#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cr9 n PRO 2 N 0.00 1.52 -5.02 0.00 -0.02 -1.26 -5.05 135.00 125.17 3cr9 n PRO 2 Ca 0.00 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.75 3cr9 n PRO 2 Cb 0.00 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 30.91 3cr9 n PRO 2 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3cr9 s ARG 3 N -2.67 2.14 0.00 -0.52 6.06 -1.26 -5.15 118.95 117.55 3cr9 s ARG 3 Ca 0.70 -0.74 0.00 0.00 -2.50 0.00 0.00 55.73 53.19 3cr9 s ARG 3 Cb -0.44 -1.82 0.00 0.00 0.06 0.00 0.00 34.95 32.74 3cr9 s ARG 3 CO 0.51 0.30 0.00 1.17 -2.50 0.00 0.00 175.30 174.77 3cr9 n LYS 4 N 3.08 -0.27 -3.98 5.12 3.00 -1.26 -5.04 118.16 118.81 3cr9 n LYS 4 Ca -0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.77 3cr9 n LYS 4 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.49 3cr9 n LYS 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3cr9 s SER 5 N -1.62 6.15 -0.06 3.14 1.04 -1.26 -4.86 113.70 116.23 3cr9 s SER 5 Ca 0.00 0.37 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 3cr9 s SER 5 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 3cr9 s SER 5 CO 0.00 0.37 1.34 -0.69 0.98 0.00 0.00 173.24 175.24 3cr9 s VAL 6 N -1.08 3.97 -0.53 5.02 1.01 -1.14 -4.89 120.40 122.77 3cr9 s VAL 6 Ca 0.18 1.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 3cr9 s VAL 6 Cb -0.12 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.50 3cr9 s VAL 6 CO 0.07 -0.04 0.68 -0.13 0.00 0.00 0.00 175.10 175.68 3cr9 s ARG 7 N 2.79 3.13 0.01 2.72 0.52 -1.26 -1.66 118.95 125.19 3cr9 s ARG 7 Ca 0.61 -0.91 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 3cr9 s ARG 7 Cb -0.28 -4.13 -0.06 0.00 0.52 0.00 0.00 34.95 31.01 3cr9 s ARG 7 CO 0.23 -1.33 0.60 -0.46 0.02 0.00 0.00 175.30 174.36 3cr9 s TRP 8 N 2.82 3.71 -0.27 -0.53 -0.11 0.65 -0.91 118.94 124.30 3cr9 s TRP 8 Ca 0.16 1.22 -0.14 0.00 1.22 0.00 0.00 56.10 58.56 3cr9 s TRP 8 Cb -0.19 -2.60 -0.04 0.00 -1.50 0.00 0.00 33.47 29.14 3cr9 s TRP 8 CO 0.11 0.39 0.34 0.00 -4.62 0.00 0.00 176.95 173.17 3cr9 s THR 10 N 1.96 4.74 -0.52 0.00 -4.23 0.07 -4.82 115.64 112.84 3cr9 s THR 10 Ca 0.13 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.57 3cr9 s THR 10 Cb -0.16 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.07 3cr9 s THR 10 CO 0.10 -0.28 0.43 2.30 -0.54 0.00 0.00 174.62 176.64 3cr9 n ILE 11 N -1.02 0.00 -3.45 2.99 -6.64 -1.25 -1.31 119.36 108.67 3cr9 n ILE 11 Ca -0.08 -0.30 -0.12 0.00 -1.77 0.00 0.00 62.75 60.47 3cr9 n ILE 11 Cb 0.57 1.02 -0.02 0.00 -1.44 0.00 0.00 39.64 39.76 3cr9 n ILE 11 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 3cr9 s SER 12 N -1.78 -0.54 0.27 7.28 1.04 -1.26 -4.29 113.70 114.43 3cr9 s SER 12 Ca 0.04 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 3cr9 s SER 12 Cb 0.07 0.58 0.60 0.00 0.10 0.00 0.00 66.02 67.38 3cr9 s SER 12 CO 0.36 -0.94 1.66 -0.65 0.98 0.00 0.00 173.24 174.64 3cr9 h PRO 13 N 2.09 0.21 -0.64 4.02 0.11 -1.97 0.51 132.00 136.33 3cr9 h PRO 13 Ca -0.34 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.80 3cr9 h PRO 13 Cb 1.30 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3cr9 h PRO 13 CO 0.39 0.14 0.38 0.00 -0.21 0.00 0.00 178.00 178.70 3cr9 h ALA 14 N 1.72 0.83 -0.50 -0.75 0.00 -1.96 -0.33 119.26 118.28 3cr9 h ALA 14 Ca 0.50 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.30 3cr9 h ALA 14 Cb 0.94 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3cr9 h ALA 14 CO -0.61 0.11 -0.05 1.49 0.00 0.00 0.00 