1qjm n ASN 419 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qjm s SER 420 N 0.79 0.37 -0.08 6.41 1.04 -1.26 -5.06 113.70 115.91 1qjm s SER 420 Ca 0.00 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.76 1qjm s SER 420 Cb 0.00 1.08 -0.21 0.00 0.10 0.00 0.00 66.02 66.99 1qjm s SER 420 CO 0.00 -0.32 3.00 0.59 0.98 0.00 0.00 173.24 177.48 1qjm n ASN 421 N 5.10 4.39 -2.18 7.02 3.02 -1.26 -4.61 115.26 126.74 1qjm n ASN 421 Ca 0.03 -2.30 -0.02 0.00 -0.03 0.00 0.00 54.58 52.26 1qjm n ASN 421 Cb 0.49 -1.16 0.01 0.00 -0.61 0.00 0.00 39.78 38.52 1qjm n ASN 421 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qjm n ALA 422 N 2.67 -0.04 0.12 5.41 0.00 -1.26 -4.81 120.51 122.60 1qjm n ALA 422 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qjm n ALA 422 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1qjm n ALA 422 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qjm n PRO 423 N -1.18 0.12 -0.20 0.00 -0.04 -1.26 -3.02 135.00 129.41 1qjm n PRO 423 Ca 0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 1qjm n PRO 423 Cb 0.05 -1.11 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1qjm n PRO 423 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1qjm h ASP 424 N 1.01 0.36 -0.72 3.54 5.19 -1.87 -3.04 116.42 120.88 1qjm h ASP 424 Ca 0.00 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 1qjm h ASP 424 Cb 0.07 -0.01 -0.09 0.00 0.18 0.00 0.00 39.33 39.48 1qjm h ASP 424 CO 0.00 0.23 -0.41 0.00 -3.12 0.00 0.00 179.24 175.94 1qjm h VAL 426 N 0.00 0.32 0.00 0.00 2.07 -1.84 0.33 116.25 117.14 1qjm h VAL 426 Ca 0.13 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1qjm h VAL 426 Cb 0.31 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1qjm h VAL 426 CO -0.68 0.04 -1.87 1.41 0.02 0.00 0.00 177.57 176.49 1qjm n HIS 427 N -5.21 0.03 -1.61 1.57 8.25 0.23 -3.22 115.22 115.27 1qjm n HIS 427 Ca 0.22 0.01 -0.51 0.00 -0.26 0.00 0.00 57.72 57.18 1qjm n HIS 427 Cb 0.69 -0.47 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 1qjm n HIS 427 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1qjm n ARG 428 N -2.21 1.36 -2.46 -0.41 0.63 0.76 -4.84 116.66 109.49 1qjm n ARG 428 Ca -0.03 0.49 -0.41 0.00 -0.92 0.00 0.00 57.85 56.98 1qjm n ARG 428 Cb 0.55 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 31.26 1qjm n ARG 428 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qjm s PRO 429 N 0.65 4.53 0.08 -0.14 0.02 -1.26 -4.87 135.00 134.01 1qjm s PRO 429 Ca 0.84 1.77 -0.35 0.00 0.02 0.00 0.00 61.00 63.27 1qjm s PRO 429 Cb -0.90 -3.28 -0.15 0.00 0.02 0.00 0.00 34.50 30.19 1qjm s PRO 429 CO 0.45 -0.04 1.53 -2.30 -0.33 0.00 0.00 177.00 176.31 1qjm n PRO 430 N 2.74 1.70 0.00 5.54 -0.02 -1.26 -4.84 135.00 138.86 1qjm n PRO 430 Ca 0.04 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1qjm n PRO 430 Cb 0.46 -2.34 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1qjm n PRO 430 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1qjm n GLU 431 N 3.50 1.56 0.00 -0.52 0.28 -1.26 -5.03 120.64 119.18 1qjm n GLU 431 Ca 0.19 -1.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 1qjm n GLU 431 Cb 0.24 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 31.79 1qjm n GLU 431 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qjm n GLY 432 N 1.10 -1.96 3.56 -1.84 0.00 -1.26 -5.04 105.19 99.74 1qjm n GLY 432 Ca 0.09 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1qjm n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qjm s TYR 433 N -0.07 -0.70 -0.25 1.61 -0.85 -0.91 -4.88 117.35 111.30 1qjm s TYR 433 Ca 0.00 1.58 -0.18 0.00 -0.52 0.00 0.00 57.07 57.95 1qjm s TYR 433 Cb 0.00 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 1qjm s TYR 433 CO 0.00 -0.43 0.51 -0.51 -1.52 0.00 0.00 175.55 173.60 1qjm s LEU 434 N -0.13 4.07 -0.07 -3.49 1.43 -1.26 0.51 118.68 119.74 1qjm s LEU 434 Ca -0.04 0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 53.35 1qjm s LEU 434 Cb -0.03 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1qjm s LEU 434 CO 0.04 -0.26 0.77 0.00 0.23 0.00 0.00 176.35 177.12 1qjm s ALA 435 N 2.18 3.33 0.32 4.21 0.00 -1.14 -2.30 121.76 128.37 1qjm s ALA 435 Ca 0.21 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1qjm s ALA 435 Cb -0.16 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1qjm s ALA 435 CO 0.09 -0.19 -0.12 0.14 0.00 0.00 0.00 175.76 175.68 1qjm s VAL 436 N 1.01 2.25 -0.35 0.00 -7.23 0.22 -1.56 120.40 114.74 1qjm s VAL 436 Ca 0.40 -2.25 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 1qjm s VAL 436 Cb -0.18 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1qjm s VAL 436 CO 0.19 -0.27 0.18 0.00 -0.31 0.00 0.00 175.10 174.89 1qjm s ALA 437 N -2.62 3.24 -0.08 1.32 0.00 -1.26 -2.93 121.76 119.44 1qjm s ALA 437 Ca 0.31 -1.62 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1qjm s ALA 437 Cb 0.01 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1qjm s ALA 437 CO 0.16 -1.23 -0.05 0.08 0.00 0.00 0.00 175.76 174.72 1qjm s VAL 438 N 1.55 3.84 0.30 0.00 1.01 0.67 -0.98 120.40 126.79 1qjm s VAL 438 Ca 0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1qjm s VAL 438 Cb -0.19 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1qjm s VAL 438 CO 0.06 0.59 0.57 0.68 0.00 0.00 0.00 175.10 177.00 1qjm s VAL 439 N -0.66 0.00 -0.42 2.92 -7.23 -1.08 0.10 120.40 114.03 1qjm s VAL 439 Ca 0.10 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 1qjm s VAL 439 Cb -0.12 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1qjm s VAL 439 CO 0.02 0.00 1.20 -0.13 -0.31 0.00 0.00 175.10 175.88 1qjm s ARG 440 N -3.49 3.76 0.29 4.82 0.52 -1.26 -2.02 118.95 121.58 1qjm s ARG 440 Ca 0.21 0.78 0.06 0.00 -0.52 0.00 0.00 55.73 56.26 1qjm s ARG 440 Cb -0.02 -3.90 0.81 0.00 0.52 0.00 0.00 34.95 32.35 1qjm s ARG 440 CO 0.11 -1.33 1.38 1.17 0.02 0.00 0.00 175.30 176.66 1qjm n LYS 441 N 7.70 -0.07 -0.19 3.54 3.00 -0.96 0.40 118.16 131.58 1qjm n LYS 441 Ca 0.13 1.29 -0.05 0.00 -0.00 0.00 0.00 58.31 59.69 1qjm n LYS 441 Cb 0.48 -2.12 -0.05 0.00 0.00 0.00 0.00 35.03 33.35 1qjm n LYS 441 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1qjm n SER 442 N -5.21 -0.48 -4.56 3.14 2.88 -1.26 -1.80 113.62 106.33 1qjm n SER 442 Ca 0.24 0.94 -0.41 0.00 -1.33 0.00 0.00 58.87 58.31 1qjm n SER 442 Cb 0.80 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1qjm n SER 442 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1qjm s ASP 443 N -4.78 6.50 -0.12 -3.46 1.11 1.31 -4.80 116.67 112.43 1qjm s ASP 443 Ca -0.05 -1.50 0.18 0.00 0.18 0.00 0.00 52.55 51.36 1qjm s ASP 443 Cb 0.05 -2.57 -0.27 0.00 1.07 0.00 0.00 42.92 41.20 1qjm s ASP 443 CO 0.28 -1.50 0.22 0.00 1.18 0.00 0.00 175.17 175.35 1qjm n ALA 444 N 8.91 2.02 -0.34 5.23 0.00 -0.74 -4.19 120.51 131.41 1qjm n ALA 444 Ca 0.34 -0.94 0.28 0.00 0.00 0.00 0.00 53.44 53.12 1qjm n ALA 444 Cb 0.51 -0.37 0.60 0.00 0.00 0.00 0.00 19.45 20.18 1qjm n ALA 444 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1qjm h ASP 445 N 0.00 0.29 -3.96 0.00 5.19 -1.89 -3.41 116.42 112.65 1qjm h ASP 445 Ca -0.31 0.07 -0.54 0.00 -0.62 0.00 0.00 57.03 55.63 1qjm h ASP 445 Cb 1.67 0.02 0.11 0.00 0.18 0.00 0.00 39.33 41.31 1qjm h ASP 445 CO 0.02 0.03 0.76 -0.22 -3.12 0.00 0.00 179.24 176.70 1qjm s LEU 446 N -9.25 4.27 0.00 1.55 2.96 -1.26 -4.95 118.68 112.00 1qjm s LEU 446 Ca -0.08 3.02 0.01 0.00 -0.22 0.00 0.00 54.13 56.86 1qjm s LEU 446 Cb 0.25 -3.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.20 1qjm s LEU 446 CO 0.80 -0.95 0.12 1.07 -1.32 0.00 0.00 176.35 176.08 1qjm n THR 447 N 0.29 0.00 0.08 3.68 5.66 -1.26 -5.00 114.28 117.73 1qjm n THR 447 Ca 0.02 -0.73 -0.10 0.00 -3.05 0.00 0.00 64.05 60.18 1qjm n THR 447 Cb 0.40 0.39 -0.12 0.00 -1.55 0.00 0.00 70.33 69.45 1qjm n THR 447 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 1qjm h TRP 448 N 1.35 0.18 0.00 1.09 2.91 -1.91 -3.14 115.95 116.45 1qjm h TRP 448 Ca -0.08 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.80 1qjm h TRP 448 Cb 0.40 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.04 1qjm h TRP 448 CO 0.00 1.10 0.00 0.09 -1.03 0.00 0.00 178.44 178.60 1qjm n ASN 449 N -3.43 0.00 0.01 2.65 4.13 -1.26 -3.54 115.26 113.82 1qjm n ASN 449 Ca -0.03 0.03 0.11 0.00 1.68 0.00 0.00 54.58 56.36 1qjm n ASN 449 Cb 0.96 -0.33 -0.08 0.00 -1.54 0.00 0.00 39.78 38.79 1qjm n ASN 449 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1qjm n SER 450 N -1.33 0.57 0.00 6.41 3.41 -1.18 -4.56 113.62 116.93 1qjm n SER 450 Ca 0.12 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1qjm n SER 450 Cb 0.24 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 1qjm n SER 450 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qjm n LEU 451 N -1.90 0.00 -4.58 1.04 4.77 -1.23 -4.69 117.00 110.41 1qjm n LEU 451 Ca 0.01 0.23 -0.50 0.00 -0.03 0.00 0.00 56.01 55.72 1qjm n LEU 451 Cb 0.44 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1qjm n LEU 451 CO 0.43 -0.23 1.65 -0.24 -1.33 0.00 0.00 177.39 177.67 1qjm n SER 452 N -1.17 2.77 0.00 -1.43 2.88 -1.26 -2.10 113.62 113.30 1qjm n SER 452 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1qjm n SER 452 Cb 0.11 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 1qjm n SER 452 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qjm n GLY 453 N 5.45 0.24 1.02 0.46 0.00 0.50 -4.88 105.19 107.99 1qjm n GLY 453 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 1qjm n GLY 453 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qjm n LYS 454 N -0.91 -0.16 -3.11 1.61 4.76 -0.89 -0.42 118.16 119.04 1qjm n LYS 454 Ca 0.00 -0.59 -0.39 0.00 -2.87 0.00 0.00 58.31 54.46 1qjm n LYS 454 Cb 0.26 -0.32 -0.05 0.00 -1.84 0.00 0.00 35.03 33.08 1qjm n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1qjm s LYS 455 N -3.61 4.41 -0.02 1.97 1.02 -1.26 0.15 119.74 122.40 1qjm s LYS 455 Ca 0.19 0.79 0.02 0.00 0.02 0.00 0.00 55.97 56.99 1qjm s LYS 455 Cb -0.01 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1qjm s LYS 455 CO 0.13 0.11 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.05 1qjm s SER 456 N 0.67 1.09 -0.27 2.83 1.04 -1.16 -1.38 113.70 116.52 1qjm s SER 456 Ca 0.35 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 1qjm s SER 456 Cb -0.17 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.68 1qjm s SER 456 CO 0.17 0.06 0.01 0.00 0.98 0.00 0.00 173.24 174.45 1qjm s HIS 458 N 1.43 2.81 0.55 0.00 3.76 0.53 -2.26 115.29 122.10 1qjm s HIS 458 Ca 0.02 -0.64 0.23 0.00 -0.15 0.00 0.00 55.06 54.52 1qjm s HIS 458 Cb -0.17 -1.84 1.46 0.00 1.11 0.00 0.00 32.58 33.15 1qjm s HIS 458 CO -0.01 -0.21 2.12 1.79 -0.85 0.00 0.00 174.74 177.58 1qjm h THR 459 N 5.39 0.75 0.00 1.30 1.35 -1.78 -3.33 112.91 116.60 1qjm h THR 459 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1qjm h THR 459 Cb 1.21 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1qjm h THR 459 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1qjm n GLY 460 N -1.50 1.80 3.95 5.82 0.00 -1.26 0.93 105.19 114.92 1qjm n GLY 460 Ca 0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1qjm n GLY 460 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qjm s VAL 461 N -2.00 2.00 -0.92 1.61 -7.23 -1.24 -3.71 120.40 108.91 1qjm s VAL 461 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 1qjm s VAL 461 Cb 0.00 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1qjm s VAL 461 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1qjm n GLY 462 N -3.74 0.83 3.43 2.32 0.00 -1.26 -4.88 105.19 101.90 1qjm n GLY 462 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1qjm n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjm s ARG 463 N -2.49 1.56 0.00 1.61 0.52 -1.26 -3.99 118.95 114.91 1qjm s ARG 463 Ca 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1qjm s ARG 463 Cb 0.00 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1qjm s ARG 463 CO 0.00 0.42 0.21 2.41 0.02 0.00 0.00 175.30 178.36 1qjm n THR 464 N 0.43 0.00 -0.04 0.02 -1.04 -1.26 0.43 114.28 112.82 1qjm n THR 464 Ca -0.14 0.47 -0.01 0.00 -2.04 0.00 0.00 64.05 62.33 1qjm n THR 464 Cb 0.55 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 68.07 1qjm n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qjm n ALA 465 N -0.90 -0.05 -1.00 2.41 0.00 -1.26 -2.29 120.51 117.42 1qjm n ALA 465 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1qjm n ALA 465 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1qjm n ALA 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qjm n ALA 466 N -2.71 0.00 0.00 0.00 0.00 -1.26 -4.59 120.51 111.95 1qjm n ALA 466 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qjm n ALA 466 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1qjm n ALA 466 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1qjm n TRP 467 N 0.00 0.00 -0.09 0.00 -0.00 -1.15 -3.01 117.44 113.19 1qjm n TRP 467 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 1qjm n TRP 467 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 1qjm n TRP 467 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1qjm n ASN 468 N 0.00 -0.23 0.34 5.87 4.13 0.17 -1.60 115.26 123.94 1qjm n ASN 468 Ca 0.00 0.42 -0.14 0.00 1.68 0.00 0.00 54.58 56.54 1qjm n ASN 468 Cb 0.00 -0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.11 1qjm n ASN 468 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1qjm h ILE 469 N 0.00 0.00 0.13 2.41 1.08 -1.36 -0.35 117.51 119.42 1qjm h ILE 469 Ca 0.04 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1qjm h ILE 469 Cb 0.09 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 1qjm h ILE 469 CO -0.21 0.00 -0.23 1.55 -0.69 0.00 0.00 178.15 178.57 1qjm h PRO 470 N -1.04 -0.37 -0.99 2.37 0.13 -1.42 0.11 132.00 130.79 1qjm h PRO 470 Ca -0.09 0.03 0.22 0.00 -0.87 0.00 0.00 66.00 65.29 1qjm h PRO 470 Cb 0.68 0.08 -0.12 0.00 0.13 0.00 0.00 31.00 31.77 1qjm h PRO 470 CO 0.15 -0.25 0.58 0.52 -0.23 0.00 0.00 178.00 178.77 1qjm h MET 471 N -0.38 0.60 -0.37 0.86 2.86 -1.40 1.27 114.93 118.37 1qjm h MET 471 Ca -0.01 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1qjm h MET 471 Cb 0.36 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 1qjm h MET 471 CO -0.08 0.40 0.04 0.78 1.06 0.00 0.00 176.91 179.10 1qjm h GLY 472 N 0.62 0.40 0.73 8.32 0.00 -0.20 1.00 103.07 113.94 1qjm h GLY 472 Ca 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 1qjm h GLY 472 CO -0.45 -0.06 -0.32 1.41 0.00 0.00 0.00 176.54 177.13 1qjm h LEU 473 N 0.15 -0.83 -1.58 3.11 3.38 0.39 -0.67 115.31 119.26 1qjm h LEU 473 Ca 0.18 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.34 1qjm h LEU 473 Cb 0.23 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1qjm h LEU 473 CO -0.27 -0.47 0.47 -0.07 0.09 0.00 0.00 178.44 178.20 1qjm h LEU 474 N -0.71 0.41 -1.18 1.67 3.38 0.40 0.75 115.31 120.04 1qjm h LEU 474 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qjm h LEU 474 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1qjm h LEU 474 CO -0.02 0.23 0.06 0.15 0.09 0.00 0.00 178.44 178.95 1qjm h PHE 475 N 0.44 0.65 0.00 1.13 3.57 0.20 0.37 116.94 123.30 1qjm h PHE 475 Ca 0.34 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1qjm h PHE 475 Cb 0.70 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1qjm h PHE 475 CO -0.00 0.59 -0.33 -0.97 -2.23 0.00 0.00 178.31 175.36 1qjm h ASN 476 N 0.61 0.00 0.05 0.41 -1.24 0.20 -3.17 115.58 112.44 1qjm h ASN 476 Ca 0.13 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.98 1qjm h ASN 476 Cb 0.30 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1qjm h ASN 476 CO 0.00 0.33 -2.12 0.00 -1.29 0.00 0.00 177.43 174.36 1qjm n GLN 477 N -4.10 0.67 0.04 6.67 3.00 -0.29 -4.61 117.38 118.75 1qjm n GLN 477 Ca -0.02 -0.10 0.02 0.00 -0.01 0.00 0.00 57.00 56.90 1qjm n GLN 477 Cb 0.38 -1.54 -0.07 0.00 0.00 0.00 0.00 30.24 29.00 1qjm n GLN 477 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1qjm n THR 478 N -2.50 1.02 -0.94 5.09 -2.24 0.11 -4.94 114.28 109.89 1qjm n THR 478 Ca -0.16 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1qjm n THR 478 Cb 0.83 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1qjm n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qjm n GLY 479 N 1.36 0.22 3.12 3.38 0.00 -1.20 -4.98 105.19 107.10 1qjm n GLY 479 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1qjm n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qjm s SER 480 N -2.07 1.51 0.00 1.61 0.15 -1.26 -5.07 113.70 108.56 1qjm s SER 480 Ca 0.00 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.48 1qjm s SER 480 Cb 0.00 -0.10 0.87 0.00 -1.71 0.00 0.00 66.02 65.08 1qjm s SER 480 CO 0.00 0.03 1.63 0.00 1.20 0.00 0.00 173.24 176.10 1qjm n LYS 482 N 0.29 2.47 -0.33 0.00 5.02 -1.26 -4.79 118.16 119.56 1qjm n LYS 482 Ca 0.17 -2.38 0.24 0.00 -2.02 0.00 0.00 58.31 54.33 1qjm n LYS 482 Cb 0.35 -3.17 0.48 0.00 -0.02 0.00 0.00 35.03 32.66 1qjm n LYS 482 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1qjm h PHE 483 N 6.53 0.89 0.00 2.13 0.04 -2.03 1.09 116.94 125.59 1qjm h PHE 483 Ca 0.53 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.34 1qjm h PHE 483 Cb 0.64 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1qjm h PHE 483 CO 1.41 -0.21 0.00 0.38 -0.60 0.00 0.00 178.31 179.29 1qjm h ASP 484 N 0.29 0.00 1.46 2.17 2.03 -1.93 -3.27 116.42 117.17 1qjm h ASP 484 Ca 0.74 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.93 1qjm h ASP 484 Cb 1.70 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.18 1qjm h ASP 484 CO -0.63 0.00 -0.55 0.11 -1.03 0.00 0.00 179.24 177.15 1qjm h LYS 485 N 0.00 0.00 0.37 4.15 1.57 0.86 -3.39 116.57 120.12 1qjm h LYS 485 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1qjm h LYS 485 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1qjm h LYS 485 CO 0.00 0.50 -0.18 0.35 -0.57 0.00 0.00 179.45 179.55 1qjm h PHE 486 N 0.00 -0.46 -3.66 -1.35 3.57 -1.60 -3.42 116.94 110.01 1qjm h PHE 486 Ca -0.01 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 60.97 1qjm h PHE 486 Cb 1.40 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 1qjm h PHE 