179.25 180.19 3cr9 h GLU 15 N 0.74 0.91 0.33 0.00 4.81 -0.52 -2.24 114.58 118.61 3cr9 h GLU 15 Ca 0.26 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3cr9 h GLU 15 Cb 0.06 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3cr9 h GLU 15 CO -0.12 0.97 -0.17 0.00 -0.73 0.00 0.00 179.01 178.95 3cr9 h ALA 16 N 0.92 -0.46 -0.63 2.92 0.00 -0.20 -0.35 119.26 121.45 3cr9 h ALA 16 Ca 0.14 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3cr9 h ALA 16 Cb 0.59 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 3cr9 h ALA 16 CO 0.04 -0.77 -0.33 0.00 0.00 0.00 0.00 179.25 178.19 3cr9 h ALA 17 N 0.20 0.00 -0.50 0.00 0.00 -1.00 0.50 119.26 118.46 3cr9 h ALA 17 Ca -0.04 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3cr9 h ALA 17 Cb 0.37 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3cr9 h ALA 17 CO 0.06 -0.66 0.21 -0.22 0.00 0.00 0.00 179.25 178.64 3cr9 h LYS 18 N -0.14 0.39 -0.62 0.00 3.64 -1.16 -0.23 116.57 118.46 3cr9 h LYS 18 Ca 0.25 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 3cr9 h LYS 18 Cb 0.55 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3cr9 h LYS 18 CO -0.71 0.26 0.34 0.00 -2.27 0.00 0.00 179.45 177.08 3cr9 h ALA 20 N 1.32 0.33 -0.93 0.00 0.00 0.78 0.30 119.26 121.04 3cr9 h ALA 20 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3cr9 h ALA 20 Cb 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3cr9 h ALA 20 CO -0.16 -0.15 0.57 -0.22 0.00 0.00 0.00 179.25 179.29 3cr9 h LYS 21 N 0.31 0.91 -0.10 0.00 3.64 -0.40 0.26 116.57 121.19 3cr9 h LYS 21 Ca 0.09 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3cr9 h LYS 21 Cb 0.05 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3cr9 h LYS 21 CO -0.02 0.61 0.06 0.35 -2.27 0.00 0.00 179.45 178.18 3cr9 h PHE 22 N 0.94 0.13 -0.20 1.91 3.57 0.51 -1.40 116.94 122.41 3cr9 h PHE 22 Ca 0.45 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 3cr9 h PHE 22 Cb 0.40 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3cr9 h PHE 22 CO -0.03 0.13 0.10 0.37 -2.23 0.00 0.00 178.31 176.65 3cr9 h GLN 23 N 0.10 0.29 -0.03 1.11 4.15 0.88 -1.92 115.11 119.68 3cr9 h GLN 23 Ca 0.04 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3cr9 h GLN 23 Cb 0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3cr9 h GLN 23 CO -0.01 0.31 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.01 3cr9 h ARG 24 N 0.20 -0.10 -0.03 1.69 2.43 -0.41 -1.86 114.38 116.30 3cr9 h ARG 24 Ca 0.07 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3cr9 h ARG 24 Cb 0.11 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3cr9 h ARG 24 CO -0.01 -0.06 0.05 -0.91 -1.51 0.00 0.00 179.97 177.53 3cr9 h ASN 25 N -0.10 0.00 -0.12 -3.80 4.21 -1.27 -1.72 115.58 112.79 3cr9 h ASN 25 Ca 0.01 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.44 3cr9 h ASN 25 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3cr9 h ASN 25 CO -0.08 0.00 -0.24 -0.03 -1.29 0.00 0.00 177.43 175.79 3cr9 h MET 26 N 0.00 0.37 -0.13 0.81 4.05 -0.73 -2.53 114.93 116.77 3cr9 h MET 26 Ca 0.01 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.11 3cr9 h MET 26 Cb 0.12 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3cr9 h MET 26 CO -0.00 0.84 -0.30 -0.22 0.23 0.00 0.00 176.91 177.46 3cr9 h LYS 27 N -0.05 0.25 0.00 0.39 3.64 -0.71 -2.24 116.57 117.85 3cr9 h LYS 27 Ca 0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3cr9 h LYS 27 Cb 0.83 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3cr9 h LYS 27 CO 0.05 0.53 