486 CO 0.00 -0.29 0.21 -0.06 -2.23 0.00 0.00 178.31 175.95 1qjm s PHE 487 N -4.09 3.76 0.17 0.41 0.08 -1.26 0.19 117.98 117.23 1qjm s PHE 487 Ca -0.07 1.61 -0.26 0.00 0.12 0.00 0.00 56.93 58.32 1qjm s PHE 487 Cb 0.01 -2.77 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 1qjm s PHE 487 CO 0.22 0.36 1.57 0.66 -0.10 0.00 0.00 175.22 177.92 1qjm h SER 488 N 3.65 -1.54 -5.29 1.36 4.64 0.25 -3.45 113.55 113.18 1qjm h SER 488 Ca -0.47 0.25 -0.25 0.00 -0.47 0.00 0.00 61.79 60.85 1qjm h SER 488 Cb 1.20 0.69 -0.15 0.00 -0.31 0.00 0.00 62.40 63.83 1qjm h SER 488 CO 0.66 -0.34 -0.63 -1.10 -0.87 0.00 0.00 176.83 174.55 1qjm s GLN 489 N -5.82 1.17 0.22 4.77 -0.21 -1.23 -4.95 119.66 113.60 1qjm s GLN 489 Ca -0.14 -1.60 -0.19 0.00 0.02 0.00 0.00 55.36 53.44 1qjm s GLN 489 Cb 0.13 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.31 1qjm s GLN 489 CO 0.66 -0.33 0.59 -1.12 -2.12 0.00 0.00 175.29 172.97 1qjm s SER 490 N -3.16 -0.31 -0.18 5.90 0.01 0.25 -2.99 113.70 113.22 1qjm s SER 490 Ca 0.35 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 1qjm s SER 490 Cb 0.07 0.62 0.05 0.00 0.21 0.00 0.00 66.02 66.97 1qjm s SER 490 CO 0.09 -1.12 -0.03 0.00 0.41 0.00 0.00 173.24 172.59 1qjm s ALA 492 N 1.65 -2.72 1.06 0.00 0.00 -0.40 0.20 121.76 121.55 1qjm s ALA 492 Ca -0.01 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 1qjm s ALA 492 Cb -0.16 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1qjm s ALA 492 CO -0.07 -2.30 -0.42 -2.30 0.00 0.00 0.00 175.76 170.66 1qjm n PRO 493 N 3.27 -0.95 -0.83 0.00 -0.02 -1.26 -2.48 135.00 132.72 1qjm n PRO 493 Ca 0.14 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1qjm n PRO 493 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1qjm n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjm n GLY 494 N 2.45 0.41 3.97 -1.23 0.00 0.32 -3.59 105.19 107.53 1qjm n GLY 494 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1qjm n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjm s ALA 495 N -2.16 3.50 -0.10 4.61 0.00 -1.04 -4.89 121.76 121.69 1qjm s ALA 495 Ca 0.00 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.18 1qjm s ALA 495 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1qjm s ALA 495 CO 0.00 -1.42 1.56 0.34 0.00 0.00 0.00 175.76 176.24 1qjm s ASP 496 N -4.67 6.69 0.54 0.00 2.15 -1.26 -4.87 116.67 115.25 1qjm s ASP 496 Ca 0.65 2.02 0.25 0.00 0.43 0.00 0.00 52.55 55.89 1qjm s ASP 496 Cb -0.07 -2.53 1.43 0.00 -0.30 0.00 0.00 42.92 41.45 1qjm s ASP 496 CO 0.44 -0.94 2.02 1.55 -0.17 0.00 0.00 175.17 178.08 1qjm h PRO 497 N 9.41 0.00 -1.11 4.34 0.13 -1.94 -1.57 132.00 141.26 1qjm h PRO 497 Ca -0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 1qjm h PRO 497 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 1qjm h PRO 497 CO 0.96 0.00 0.72 0.00 -0.23 0.00 0.00 178.00 179.45 1qjm n GLN 498 N -4.26 2.38 -4.36 0.86 10.64 -1.26 -4.77 117.38 116.62 1qjm n GLN 498 Ca 0.07 -2.78 -0.19 0.00 -1.83 0.00 0.00 57.00 52.27 1qjm n GLN 498 Cb 0.51 -2.09 -0.10 0.00 -0.86 0.00 0.00 30.24 27.70 1qjm n GLN 498 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1qjm s SER 499 N -1.23 2.48 0.38 2.61 1.04 -0.59 -5.04 113.70 113.35 1qjm s SER 499 Ca 0.55 -1.09 0.08 0.00 0.48 0.00 0.00 55.95 55.97 1qjm s SER 499 Cb 0.43 -0.12 0.77 0.00 0.10 0.00 0.00 66.02 67.21 1qjm s SER 499 CO 0.01 -0.27 1.94 0.77 0.98 0.00 0.00 173.24 176.68 1qjm h SER 500 N 2.49 0.34 -0.05 7.02 4.64 -1.89 -2.07 113.55 124.03 1qjm h SER 500 Ca -0.38 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1qjm h SER 500 Cb 1.22 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1qjm h SER 500 CO 0.64 0.41 0.04 -0.07 -0.87 0.00 0.00 176.83 176.98 1qjm h LEU 501 N 0.36 0.00 -3.59 5.97 3.38 -1.87 0.84 115.31 120.40 1qjm h LEU 501 Ca 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1qjm h LEU 501 Cb 0.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.83 1qjm h LEU 501 CO 0.01 0.00 0.18 0.00 0.09 0.00 0.00 178.44 178.72 1qjm h ALA 503 N 1.06 -0.17 -0.07 0.00 0.00 0.45 -3.35 119.26 117.18 1qjm h ALA 503 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qjm h ALA 503 Cb 2.10 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1qjm h ALA 503 CO 0.65 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.91 1qjm n LEU 504 N -4.89 0.67 -4.82 0.00 4.77 -0.06 -4.89 117.00 107.78 1qjm n LEU 504 Ca -0.08 -0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.28 1qjm n LEU 504 Cb 0.27 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1qjm n LEU 504 CO 0.26 0.14 0.63 0.00 -1.33 0.00 0.00 177.39 177.09 1qjm n VAL 506 N -0.42 0.91 -1.14 0.00 0.31 -1.26 -4.81 118.33 111.91 1qjm n VAL 506 Ca 0.06 -0.95 0.14 0.00 -0.01 0.00 0.00 64.34 63.57 1qjm n VAL 506 Cb 0.53 0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 33.99 1qjm n VAL 506 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjm n GLY 507 N 0.91 -1.68 1.49 2.92 0.00 -1.26 -4.15 105.19 103.42 1qjm n GLY 507 Ca 0.15 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1qjm n GLY 507 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qjm n ASN 508 N -4.30 -2.98 -0.20 1.61 0.23 0.22 -3.94 115.26 105.90 1qjm n ASN 508 Ca -0.01 -0.43 0.00 0.00 -0.53 0.00 0.00 54.58 53.61 1qjm n ASN 508 Cb 0.63 -0.47 0.11 0.00 -2.08 0.00 0.00 39.78 37.97 1qjm n ASN 508 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1qjm h ASN 509 N -2.74 0.14 -0.05 0.53 2.35 -1.84 0.95 115.58 114.91 1qjm h ASN 509 Ca -0.19 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1qjm h ASN 509 Cb 0.62 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1qjm h ASN 509 CO 0.11 0.08 0.03 -0.62 -1.65 0.00 0.00 177.43 175.39 1qjm n GLU 510 N -5.05 1.10 -4.01 0.81 1.02 -1.26 -4.84 120.64 108.42 1qjm n GLU 510 Ca 0.09 -0.17 -0.34 0.00 -0.02 0.00 0.00 57.16 56.72 1qjm n GLU 510 Cb 0.29 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1qjm n GLU 510 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qjm n ASN 511 N 0.33 -2.13 -4.50 1.62 3.02 0.33 -5.01 115.26 108.92 1qjm n ASN 511 Ca 0.03 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.19 1qjm n ASN 511 Cb 0.51 -2.44 -0.10 0.00 -0.61 0.00 0.00 39.78 37.14 1qjm n ASN 511 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1qjm s GLU 512 N -6.84 1.72 -1.16 3.52 0.41 -1.25 -4.80 118.70 110.30 1qjm s GLU 512 Ca 0.24 -1.84 0.00 0.00 -0.41 0.00 0.00 54.97 52.95 1qjm s GLU 512 Cb -0.11 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 1qjm s GLU 512 CO 0.93 0.21 0.00 0.09 -0.49 0.00 0.00 175.26 176.00 1qjm n ASN 513 N -0.69 -4.15 -4.61 -0.19 5.03 -1.26 -0.61 115.26 108.78 1qjm n ASN 513 Ca -0.05 0.10 -0.57 0.00 0.87 0.00 0.00 54.58 54.94 1qjm n ASN 513 Cb 0.62 -3.13 -0.07 0.00 -1.02 0.00 0.00 39.78 36.17 1qjm n ASN 513 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1qjm n LYS 514 N -2.36 0.74 -0.85 3.52 4.81 -1.26 -0.97 118.16 121.80 1qjm n LYS 514 Ca -0.14 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1qjm n LYS 514 Cb 0.54 -1.87 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1qjm n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qjm n MET 516 N -2.00 0.21 -2.06 0.00 1.56 -0.14 0.12 117.12 114.81 1qjm n MET 516 Ca 0.00 0.14 -0.37 0.00 -0.27 0.00 0.00 57.70 57.19 1qjm n MET 516 Cb 0.00 -2.23 -0.00 0.00 2.15 0.00 0.00 33.22 33.14 1qjm n MET 516 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1qjm n PRO 517 N -2.41 4.04 -4.19 2.12 -0.04 -1.26 -3.79 135.00 129.48 1qjm n PRO 517 Ca 0.12 -3.58 -0.17 0.00 -0.04 0.00 0.00 63.50 59.83 1qjm n PRO 517 Cb 0.50 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 1qjm n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1qjm s ASN 518 N -0.38 1.33 0.66 3.54 2.20 -1.26 -4.77 114.94 116.26 1qjm s ASN 518 Ca 0.50 -1.64 0.28 0.00 -0.94 0.00 0.00 52.86 51.07 1qjm s ASN 518 Cb 0.27 0.61 1.54 0.00 -2.00 0.00 0.00 41.25 41.67 1qjm s ASN 518 CO -0.19 -1.18 1.87 0.77 -2.94 0.00 0.00 177.10 175.43 1qjm h SER 519 N 2.12 0.00 -0.69 3.54 4.64 -1.93 -1.88 113.55 119.35 1qjm h SER 519 Ca -0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1qjm h SER 519 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1qjm h SER 519 CO 0.38 0.00 0.27 -0.33 -0.87 0.00 0.00 176.83 176.28 1qjm h GLU 520 N 0.00 1.04 -5.92 4.77 5.08 -1.96 -3.36 114.58 114.22 1qjm h GLU 520 Ca 0.01 -0.19 -0.54 0.00 -1.00 0.00 0.00 59.36 57.64 1qjm h GLU 520 Cb 0.77 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1qjm h GLU 520 CO -0.00 0.86 1.49 -2.00 -1.00 0.00 0.00 179.01 178.36 1qjm s GLU 521 N -5.54 2.81 0.00 2.33 2.56 -0.71 -3.43 118.70 116.72 1qjm s GLU 521 Ca -0.13 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.47 1qjm s GLU 521 Cb 0.14 -4.41 0.00 0.00 2.00 0.00 0.00 34.13 31.86 1qjm s GLU 521 CO 0.82 -2.48 0.86 0.54 -0.56 0.00 0.00 175.26 174.44 1qjm n ARG 522 N 8.82 0.00 -0.11 4.30 1.74 -1.25 -1.22 116.66 128.93 1qjm n ARG 522 Ca 0.30 0.37 0.09 0.00 -0.77 0.00 0.00 57.85 57.83 1qjm n ARG 522 Cb 0.49 -1.53 0.14 0.00 -1.02 0.00 0.00 