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.47 3cr9 h LYS 28 N 0.22 0.00 -0.01 1.90 3.64 -1.26 -1.59 116.57 119.48 3cr9 h LYS 28 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3cr9 h LYS 28 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3cr9 h LYS 28 CO 0.05 0.07 -0.48 0.28 -2.27 0.00 0.00 179.45 177.10 3cr9 n VAL 29 N -3.19 0.00 -3.26 2.00 0.31 -0.89 -4.97 118.33 108.33 3cr9 n VAL 29 Ca 0.01 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 3cr9 n VAL 29 Cb 0.36 0.67 0.04 0.00 -0.91 0.00 0.00 33.84 33.99 3cr9 n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3cr9 n ARG 30 N -0.83 -1.75 -2.94 5.55 1.74 -0.60 -5.03 116.66 112.81 3cr9 n ARG 30 Ca 0.09 1.04 -0.08 0.00 -0.77 0.00 0.00 57.85 58.13 3cr9 n ARG 30 Cb 0.37 -5.44 -0.03 0.00 -1.02 0.00 0.00 32.46 26.34 3cr9 n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cr9 n GLY 31 N -1.50 3.59 3.52 -0.13 0.00 -1.01 -5.04 105.19 104.62 3cr9 n GLY 31 Ca -0.06 -1.79 -0.51 0.00 0.00 0.00 0.00 46.02 43.66 3cr9 n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cr9 n PRO 32 N -0.28 0.63 -2.87 1.61 -0.02 -1.26 -4.63 135.00 128.19 3cr9 n PRO 32 Ca 0.02 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 3cr9 n PRO 32 Cb 0.25 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 3cr9 n PRO 32 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cr9 s SER 33 N -0.20 7.52 0.43 2.55 1.04 -1.26 -4.73 113.70 119.05 3cr9 s SER 33 Ca 0.76 1.79 0.07 0.00 0.48 0.00 0.00 55.95 59.05 3cr9 s SER 33 Cb -0.98 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 62.55 3cr9 s SER 33 CO 0.54 0.18 0.19 -0.69 0.98 0.00 0.00 173.24 174.44 3cr9 s VAL 34 N -1.13 2.17 -0.13 5.02 1.01 -1.26 -2.88 120.40 123.19 3cr9 s VAL 34 Ca 0.38 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.50 3cr9 s VAL 34 Cb -0.24 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.31 3cr9 s VAL 34 CO 0.29 0.00 0.44 -0.55 0.00 0.00 0.00 175.10 175.28 3cr9 s SER 35 N -3.94 -0.43 -0.27 3.32 0.15 -0.67 -4.85 113.70 107.02 3cr9 s SER 35 Ca 0.38 0.74 -0.00 0.00 0.70 0.00 0.00 55.95 57.76 3cr9 s SER 35 Cb 0.03 0.78 0.04 0.00 -1.71 0.00 0.00 66.02 65.16 3cr9 s SER 35 CO 0.21 -0.25 -0.06 0.00 1.20 0.00 0.00 173.24 174.34 3cr9 s ILE 37 N 1.24 5.28 -0.22 0.00 -1.09 -0.25 -4.98 121.20 121.18 3cr9 s ILE 37 Ca -0.04 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 3cr9 s ILE 37 Cb -0.18 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3cr9 s ILE 37 CO -0.04 0.13 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.55 3cr9 s ARG 38 N -2.46 2.25 0.27 2.79 1.81 -1.26 -0.75 118.95 121.59 3cr9 s ARG 38 Ca 0.37 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 3cr9 s ARG 38 Cb -0.13 -2.63 -0.00 0.00 -0.45 0.00 0.00 34.95 31.74 3cr9 s ARG 38 CO 0.25 -0.45 0.01 1.63 -0.68 0.00 0.00 175.30 176.06 3cr9 n LYS 39 N 4.58 1.23 -0.05 3.54 5.02 -0.43 -4.97 118.16 127.09 3cr9 n LYS 39 Ca -0.15 -2.00 0.08 0.00 -2.02 0.00 0.00 58.31 54.22 3cr9 n LYS 39 Cb 0.45 0.62 0.09 0.00 -0.02 0.00 0.00 35.03 36.18 3cr9 n LYS 39 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3cr9 n THR 40 N -0.66 0.18 -3.50 -0.18 -2.24 -1.26 -3.94 114.28 102.68 3cr9 n THR 40 Ca -0.10 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 60.97 3cr9 n THR 40 Cb 0.35 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 3cr9 n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3cr9 s SER 41 N -1.27 -0.47 0.28 3.42 1.04 -1.26 -4.54 113.70 110.90 3cr9 s SER 41 Ca 0.21 0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 3cr9 s SER 41 Cb 0.14 0.46 0.50 0.00 0.10 0.00 0.00 66.02 67.22 3cr9 s SER 41 CO 0.20 -0.67 1.85 0.28 0.98 0.00 0.00 173.24 175.89 3cr9 h SER 42 N 2.27 0.97 -0.87 7.02 0.02 -1.94 0.13 113.55 121.14 3cr9 h SER 42 Ca -0.26 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 3cr9 h SER 42 Cb 1.23 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 3cr9 h SER 42 CO 0.34 0.55 0.57 -0.26 -1.14 0.00 0.00 176.83 176.90 3cr9 h PHE 43 N 1.06 1.02 -0.19 3.45 0.04 -1.95 -1.64 116.94 118.73 3cr9 h PHE 43 Ca 0.47 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 61.12 3cr9 h PHE 43 Cb 0.37 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3cr9 h PHE 43 CO -0.00 0.55 -0.52 1.49 -0.60 0.00 0.00 178.31 179.23 3cr9 h GLU 44 N 1.02 0.54 -0.45 1.51 4.81 -1.18 -2.88 114.58 117.95 3cr9 h GLU 44 Ca 0.37 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3cr9 h GLU 44 Cb 0.15 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3cr9 h GLU 44 CO -0.13 0.93 0.10 0.00 -0.73 0.00 0.00 179.01 179.18 3cr9 h ILE 46 N 0.60 0.38 -0.30 0.00 2.04 -1.23 0.88 117.51 119.88 3cr9 h ILE 46 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 3cr9 h ILE 46 Cb 0.35 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3cr9 h ILE 46 CO 0.00 0.00 0.03 1.56 0.00 0.00 0.00 178.15 179.74 3cr9 h GLN 47 N -0.02 0.50 0.16 2.37 4.20 -1.22 -2.65 115.11 118.46 3cr9 h GLN 47 Ca 0.29 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.87 3cr9 h GLN 47 Cb 0.45 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 3cr9 h GLN 47 CO -0.62 0.62 -0.35 0.00 -0.67 0.00 0.00 178.83 177.81 3cr9 h ALA 48 N 0.86 -0.63 -0.51 3.87 0.00 0.17 -2.55 119.26 120.47 3cr9 h ALA 48 Ca 0.09 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3cr9 h ALA 48 Cb 0.38 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3cr9 h ALA 48 CO 0.01 -0.91 -0.07 0.82 0.00 0.00 0.00 179.25 179.10 3cr9 h ILE 49 N -0.60 0.54 0.00 0.00 1.08 0.71 -1.27 117.51 117.96 3cr9 h ILE 49 Ca 0.02 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3cr9 h ILE 49 Cb 0.62 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3cr9 h ILE 49 CO -0.18 0.01 -0.13 0.00 -0.69 0.00 0.00 178.15 177.16 3cr9 h ALA 50 N 1.49 1.38 -0.46 1.87 0.00 -1.27 -2.03 119.26 120.24 3cr9 h ALA 50 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cr9 h ALA 50 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cr9 h ALA 50 CO -0.48 0.17 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3cr9 n ALA 51 N -2.33 2.72 -1.74 0.00 0.00 -0.61 -4.91 120.51 113.64 3cr9 n ALA 51 Ca -0.02 -0.99 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 3cr9 n ALA 51 Cb 0.23 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 3cr9 n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3cr9 n ASN 52 N 0.80 -5.17 0.05 0.00 4.05 -0.76 -4.85 115.26 109.37 3cr9 n ASN 52 Ca 0.17 0.32 -0.09 0.00 0.45 0.00 0.00 54.58 55.43 3cr9 n ASN 52 Cb 0.55 -4.25 -0.13 0.00 1.23 0.00 0.00 39.78 37.19 3cr9 n ASN 52 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3cr9 h LYS 53 N 0.00 0.04 0.00 1.20 1.57 -1.47 -3.48 116.57 114.43 3cr9 h LYS 53 Ca -0.38 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3cr9 h LYS 53 Cb 1.