32.46 30.54 1qjm n ARG 522 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1qjm n TYR 523 N -1.36 0.29 -0.87 -1.55 4.01 -1.26 -4.43 117.16 111.99 1qjm n TYR 523 Ca 0.00 -0.20 -0.32 0.00 -0.16 0.00 0.00 57.90 57.22 1qjm n TYR 523 Cb 0.03 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.20 1qjm n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1qjm s TYR 524 N -1.28 1.69 0.00 -0.72 5.04 -0.36 -2.34 117.35 119.38 1qjm s TYR 524 Ca 0.27 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1qjm s TYR 524 Cb 0.16 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 39.06 1qjm s TYR 524 CO 0.23 -2.84 0.00 0.41 -1.34 0.00 0.00 175.55 172.01 1qjm n GLY 525 N 0.34 0.06 0.38 8.97 0.00 0.27 -1.91 105.19 113.29 1qjm n GLY 525 Ca 0.13 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1qjm n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qjm h TYR 526 N 0.00 -1.38 0.87 1.61 0.05 -1.92 0.12 116.97 116.32 1qjm h TYR 526 Ca 0.00 0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1qjm h TYR 526 Cb 0.00 0.64 0.01 0.00 1.01 0.00 0.00 36.73 38.38 1qjm h TYR 526 CO 0.00 -0.42 -0.42 1.15 -1.05 0.00 0.00 178.16 177.42 1qjm h THR 527 N -0.39 0.00 -1.00 -2.88 2.02 -1.87 -2.04 112.91 106.75 1qjm h THR 527 Ca 0.05 -0.06 0.24 0.00 0.77 0.00 0.00 66.41 67.40 1qjm h THR 527 Cb 0.52 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1qjm h THR 527 CO -0.44 0.00 0.64 1.23 0.37 0.00 0.00 175.52 177.32 1qjm h GLY 528 N -1.23 1.18 0.50 2.16 0.00 -1.32 0.61 103.07 104.97 1qjm h GLY 528 Ca -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1qjm h GLY 528 CO 0.20 -0.09 -0.12 0.00 0.00 0.00 0.00 176.54 176.53 1qjm h ALA 529 N 1.62 0.06 -0.96 3.60 0.00 -0.35 -2.04 119.26 121.19 1qjm h ALA 529 Ca 0.56 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 55.27 1qjm h ALA 529 Cb 1.33 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1qjm h ALA 529 CO -0.27 -0.03 0.56 0.35 0.00 0.00 0.00 179.25 179.86 1qjm h PHE 530 N -0.43 0.99 -0.12 0.00 3.57 0.91 -0.48 116.94 121.38 1qjm h PHE 530 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1qjm h PHE 530 Cb 0.76 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1qjm h PHE 530 CO 0.14 0.24 -0.12 -0.09 -2.23 0.00 0.00 178.31 176.25 1qjm h ARG 531 N 0.75 0.30 -1.49 1.11 2.43 -1.17 -0.81 114.38 115.50 1qjm h ARG 531 Ca 0.53 -0.16 0.44 0.00 -0.81 0.00 0.00 59.98 59.99 1qjm h ARG 531 Cb 0.77 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.24 1qjm h ARG 531 CO -0.36 0.70 1.04 0.00 -1.51 0.00 0.00 179.97 179.83 1qjm h LEU 533 N 0.06 0.19 0.50 0.00 5.85 -1.45 0.26 115.31 120.72 1qjm h LEU 533 Ca 0.77 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1qjm h LEU 533 Cb 2.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.77 1qjm h LEU 533 CO -0.15 1.36 -0.37 0.00 -0.34 0.00 0.00 178.44 178.94 1qjm h ALA 534 N 0.61 -0.87 0.00 1.25 0.00 0.57 0.24 119.26 121.06 1qjm h ALA 534 Ca -0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qjm h ALA 534 Cb 2.02 0.48 0.00 0.00 0.00 0.00 0.00 17.79 20.29 1qjm h ALA 534 CO 0.09 -1.01 0.00 0.39 0.00 0.00 0.00 179.25 178.72 1qjm n GLU 535 N -5.49 0.75 -0.84 0.00 1.02 0.52 -4.75 120.64 111.85 1qjm n GLU 535 Ca -0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.98 1qjm n GLU 535 Cb 0.38 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1qjm n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qjm n LYS 536 N 0.23 -1.63 0.27 3.49 5.02 0.84 -4.65 118.16 121.75 1qjm n LYS 536 Ca 0.00 0.38 0.16 0.00 -2.02 0.00 0.00 58.31 56.83 1qjm n LYS 536 Cb 0.23 -4.15 0.78 0.00 -0.02 0.00 0.00 35.03 31.88 1qjm n LYS 536 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qjm h ALA 537 N 0.52 1.56 -2.94 7.82 0.00 -1.15 -3.41 119.26 121.66 1qjm h ALA 537 Ca -0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1qjm h ALA 537 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1qjm h ALA 537 CO 0.13 -0.43 -0.04 0.20 0.00 0.00 0.00 179.25 179.11 1qjm s GLY 538 N -3.78 1.03 -0.24 0.00 0.00 -1.01 -4.96 107.32 98.36 1qjm s GLY 538 Ca -0.04 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.51 1qjm s GLY 538 CO 0.34 -0.74 -0.18 1.22 0.00 0.00 0.00 173.10 173.74 1qjm n ASP 539 N -1.28 1.93 -4.24 1.64 8.00 -1.09 -4.40 116.55 117.10 1qjm n ASP 539 Ca -0.02 -0.12 -0.33 0.00 0.71 0.00 0.00 54.79 55.03 1qjm n ASP 539 Cb 0.61 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 41.32 1qjm n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1qjm s VAL 540 N -2.48 2.56 -0.23 2.53 0.11 -0.48 -4.18 120.40 118.24 1qjm s VAL 540 Ca -0.30 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 57.90 1qjm s VAL 540 Cb 0.08 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 1qjm s VAL 540 CO 0.58 0.52 0.00 0.00 -3.33 0.00 0.00 175.10 172.87 1qjm s ALA 541 N 0.89 2.96 -0.29 1.54 0.00 0.28 -0.68 121.76 126.46 1qjm s ALA 541 Ca -0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 1qjm s ALA 541 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 1qjm s ALA 541 CO -0.02 -0.40 0.41 -0.06 0.00 0.00 0.00 175.76 175.70 1qjm s PHE 542 N 1.44 3.23 0.00 0.00 0.08 -0.96 -0.24 117.98 121.53 1qjm s PHE 542 Ca 0.05 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.42 1qjm s PHE 542 Cb -0.15 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1qjm s PHE 542 CO -0.00 -0.32 0.00 1.33 -0.10 0.00 0.00 175.22 176.13 1qjm n VAL 543 N 5.20 0.00 -3.68 -0.44 0.24 -1.15 -4.44 118.33 114.05 1qjm n VAL 543 Ca -0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 1qjm n VAL 543 Cb 0.50 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.80 1qjm n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1qjm s LYS 544 N -1.78 3.98 0.15 7.34 -2.85 -1.26 0.71 119.74 126.03 1qjm s LYS 544 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 55.97 54.86 1qjm s LYS 544 Cb 0.00 -3.34 0.20 0.00 -2.06 0.00 0.00 37.83 32.63 1qjm s LYS 544 CO 0.00 0.45 0.96 -0.40 0.10 0.00 0.00 175.35 176.46 1qjm n ASP 545 N 2.94 -0.34 -0.19 0.03 5.75 -0.97 0.29 116.55 124.06 1qjm n ASP 545 Ca -0.15 1.07 -0.00 0.00 -0.01 0.00 0.00 54.79 55.70 1qjm n ASP 545 Cb 0.53 -0.27 0.10 0.00 -1.03 0.00 0.00 41.12 40.44 1qjm n ASP 545 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1qjm h VAL 546 N 0.00 0.70 0.00 2.12 2.07 -1.93 -2.33 116.25 116.87 1qjm h VAL 546 Ca 0.24 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1qjm h VAL 546 Cb 0.40 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1qjm h VAL 546 CO -0.62 0.06 0.00 0.41 0.02 0.00 0.00 177.57 177.43 1qjm n THR 547 N -5.08 0.00 -0.27 2.57 -1.04 0.84 -0.64 114.28 110.66 1qjm n THR 547 Ca 0.08 0.78 -0.04 0.00 -2.04 0.00 0.00 64.05 62.83 1qjm n THR 547 Cb 0.29 -1.06 0.01 0.00 -1.82 0.00 0.00 70.33 67.75 1qjm n THR 547 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1qjm h VAL 548 N 0.00 0.10 -0.86 12.58 2.07 -1.49 0.33 116.25 128.98 1qjm h VAL 548 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1qjm h VAL 548 Cb 0.00 0.10 -0.16 0.00 -1.52 0.00 0.00 31.29 29.71 1qjm h VAL 548 CO 0.00 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.30 1qjm h LEU 549 N -0.12 -0.83 -2.26 2.57 3.38 -0.90 -0.01 115.31 117.13 1qjm h LEU 549 Ca 0.26 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 1qjm h LEU 549 Cb 0.56 0.54 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1qjm h LEU 549 CO -0.79 -0.29 -0.03 1.56 0.09 0.00 0.00 178.44 178.99 1qjm h GLN 550 N -0.00 0.00 0.00 1.13 4.20 0.49 -3.19 115.11 117.74 1qjm h GLN 550 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1qjm h GLN 550 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1qjm h GLN 550 CO -0.89 0.03 -0.69 0.09 -0.67 0.00 0.00 178.83 176.70 1qjm n ASN 551 N -3.26 1.32 -4.89 1.46 3.02 -0.09 -2.94 115.26 109.88 1qjm n ASN 551 Ca -0.02 -0.45 -0.24 0.00 -0.03 0.00 0.00 54.58 53.84 1qjm n ASN 551 Cb 0.18 1.12 0.06 0.00 -0.61 0.00 0.00 39.78 40.53 1qjm n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qjm s THR 552 N -1.99 2.40 -1.37 3.41 -4.23 -0.79 -3.62 115.64 109.45 1qjm s THR 552 Ca 0.01 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1qjm s THR 552 Cb 0.05 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1qjm s THR 552 CO 0.31 0.00 0.50 0.47 -0.54 0.00 0.00 174.62 175.37 1qjm n ASP 553 N -2.72 -0.80 -0.34 3.99 8.00 0.49 -2.42 116.55 122.74 1qjm n ASP 553 Ca 0.09 -0.97 -0.04 0.00 0.71 0.00 0.00 54.79 54.58 1qjm n ASP 553 Cb 0.60 -3.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.39 1qjm n ASP 553 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qjm n GLY 554 N -1.88 0.61 0.32 0.44 0.00 -1.25 -4.94 105.19 98.51 1qjm n GLY 554 Ca -0.30 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1qjm n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjm h LYS 555 N 0.26 -0.75 -5.81 1.61 1.57 -1.60 -3.40 116.57 108.46 1qjm h LYS 555 Ca -0.09 0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 58.14 1qjm h LYS 555 Cb 0.67 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.05 1qjm h LYS 555 CO 0.13 -0.50 0.44 1.21 -0.57 0.00 0.00 179.45 180.16 1qjm s ASN 556 N -4.36 6.72 0.00 0.86 3.04 -1.15 -4.95 114.94 115.10 1qjm s ASN 556 Ca -0.11 0.78 0.00 0.00 0.04 0.00 0.00 52.86 53.57 1qjm s ASN 556 Cb 0.01 -2.42 0.00 0.00 -1.54 0.00 0.00 41.25 37.30 1qjm s ASN 556 CO 0.34 -0.60 0.50 -1.54 -3.04 0.00 0.00 177.10 172.76 1qjm n SER 557 N 6.19 1.01 -4.67 -4.21 3.41 -1.26 -3.93 113.62 110.16 1qjm n SER 557 Ca 0.05 -1.96 -0.43 0.00 -0.26 0.00 0.00 58.87 56.27 1qjm n SER 557 Cb 0.48 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1qjm n SER 557 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1qjm s GLU 558 N -0.99 4.28 0.00 4.33 2.12 -1.26 -4.75 118.70 122.43 1qjm s GLU 558 Ca 0.00 1.53 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1qjm s GLU 558 Cb 0.00 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1qjm s GLU 558 CO 0.00 -0.61 0.00 -2.30 -0.54 0.00 0.00 175.26 171.81 1qjm n PRO 559 N 6.18 0.00 -0.18 4.30 -0.02 -1.26 0.14 135.00 144.15 1qjm n PRO 559 Ca 0.12 0.00 0.22 0.00 -2.02 0.00 0.00 63.50 61.82 1qjm n PRO 559 Cb 0.46 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.53 1qjm n PRO 559 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1qjm h TRP 560 N 0.00 0.30 0.00 6.00 5.08 -1.97 -3.06 115.95 122.30 1qjm h TRP 560 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1qjm h TRP 560 Cb 0.00 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 1qjm h TRP 560 CO 0.00 0.09 0.00 0.00 -1.28 0.00 0.00 178.44 177.25 1qjm n ALA 561 N -2.59 0.00 0.00 0.11 0.00 0.36 -4.81 120.51 113.58 1qjm n ALA 561 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1qjm n ALA 561 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1qjm n ALA 561 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1qjm n LYS 562 N -0.89 0.00 -0.77 0.00 4.81 -0.85 0.19 118.16 120.65 1qjm n LYS 562 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1qjm n LYS 562 Cb 0.00 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.30 1qjm n LYS 562 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1qjm n ASP 563 N 0.00 3.73 -4.80 3.14 8.00 -1.26 -3.78 116.55 121.58 1qjm n ASP 563 Ca 0.00 -3.35 -0.34 0.00 0.71 0.00 0.00 54.79 51.82 1qjm n ASP 563 Cb 0.00 -0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1qjm n ASP 563 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qjm s LEU 564 N -3.04 3.87 -0.02 0.64 1.43 0.13 -4.92 118.68 116.77 1qjm s LEU 564 Ca 0.48 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.48 1qjm s LEU 564 Cb 0.40 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1qjm s LEU 564 CO 0.08 -0.71 -0.01 -0.54 0.23 0.00 0.00 176.35 175.39 1qjm s LYS 565 N -3.20 0.23 0.27 1.70 1.02 -1.26 -0.38 119.74 118.12 1qjm s LYS 565 Ca 0.66 0.01 -0.04 0.00 0.02 0.00 0.00 55.97 56.62 1qjm s LYS 565 Cb -0.15 -0.33 0.56 0.00 -0.52 0.00 0.00 37.83 37.39 1qjm s LYS 565 CO 0.19 -0.05 1.60 1.96 -0.92 0.00 0.00 175.35 178.13 1qjm h GLN 566 N 6.70 0.05 -0.14 1.68 4.20 -1.94 0.54 115.11 126.19 1qjm h GLN 566 Ca -0.35 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.40 1qjm h GLN 566 Cb 1.16 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1qjm h GLN 566 CO 0.49 0.03 0.11 0.93 -0.67 0.00 0.00 178.83 179.72 1qjm h GLU 567 N 0.05 0.00 0.00 1.46 4.39 -2.02 0.58 114.58 119.04 1qjm h GLU 567 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1qjm h GLU 567 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1qjm h GLU 567 CO -0.81 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 176.79 1qjm n ASP 568 N -4.43 0.00 -4.28 1.42 8.00 0.19 -4.69 116.55 112.76 1qjm n ASP 568 Ca 0.00 0.38 -0.30 0.00 0.71 0.00 0.00 54.79 55.58 1qjm n ASP 568 Cb 0.23 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.73 1qjm n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qjm s PHE 569 N -2.89 2.23 0.14 1.24 0.08 0.20 -2.26 117.98 116.73 1qjm s PHE 569 Ca 0.10 -0.47 0.11 0.00 0.12 0.00 0.00 56.93 56.79 1qjm s PHE 569 Cb 0.10 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1qjm s PHE 569 CO 0.28 -0.07 -0.26 -1.21 -0.10 0.00 0.00 175.22 173.85 1qjm s GLU 570 N -0.50 1.43 -0.16 0.44 2.02 -0.85 -3.02 118.70 118.06 1qjm s GLU 570 Ca 0.07 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 53.62 1qjm s GLU 570 Cb -0.10 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 1qjm s GLU 570 CO -0.00 0.44 0.03 -0.51 0.02 0.00 0.00 175.26 175.24 1qjm s LEU 571 N -2.18 3.67 0.07 1.80 1.43 -0.12 -2.64 118.68 120.72 1qjm s LEU 571 Ca 0.15 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 1qjm s LEU 571 Cb -0.10 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1qjm s LEU 571 CO 0.07 0.21 0.75 -0.76 0.23 0.00 0.00 176.35 176.84 1qjm s LEU 572 N 0.16 4.48 -0.12 1.79 1.43 -0.15 0.04 118.68 126.31 1qjm s LEU 572 Ca 0.03 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1qjm s LEU 572 Cb -0.13 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 42.89 1qjm s LEU 572 CO 0.01 0.07 -0.21 0.00 0.23 0.00 0.00 176.35 176.46 1qjm n LEU 574 N 3.92 0.00 -0.93 0.00 4.77 -1.26 0.53 117.00 124.03 1qjm n LEU 574 Ca -0.20 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.80 1qjm n LEU 574 Cb 0.52 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.77 1qjm n LEU 574 CO 0.27 0.00 0.30 -0.90 -1.33 0.00 0.00 177.39 175.72 1qjm n ASP 575 N -0.43 2.07 0.00 -1.43 5.75 -1.26 -4.95 116.55 116.30 1qjm n ASP 575 Ca 0.00 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.13 1qjm n ASP 575 Cb 0.11 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1qjm n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qjm n GLY 576 N -0.89 0.22 3.85 6.12 0.00 0.19 -4.93 105.19 109.74 1qjm n GLY 576 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1qjm n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjm s THR 577 N -1.62 4.55 0.06 2.61 2.01 -0.67 -4.83 115.64 117.76 1qjm s THR 577 Ca 0.00 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.23 1qjm s THR 577 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1qjm s THR 577 CO 0.00 -0.75 -0.16 -0.13 -0.69 0.00 0.00 174.62 172.90 1qjm s ARG 578 N -4.21 0.94 0.29 4.92 0.52 -1.25 0.81 118.95 120.97 1qjm s ARG 578 Ca 0.58 -0.93 0.07 0.00 -0.52 0.00 0.00 55.73 54.93 1qjm s ARG 578 Cb -0.10 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 1qjm s ARG 578 CO 0.34 0.23 0.26 1.63 0.02 0.00 0.00 175.30 177.78 1qjm n LYS 579 N 1.47 0.37 -1.70 3.54 4.76 0.11 -4.91 118.16 121.79 1qjm n LYS 579 Ca -0.20 -2.92 -0.29 0.00 -2.87 0.00 0.00 58.31 52.03 1qjm n LYS 579 Cb 0.54 2.42 0.14 0.00 -1.84 0.00 0.00 35.03 36.29 1qjm n LYS 579 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1qjm s PRO 580 N -3.17 1.07 0.60 1.97 0.02 -1.26 -0.94 135.00 133.29 1qjm s PRO 580 Ca 0.35 0.04 0.40 0.00 0.02 0.00 0.00 61.00 61.81 1qjm s PRO 580 Cb 0.02 -1.85 2.05 0.00 0.02 0.00 0.00 34.50 34.73 1qjm s PRO 580 CO 0.25 -2.19 2.21 0.28 -0.33 0.00 0.00 177.00 177.21 1qjm h VAL 581 N -1.49 0.00 0.06 3.83 2.07 -1.78 -3.21 116.25 115.73 1qjm h VAL 581 Ca -0.47 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 66.65 1qjm h VAL 581 Cb 1.31 1.09 0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1qjm h VAL 581 CO 0.55 0.00 -1.12 0.00 0.02 0.00 0.00 177.57 177.03 1qjm h ALA 582 N 2.01 0.15 0.00 1.67 0.00 -1.92 -3.33 119.26 117.84 1qjm h ALA 582 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1qjm h ALA 582 Cb 0.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qjm h ALA 582 CO 0.00 0.77 0.00 0.39 0.00 0.00 0.00 179.25 180.41 1qjm n GLU 583 N -3.75 0.17 -0.33 0.00 1.02 -1.21 -3.96 120.64 112.58 1qjm n GLU 583 Ca -0.10 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.23 1qjm n GLU 583 Cb 0.93 -1.04 0.40 0.00 -0.02 0.00 0.00 31.44 31.71 1qjm n GLU 583 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qjm h ALA 584 N 1.26 1.77 -0.58 0.62 0.00 -1.77 0.74 119.26 121.31 1qjm h ALA 584 Ca 0.00 0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1qjm h ALA 584 Cb 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qjm h ALA 584 CO 0.00 -0.42 0.58 0.93 0.00 0.00 0.00 179.25 180.34 1qjm h GLU 585 N 0.42 0.00 0.00 0.00 4.39 -1.93 0.05 114.58 117.52 1qjm h GLU 585 Ca 0.66 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1qjm h GLU 585 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1qjm h GLU 585 CO -0.55 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 177.73 1qjm n SER 586 N -3.75 0.79 -3.42 1.42 7.64 0.22 -4.81 113.62 111.71 1qjm n SER 586 Ca 0.11 -0.90 -0.26 0.00 1.01 0.00 0.00 58.87 58.83 1qjm n SER 586 Cb 0.79 0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 64.12 1qjm n SER 586 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qjm s HIS 588 N -1.77 0.07 0.05 0.00 -0.00 -1.19 -4.39 115.29 108.06 1qjm s HIS 588 Ca 0.36 -0.45 -0.10 0.00 -0.00 0.00 0.00 55.06 54.87 1qjm s HIS 588 Cb 0.12 0.07 -0.32 0.00 -0.00 0.00 0.00 32.58 32.45 1qjm s HIS 588 CO -0.08 -0.64 1.07 -0.07 -0.00 0.00 0.00 174.74 175.03 1qjm h LEU 589 N 2.57 0.64 0.00 5.38 3.38 -1.61 -3.43 115.31 122.24 1qjm h LEU 589 Ca -0.33 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 56.96 1qjm h LEU 589 Cb 1.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1qjm h LEU 589 CO 0.51 1.53 0.00 0.00 0.09 0.00 0.00 178.44 180.57 1qjm n ALA 590 N -2.62 0.00 -4.10 1.53 0.00 -1.23 -5.05 120.51 109.03 1qjm n ALA 590 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1qjm n ALA 590 Cb 1.06 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.35 1qjm n ALA 590 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1qjm s ARG 591 N -0.82 2.84 0.13 0.00 6.06 -1.26 -2.86 118.95 123.03 1qjm s ARG 591 Ca 0.00 -0.83 -0.03 0.00 -2.50 0.00 0.00 55.73 52.38 1qjm s ARG 591 Cb 0.00 -2.53 -0.05 0.00 0.06 0.00 0.00 34.95 32.43 1qjm s ARG 591 CO 0.00 -0.24 0.33 0.00 -2.50 0.00 0.00 175.30 172.89 1qjm s ALA 592 N 1.31 3.86 0.45 6.12 0.00 0.18 -4.90 121.76 128.77 1qjm s ALA 592 Ca 0.04 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1qjm s ALA 592 Cb -0.13 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1qjm s ALA 592 CO -0.12 0.69 1.14 -2.14 0.00 0.00 0.00 175.76 175.32 1qjm s PRO 593 N -2.70 3.85 0.89 0.00 0.02 -1.26 -2.15 135.00 133.65 1qjm s PRO 593 Ca 0.39 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 1qjm s PRO 593 Cb -0.12 -2.43 0.12 0.00 0.02 0.00 0.00 34.50 32.09 1qjm s PRO 593 CO 0.26 -0.46 1.09 -0.80 -0.33 0.00 0.00 177.00 176.77 1qjm s ASN 594 N -1.42 3.57 0.98 2.53 -0.87 -1.26 -4.64 114.94 113.83 1qjm s ASN 594 Ca 0.62 1.46 -0.12 0.00 -1.57 0.00 0.00 52.86 53.25 1qjm s ASN 594 Cb -0.27 -2.14 0.18 0.00 -0.02 0.00 0.00 41.25 39.00 1qjm s ASN 594 CO 0.33 -2.57 1.09 -1.00 -2.57 0.00 0.00 177.10 172.37 1qjm s HIS 595 N -2.96 2.11 -0.16 2.20 3.76 -1.26 -4.52 115.29 114.46 1qjm s HIS 595 Ca 0.63 1.06 -0.07 0.00 -0.15 0.00 0.00 55.06 56.53 1qjm s HIS 595 Cb -0.18 -3.23 0.06 0.00 1.11 0.00 0.00 32.58 30.34 1qjm s HIS 595 CO 0.57 -2.83 0.36 0.00 -0.85 0.00 0.00 174.74 171.98 1qjm s ALA 596 N -2.93 -0.92 0.92 -1.40 0.00 -0.57 -2.90 121.76 113.96 1qjm s ALA 596 Ca 0.65 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.85 1qjm s ALA 596 Cb -0.19 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 22.12 1qjm s ALA 596 CO 0.58 -0.39 1.09 0.08 0.00 0.00 0.00 175.76 177.12 1qjm s VAL 597 N 1.71 2.55 0.18 0.00 1.01 -0.56 -2.72 120.40 122.58 1qjm s VAL 597 Ca -0.07 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1qjm s VAL 597 Cb -0.10 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1qjm s VAL 597 CO -0.11 -0.23 0.64 0.68 0.00 0.00 0.00 175.10 176.07 1qjm s VAL 598 N -2.82 0.00 0.00 2.92 -7.23 -0.88 -1.97 120.40 110.42 1qjm s VAL 598 Ca 0.64 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 1qjm s VAL 598 Cb -0.20 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1qjm s VAL 598 CO 0.58 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.83 1qjm n SER 599 N -0.39 0.00 -4.73 4.85 3.41 -1.13 -3.11 113.62 112.51 1qjm n SER 599 Ca -0.14 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.47 1qjm n SER 599 Cb 0.63 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1qjm n SER 599 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qjm s GLN 600 N -0.76 4.64 0.37 4.33 -1.52 -1.26 -1.80 119.66 123.66 1qjm s GLN 600 Ca 0.00 1.50 0.20 0.00 -1.95 0.00 0.00 55.36 55.11 1qjm s GLN 600 Cb 0.00 -3.38 1.27 0.00 -0.22 0.00 0.00 33.01 30.68 1qjm s GLN 600 CO 0.00 0.12 1.61 0.66 -0.25 0.00 0.00 175.29 177.43 1qjm h SER 601 N 5.80 0.38 0.00 5.90 4.64 -1.89 -1.51 113.55 126.87 1qjm h SER 601 Ca -0.43 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1qjm h SER 601 Cb 1.21 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1qjm h SER 601 CO 0.73 -0.30 0.00 -0.67 -0.87 0.00 0.00 176.83 175.72 1qjm n ASP 602 N -5.12 0.00 0.00 4.97 2.03 -1.26 -0.71 116.55 116.46 1qjm n ASP 602 Ca 0.36 0.60 0.08 0.00 0.52 0.00 0.00 54.79 56.34 1qjm n ASP 602 Cb 1.20 -0.13 0.45 0.00 -0.72 0.00 0.00 41.12 41.92 1qjm n ASP 602 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qjm n ARG 603 N -1.53 0.46 -0.10 -0.67 5.12 -0.60 -4.14 116.66 115.20 1qjm n ARG 603 Ca 0.00 0.01 -0.03 0.00 -1.93 0.00 0.00 57.85 55.91 1qjm n ARG 603 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 1qjm n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qjm n ALA 604 N -1.02 -0.15 -0.58 7.54 0.00 0.11 -1.25 120.51 125.16 1qjm n ALA 604 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1qjm n ALA 604 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1qjm n ALA 604 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1qjm n GLN 605 N -4.30 0.00 -0.47 0.00 7.27 -1.26 -2.16 117.38 116.46 1qjm n GLN 605 Ca 0.01 0.27 0.39 0.00 0.07 0.00 0.00 57.00 57.73 1qjm n GLN 605 Cb 0.06 -1.21 0.68 0.00 2.41 0.00 0.00 30.24 32.19 1qjm n GLN 605 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1qjm h HIS 606 N 0.00 0.36 0.47 3.69 2.76 -1.64 3.85 115.15 124.65 1qjm h HIS 606 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1qjm h HIS 606 Cb 0.00 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 1qjm h HIS 606 CO 0.04 -0.11 -0.26 1.25 -1.30 0.00 0.00 177.93 177.55 1qjm h LEU 607 N 0.09 -0.63 -0.19 0.26 7.12 -1.11 -2.84 115.31 118.01 1qjm h LEU 607 Ca 0.79 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.88 1qjm h LEU 607 Cb 2.68 0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 42.93 1qjm h LEU 607 CO -0.27 -0.42 -0.17 0.50 -0.13 0.00 0.00 178.44 177.95 1qjm h LYS 608 N -0.68 -0.18 0.13 1.25 3.64 0.78 -2.50 116.57 119.01 1qjm h LYS 608 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1qjm h LYS 608 Cb 0.54 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1qjm h LYS 608 CO 0.08 -0.12 -0.22 -0.22 -2.27 0.00 0.00 179.45 176.70 1qjm h LYS 609 N -0.18 -0.40 -0.17 1.90 3.64 -1.19 -0.31 116.57 119.85 1qjm h LYS 609 Ca 0.12 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 1qjm h LYS 609 Cb 0.36 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1qjm h LYS 609 CO -0.30 -0.27 -0.55 0.28 -2.27 0.00 0.00 179.45 176.34 1qjm h VAL 610 N -0.42 1.33 -0.45 2.00 2.07 -1.50 -1.18 116.25 118.10 1qjm h VAL 610 Ca 0.02 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.74 1qjm h VAL 610 Cb 0.44 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1qjm h VAL 610 CO -0.11 0.56 0.29 -0.07 0.02 0.00 0.00 177.57 178.25 1qjm h LEU 611 N 0.38 0.49 -0.74 2.57 3.38 -1.17 0.33 115.31 120.55 1qjm h LEU 611 Ca 0.01 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1qjm h LEU 611 Cb 1.08 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1qjm h LEU 611 CO 0.10 0.35 0.28 -0.26 0.09 0.00 0.00 178.44 179.00 1qjm h PHE 612 N 0.59 0.48 0.53 1.13 0.04 -0.76 1.17 116.94 120.12 1qjm h PHE 612 Ca 0.17 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 1qjm h PHE 612 Cb -0.04 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1qjm h PHE 612 CO -0.05 0.05 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.35 1qjm h LEU 613 N 0.42 -0.69 -0.99 1.54 3.38 0.05 -1.31 115.31 117.70 1qjm h LEU 613 Ca 0.40 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.72 1qjm h LEU 613 Cb 0.61 0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 1qjm h LEU 613 CO -0.41 -0.46 0.53 1.56 0.09 0.00 0.00 178.44 179.75 1qjm h GLN 614 N -0.75 0.29 0.00 1.13 1.08 0.17 0.93 115.11 117.96 1qjm h GLN 614 Ca -0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1qjm h GLN 614 Cb 0.59 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1qjm h GLN 614 CO 0.10 0.19 0.00 0.37 -0.95 0.00 0.00 178.83 178.54 1qjm h GLN 615 N 0.30 0.00 0.00 1.46 4.15 0.15 0.27 115.11 121.43 1qjm h GLN 615 Ca 0.72 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.13 1qjm h GLN 615 Cb 1.64 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.33 1qjm h GLN 615 CO -0.62 0.00 -0.65 -0.44 -1.93 0.00 0.00 178.83 175.19 1qjm h ASP 616 N 0.00 0.00 0.00 -0.69 3.32 0.21 -3.26 116.42 116.00 1qjm h ASP 616 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qjm h ASP 616 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qjm h ASP 616 CO 0.00 0.05 -1.54 1.67 -1.72 0.00 0.00 179.24 177.70 1qjm n GLN 617 N -2.86 0.54 -1.20 3.56 7.27 -0.77 -4.38 117.38 119.55 1qjm n GLN 617 Ca 0.01 -0.11 -0.01 0.00 0.07 0.00 0.00 57.00 56.96 1qjm n GLN 617 Cb 0.56 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.73 1qjm n GLN 617 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1qjm n PHE 618 N -1.92 0.00 0.00 3.69 3.72 0.05 -3.56 117.46 119.45 1qjm n PHE 618 Ca -0.01 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 1qjm n PHE 618 Cb 0.45 0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 1qjm n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qjm n GLY 619 N 0.25 1.30 0.20 1.37 0.00 -1.23 0.12 105.19 107.20 1qjm n GLY 619 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1qjm n GLY 619 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qjm h GLY 620 N 0.00 -0.00 -0.73 -0.02 0.00 -1.79 -3.05 103.07 97.48 1qjm h GLY 620 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1qjm h GLY 620 CO 0.00 -0.16 0.00 0.70 0.00 0.00 0.00 176.54 177.08 1qjm n ASN 621 N -5.31 2.76 -1.98 0.19 5.03 -1.26 -5.03 115.26 109.66 1qjm n ASN 621 Ca -0.01 -2.46 -0.28 0.00 0.87 0.00 0.00 54.58 52.70 1qjm n ASN 621 Cb 0.22 -0.28 -0.05 0.00 -1.02 0.00 0.00 39.78 38.65 1qjm n ASN 621 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qjm n GLY 622 N -0.40 -0.03 0.37 7.41 0.00 -1.15 -4.64 105.19 106.74 1qjm n GLY 622 Ca 0.11 0.50 0.18 0.00 0.00 0.00 0.00 46.02 46.81 1qjm n GLY 622 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qjm h PRO 623 N 3.64 0.00 0.00 1.61 0.11 -1.76 0.96 132.00 136.56 1qjm h PRO 623 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1qjm h PRO 623 Cb 0.64 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1qjm h PRO 623 CO 0.48 0.00 -0.13 -0.25 -0.21 0.00 0.00 178.00 177.89 1qjm n ASP 624 N -3.32 2.13 0.00 -2.05 9.92 -1.23 -4.88 116.55 117.11 1qjm n ASP 624 Ca 0.04 -3.22 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1qjm n ASP 624 Cb 0.57 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1qjm n ASP 624 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qjm n PRO 626 N -1.85 0.12 0.00 0.00 -0.02 -1.26 -3.26 135.00 128.73 1qjm n PRO 626 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1qjm n PRO 626 Cb 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1qjm n PRO 626 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjm n GLY 627 N -1.21 0.51 0.38 -1.23 0.00 -1.21 -4.79 105.19 97.63 1qjm n GLY 627 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1qjm n GLY 627 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qjm n LYS 628 N -0.66 0.72 0.00 1.61 2.85 -0.94 -5.06 118.16 116.68 1qjm n LYS 628 Ca 0.00 -1.19 0.00 0.00 -1.05 0.00 0.00 58.31 56.07 1qjm n LYS 628 Cb 0.00 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1qjm n LYS 628 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qjm n PHE 629 N 0.46 0.00 -4.07 5.58 7.35 -1.10 -4.95 117.46 120.73 1qjm n PHE 629 Ca 0.06 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.43 1qjm n PHE 629 Cb 0.25 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.92 1qjm n PHE 629 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qjm h LEU 631 N 7.96 -0.34 -1.61 0.00 5.85 0.57 -3.01 115.31 124.74 1qjm h LEU 631 Ca -0.38 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1qjm h LEU 631 Cb 1.12 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1qjm h LEU 631 CO 0.57 -0.17 0.02 0.49 -0.34 0.00 0.00 178.44 179.01 1qjm n PHE 632 N -5.23 0.25 -4.80 1.25 3.72 -1.25 -4.82 117.46 106.59 1qjm n PHE 632 Ca -0.10 -0.28 -0.27 0.00 -0.05 0.00 0.00 57.45 56.75 1qjm n PHE 632 Cb 0.20 -0.21 -0.17 0.00 -0.94 0.00 0.00 39.48 38.37 1qjm n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1qjm s LYS 633 N -0.88 2.03 -0.32 -1.08 3.01 -1.14 -4.43 119.74 116.94 1qjm s LYS 633 Ca 0.06 -0.58 0.16 0.00 -1.01 0.00 0.00 55.97 54.60 1qjm s LYS 633 Cb 0.05 -1.65 0.44 0.00 -1.01 0.00 0.00 37.83 35.65 1qjm s LYS 633 CO 0.01 0.12 1.39 -1.13 0.51 0.00 0.00 175.35 176.26 1qjm n SER 634 N 3.56 -0.55 -3.68 2.83 3.41 -1.26 -4.84 113.62 113.08 1qjm n SER 634 Ca -0.21 -2.20 -0.29 0.00 -0.26 0.00 0.00 58.87 55.91 1qjm n SER 634 Cb 0.52 0.35 0.04 0.00 -0.26 0.00 0.00 64.21 64.86 1qjm n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qjm n GLU 635 N -1.16 -1.77 -1.42 4.33 1.02 -1.26 0.10 120.64 120.47 1qjm n GLU 635 Ca -0.09 0.49 -0.06 0.00 -0.02 0.00 0.00 57.16 57.47 1qjm n GLU 635 Cb 0.85 -4.35 -0.02 0.00 -0.02 0.00 0.00 31.44 27.90 1qjm n GLU 635 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qjm n THR 636 N -4.16 -0.06 0.91 2.62 -2.24 -1.26 -4.75 114.28 105.35 1qjm n THR 636 Ca -0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 1qjm n THR 636 Cb 0.61 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 1qjm n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qjm n LYS 637 N -1.65 1.36 -3.63 -0.78 5.02 0.11 -4.80 118.16 113.78 1qjm n LYS 637 Ca -0.07 -0.93 -0.24 0.00 -2.02 0.00 0.00 58.31 55.06 1qjm n LYS 637 Cb 0.28 -1.41 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1qjm n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qjm n ASN 638 N -0.07 -3.37 -4.62 4.39 3.02 -1.24 -4.92 115.26 108.44 1qjm n ASN 638 Ca 0.08 -0.87 -0.43 0.00 -0.03 0.00 0.00 54.58 53.33 1qjm n ASN 638 Cb 0.43 -3.99 -0.02 0.00 -0.61 0.00 0.00 39.78 35.58 1qjm n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qjm s LEU 639 N -6.41 3.81 0.00 3.41 1.43 -1.26 -4.26 118.68 115.41 1qjm s LEU 639 Ca 0.23 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1qjm s LEU 639 Cb -0.06 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1qjm s LEU 639 CO 0.82 -1.09 0.00 0.18 0.23 0.00 0.00 176.35 176.48 1qjm n LEU 640 N 7.58 0.00 -4.16 1.79 4.77 -1.26 -4.79 117.00 120.93 1qjm n LEU 640 Ca 0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1qjm n LEU 640 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1qjm n LEU 640 CO 0.64 0.00 -0.06 -0.36 -1.33 0.00 0.00 177.39 176.29 1qjm s PHE 641 N 0.00 1.11 0.35 -1.77 0.40 -1.26 -4.61 117.98 112.20 1qjm s PHE 641 Ca 0.00 -1.29 -0.28 0.00 -0.60 0.00 0.00 56.93 54.76 1qjm s PHE 641 Cb 0.00 -0.35 -0.10 0.00 0.51 0.00 0.00 43.02 43.08 1qjm s PHE 641 CO 0.00 -0.85 1.27 -0.80 0.70 0.00 0.00 175.22 175.53 1qjm s ASN 642 N -3.19 6.67 0.34 1.36 0.01 -1.26 -4.53 114.94 114.34 1qjm s ASN 642 Ca 0.35 2.59 0.24 0.00 -0.71 0.00 0.00 52.86 55.32 1qjm s ASN 642 Cb 0.03 -2.64 1.22 0.00 0.41 0.00 0.00 41.25 40.27 1qjm s ASN 642 CO 0.16 -0.59 1.73 0.44 -1.51 0.00 0.00 177.10 177.32 1qjm h ASP 643 N 3.14 0.00 -0.64 -1.22 3.32 -1.92 -1.68 116.42 117.43 1qjm h ASP 643 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1qjm h ASP 643 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1qjm h ASP 643 CO 0.64 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.70 1qjm n ASN 644 N -2.33 4.64 -4.64 6.45 6.94 -1.26 -4.71 115.26 120.36 1qjm n ASN 644 Ca -0.01 -2.42 -0.43 0.00 -0.02 0.00 0.00 54.58 51.70 1qjm n ASN 644 Cb 0.08 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 1qjm n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qjm s THR 645 N -1.83 3.33 -0.03 5.53 2.01 -0.63 -3.19 115.64 120.83 1qjm s THR 645 Ca 0.50 0.37 -0.24 0.00 0.31 0.00 0.00 61.69 62.63 1qjm s THR 645 Cb 0.32 -3.31 -0.18 0.00 0.01 0.00 0.00 72.50 69.33 1qjm s THR 645 CO 0.24 -0.11 1.13 -0.08 -0.69 0.00 0.00 174.62 175.11 1qjm h GLU 646 N 11.49 -0.14 0.00 4.92 4.81 -1.12 -3.42 114.58 131.12 1qjm h GLU 646 Ca -0.41 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1qjm h GLU 646 Cb 1.20 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1qjm h GLU 646 CO 0.97 0.31 0.13 0.00 -0.73 0.00 0.00 179.01 179.68 1qjm s LEU 648 N 0.00 2.53 0.44 0.00 1.43 -1.24 0.27 118.68 122.12 1qjm s LEU 648 Ca 0.05 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1qjm s LEU 648 Cb -0.00 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1qjm s LEU 648 CO 0.01 0.18 0.02 0.00 0.23 0.00 0.00 176.35 176.78 1qjm s ALA 649 N 0.28 3.47 0.28 4.21 0.00 0.50 -4.73 121.76 125.77 1qjm s ALA 649 Ca -0.12 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 1qjm s ALA 649 Cb -0.16 0.18 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1qjm s ALA 649 CO 0.06 -0.11 1.33 -1.21 0.00 0.00 0.00 175.76 175.84 1qjm s GLU 650 N -3.79 4.35 0.00 0.00 0.41 -1.20 0.21 118.70 118.69 1qjm s GLU 650 Ca 0.23 2.19 0.04 0.00 -0.41 0.00 0.00 54.97 57.02 1qjm s GLU 650 Cb 0.06 -3.11 0.27 0.00 -1.78 0.00 0.00 34.13 29.57 1qjm s GLU 650 CO 0.12 -0.24 1.00 1.28 -0.49 0.00 0.00 175.26 176.93 1qjm n LEU 651 N 1.56 0.00 -3.89 1.80 4.77 -1.26 -4.81 117.00 115.17 1qjm n LEU 651 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1qjm n LEU 651 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1qjm n LEU 651 CO 0.59 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.47 1qjm n GLN 652 N -0.59 -2.18 0.00 3.23 1.13 -1.26 -0.92 117.38 116.80 1qjm n GLN 652 Ca 0.03 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1qjm n GLN 652 Cb 0.02 -4.14 0.00 0.00 0.11 0.00 0.00 30.24 26.22 1qjm n GLN 652 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qjm n GLY 653 N -1.92 1.62 3.56 1.08 0.00 -1.26 -4.87 105.19 103.41 1qjm n GLY 653 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1qjm n GLY 653 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qjm n LYS 654 N -1.46 1.53 -0.00 1.61 4.76 -0.09 -4.62 118.16 119.88 1qjm n LYS 654 Ca 0.00 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1qjm n LYS 654 Cb 0.00 -3.15 -0.01 0.00 -1.84 0.00 0.00 35.03 30.03 1qjm n LYS 654 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1qjm n THR 655 N 7.76 0.00 -4.07 -0.18 -2.24 -1.26 -4.66 114.28 109.62 1qjm n THR 655 Ca 0.35 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 1qjm n THR 655 Cb 0.44 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1qjm n THR 655 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qjm s THR 656 N -1.62 4.46 0.18 4.28 -4.23 -1.26 -4.33 115.64 113.12 1qjm s THR 656 Ca -0.00 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1qjm s THR 656 Cb 0.01 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.80 1qjm s THR 656 CO 0.04 0.15 1.59 0.10 -0.54 0.00 0.00 174.62 175.96 1qjm h TYR 657 N 3.40 -0.90 -0.85 3.99 -0.00 -1.94 0.38 116.97 121.04 1qjm h TYR 657 Ca -0.47 0.06 0.18 0.00 0.00 0.00 0.00 58.73 58.50 1qjm h TYR 657 Cb 1.16 0.47 -0.11 0.00 0.00 0.00 0.00 36.73 38.25 1qjm h TYR 657 CO 0.61 -0.38 0.38 0.93 -0.00 0.00 0.00 178.16 179.70 1qjm h GLU 658 N -0.21 0.47 -0.78 0.10 3.07 -1.95 0.35 114.58 115.63 1qjm h GLU 658 Ca 0.20 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1qjm h GLU 658 Cb 0.54 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 1qjm h GLU 658 CO -0.60 0.31 0.50 1.96 -1.40 0.00 0.00 179.01 179.78 1qjm h GLN 659 N 0.48 0.96 -0.09 2.33 4.20 -0.65 2.04 115.11 124.37 1qjm h GLN 659 Ca 0.50 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.96 1qjm h GLN 659 Cb 0.83 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1qjm h GLN 659 CO -0.45 0.63 -0.73 -0.92 -0.67 0.00 0.00 178.83 176.70 1qjm h TYR 660 N 0.99 0.63 0.04 2.96 3.20 0.41 -3.23 116.97 121.96 1qjm h TYR 660 Ca 0.31 -0.28 -0.35 0.00 3.14 0.00 0.00 58.73 61.55 1qjm h TYR 660 Cb -0.02 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.10 1qjm h TYR 660 CO -0.03 1.04 -2.13 1.28 -1.64 0.00 0.00 178.16 176.68 1qjm n LEU 661 N -3.86 1.69 0.00 2.82 4.77 -0.47 -4.93 117.00 117.01 1qjm n LEU 661 Ca -0.05 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1qjm n LEU 661 Cb 0.71 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1qjm n LEU 661 CO 0.49 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1qjm n GLY 662 N 1.89 -0.58 0.00 -0.72 0.00 0.69 -4.72 105.19 101.75 1qjm n GLY 662 Ca -0.32 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1qjm n GLY 662 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qjm n SER 663 N -0.63 0.00 0.00 1.61 3.41 -1.25 -2.46 113.62 114.31 1qjm n SER 663 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1qjm n SER 663 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1qjm n SER 663 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1qjm n GLU 664 N -2.51 0.00 -0.33 4.33 -0.00 -1.26 0.89 120.64 121.76 1qjm n GLU 664 Ca 0.00 0.42 0.12 0.00 -0.00 0.00 0.00 57.16 57.70 1qjm n GLU 664 Cb 0.00 -0.83 0.25 0.00 -0.00 0.00 0.00 31.44 30.86 1qjm n GLU 664 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1qjm n TYR 665 N -0.94 0.55 0.10 -1.84 9.36 -1.11 0.29 117.16 123.57 1qjm n TYR 665 Ca 0.00 1.16 -0.13 0.00 3.32 0.00 0.00 57.90 62.25 1qjm n TYR 665 Cb 0.00 -1.18 -0.06 0.00 -0.63 0.00 0.00 39.34 37.47 1qjm n TYR 665 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1qjm h VAL 666 N 0.00 0.33 -0.69 2.97 2.07 -1.06 0.69 116.25 120.55 1qjm h VAL 666 Ca 0.55 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.07 1qjm h VAL 666 Cb 1.09 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1qjm h VAL 666 CO -0.92 0.00 0.40 0.74 0.02 0.00 0.00 177.57 177.81 1qjm h THR 667 N -0.51 1.20 -0.33 2.57 2.02 1.11 -0.31 112.91 118.67 1qjm h THR 667 Ca 0.04 -0.47 0.07 0.00 0.77 0.00 0.00 66.41 66.82 1qjm h THR 667 Cb 0.56 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 1qjm h THR 667 CO -0.21 0.22 -0.21 -1.28 0.37 0.00 0.00 175.52 174.41 1qjm h SER 668 N 0.94 -0.69 -0.59 4.18 0.87 0.19 0.14 113.55 118.59 1qjm h SER 668 Ca 0.25 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.92 1qjm h SER 668 Cb -0.01 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1qjm h SER 668 CO -0.04 -0.24 0.24 0.40 -0.53 0.00 0.00 176.83 176.66 1qjm h ILE 669 N -0.17 1.23 0.00 2.23 2.04 0.68 -2.85 117.51 120.66 1qjm h ILE 669 Ca 0.17 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1qjm h ILE 669 Cb 0.43 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1qjm h ILE 669 CO -0.43 0.27 -0.04 0.71 0.00 0.00 0.00 178.15 178.66 1qjm h THR 670 N 0.82 0.11 0.04 -0.27 1.35 0.37 -1.84 112.91 113.49 1qjm h THR 670 Ca 0.20 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qjm h THR 670 Cb 0.19 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1qjm h THR 670 CO -0.02 0.04 -0.02 0.78 -0.25 0.00 0.00 175.52 176.05 1qjm h ASN 671 N 0.00 -0.05 -0.65 5.36 2.35 -0.80 -3.24 115.58 118.56 1qjm h ASN 671 Ca -0.00 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.51 1qjm h ASN 671 Cb 0.51 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1qjm h ASN 671 CO 0.01 0.30 0.43 -0.07 -1.65 0.00 0.00 177.43 176.44 1qjm h LEU 672 N -0.40 0.52 -2.38 1.61 3.38 -1.24 0.89 115.31 117.69 1qjm h LEU 672 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1qjm h LEU 672 Cb 0.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qjm h LEU 672 CO 0.01 0.33 0.10 0.03 0.09 0.00 0.00 178.44 179.00 1qjm h ARG 673 N 0.59 0.00 0.00 1.13 3.08 -1.43 0.81 114.38 118.55 1qjm h ARG 673 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1qjm h ARG 673 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1qjm h ARG 673 CO -0.09 0.00 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.68 1qjm h ARG 674 N 0.00 0.00 0.00 0.04 2.43 -0.92 -2.65 114.38 113.28 1qjm h ARG 674 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1qjm h ARG 674 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1qjm h ARG 674 CO -0.00 0.04 0.00 0.00 -1.51 0.00 0.00 179.97 178.50 1qjm s SER 676 N -1.00 4.09 -0.01 0.00 0.15 -0.54 -5.10 113.70 111.29 1qjm s SER 676 Ca 0.00 -1.17 0.01 0.00 0.70 0.00 0.00 55.95 55.49 1qjm s SER 676 Cb 0.00 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1qjm s SER 676 CO 0.00 -0.39 -0.04 -0.55 1.20 0.00 0.00 173.24 173.47 1qjm s SER 677 N -3.75 0.52 0.24 5.45 0.15 -1.26 -4.01 113.70 111.04 1qjm s SER 677 Ca 0.36 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.98 1qjm s SER 677 Cb 0.05 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1qjm s SER 677 CO 0.19 0.02 0.37 -0.94 1.20 0.00 0.00 173.24 174.09 1qjm s SER 678 N 0.15 6.32 0.06 5.45 1.04 -1.26 -5.04 113.70 120.42 1qjm s SER 678 Ca -0.01 0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.25 1qjm s SER 678 Cb -0.05 -1.88 -0.13 0.00 0.10 0.00 0.00 66.02 64.07 1qjm s SER 678 CO -0.00 -0.08 1.42 1.55 0.98 0.00 0.00 173.24 177.11 1qjm h PRO 679 N 1.18 -0.76 -0.74 4.02 0.13 -2.02 -2.13 132.00 131.68 1qjm h PRO 679 Ca -0.52 0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1qjm h PRO 679 Cb 1.23 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 1qjm h PRO 679 CO 0.61 -0.51 0.37 1.25 -0.23 0.00 0.00 178.00 179.50 1qjm h LEU 680 N -0.79 0.94 -1.24 1.56 6.46 -1.98 0.86 115.31 121.11 1qjm h LEU 680 Ca -0.05 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1qjm h LEU 680 Cb 0.68 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1qjm h LEU 680 CO -0.03 0.78 0.52 0.25 -0.62 0.00 0.00 178.44 179.34 1qjm h LEU 681 N 1.04 0.86 0.08 2.25 5.85 -1.92 -0.28 115.31 123.19 1qjm h LEU 681 Ca 0.26 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1qjm h LEU 681 Cb 0.07 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1qjm h LEU 681 CO -0.04 0.60 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.30 1qjm h GLU 682 N 1.01 -0.10 -0.45 1.25 5.08 -0.24 -1.38 114.58 119.74 1qjm h GLU 682 Ca 0.31 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1qjm h GLU 682 Cb -0.01 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 1qjm h GLU 682 CO -0.08 0.20 -0.50 0.00 -1.00 0.00 0.00 179.01 177.63 1qjm h ALA 683 N 0.49 -0.69 -0.46 3.43 0.00 0.04 0.55 119.26 122.63 1qjm h ALA 683 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1qjm h ALA 683 Cb 0.34 1.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1qjm h ALA 683 CO 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 179.25 178.32 1qjm n ALA 685 N -2.62 0.38 0.11 0.00 0.00 0.19 0.23 120.51 118.80 1qjm n ALA 685 Ca 0.04 0.76 -0.21 0.00 0.00 0.00 0.00 53.44 54.04 1qjm n ALA 685 Cb 0.24 -0.57 -0.15 0.00 0.00 0.00 0.00 19.45 18.98 1qjm n ALA 685 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1qjm h PHE 686 N 0.00 0.70 -0.40 0.00 3.04 -0.72 -3.11 116.94 116.45 1qjm h PHE 686 Ca 0.44 -0.51 -0.02 0.00 3.98 0.00 0.00 57.97 61.86 1qjm h PHE 686 Cb 0.93 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1qjm h PHE 686 CO -0.34 1.48 0.17 -0.07 -2.02 0.00 0.00 178.31 177.52 1qjm h LEU 687 N 0.11 0.54 0.00 0.59 3.38 0.38 -3.29 115.31 117.01 1qjm h LEU 687 Ca -0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1qjm h LEU 687 Cb 2.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1qjm h LEU 687 CO 0.22 0.55 -0.16 0.03 0.09 0.00 0.00 178.44 179.17 1qjm h ARG 688 N 0.50 0.00 0.00 1.13 2.47 -1.48 -3.51 114.38 113.48 1qjm h ARG 688 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1qjm h ARG 688 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1qjm h ARG 688 CO -0.01 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.52