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3cr9 h LYS 53 CO 0.53 0.92 -0.03 0.00 -0.57 0.00 0.00 179.45 180.30 3cr9 n ALA 54 N -2.43 0.04 0.00 3.86 0.00 -1.21 -4.94 120.51 115.84 3cr9 n ALA 54 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3cr9 n ALA 54 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.52 3cr9 n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cr9 n ASP 55 N -2.72 1.63 -4.08 0.00 8.00 -0.09 -4.49 116.55 114.80 3cr9 n ASP 55 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3cr9 n ASP 55 Cb 0.04 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3cr9 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cr9 s ALA 56 N -1.36 0.53 -0.14 2.24 0.00 -1.07 -4.35 121.76 117.60 3cr9 s ALA 56 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 3cr9 s ALA 56 Cb 0.00 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.41 3cr9 s ALA 56 CO 0.00 -0.30 0.70 0.08 0.00 0.00 0.00 175.76 176.24 3cr9 s VAL 57 N -3.37 0.00 0.04 0.00 1.01 -1.21 -2.19 120.40 114.67 3cr9 s VAL 57 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3cr9 s VAL 57 Cb 0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 3cr9 s VAL 57 CO -0.07 0.00 0.54 -0.89 0.00 0.00 0.00 175.10 174.68 3cr9 s THR 58 N -0.55 4.84 0.01 3.92 2.01 -1.26 -1.43 115.64 123.17 3cr9 s THR 58 Ca -0.06 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.09 3cr9 s THR 58 Cb -0.02 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3cr9 s THR 58 CO 0.06 0.53 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 3cr9 s LEU 59 N -0.87 2.13 0.60 4.42 1.43 0.89 -4.91 118.68 122.38 3cr9 s LEU 59 Ca 0.28 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 3cr9 s LEU 59 Cb -0.19 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 3cr9 s LEU 59 CO 0.17 -0.13 1.05 -0.62 0.23 0.00 0.00 176.35 177.05 3cr9 s ASP 60 N -0.83 5.83 0.35 2.29 2.15 -1.26 0.76 116.67 125.96 3cr9 s ASP 60 Ca -0.07 1.77 0.15 0.00 0.43 0.00 0.00 52.55 54.83 3cr9 s ASP 60 Cb -0.06 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 41.19 3cr9 s ASP 60 CO -0.00 -1.13 1.59 1.23 -0.17 0.00 0.00 175.17 176.69 3cr9 h GLY 61 N 0.35 1.99 1.01 2.66 0.00 -1.76 -0.25 103.07 107.07 3cr9 h GLY 61 Ca -0.46 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 46.78 3cr9 h GLY 61 CO 0.58 -0.68 0.59 -1.33 0.00 0.00 0.00 176.54 175.70 3cr9 h GLY 62 N 0.06 1.28 1.93 4.60 0.00 -1.90 -2.56 103.07 106.48 3cr9 h GLY 62 Ca 0.77 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 47.44 3cr9 h GLY 62 CO -0.77 0.48 -0.85 1.41 0.00 0.00 0.00 176.54 176.80 3cr9 h LEU 63 N 1.23 0.00 -0.82 3.11 3.38 -1.24 -2.95 115.31 118.02 3cr9 h LEU 63 Ca 0.33 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.40 3cr9 h LEU 63 Cb -0.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3cr9 h LEU 63 CO -0.07 0.80 0.46 0.58 0.09 0.00 0.00 178.44 180.30 3cr9 h VAL 64 N 0.00 0.89 0.00 1.22 2.07 -1.15 0.36 116.25 119.64 3cr9 h VAL 64 Ca -0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3cr9 h VAL 64 Cb 1.63 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3cr9 h VAL 64 CO 0.10 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3cr9 n TYR 65 N -4.76 0.00 -0.32 1.57 4.19 -0.99 -1.34 117.16 115.51 3cr9 n TYR 65 Ca 0.14 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.42 3cr9 n TYR 65 Cb 0.29 -0.47 0.27 0.00 0.49 0.00 0.00 39.34 39.92 3cr9 n TYR 65 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3cr9 h GLU 66 N 0.00 0.92 -0.80 2.98 4.39 -1.47 0.10 114.58 120.70 3cr9 h GLU 66 Ca 0.00 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.81 3cr9 h GLU 66 Cb 0.00 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.39 3cr9 h GLU 66 CO 0.00 0.61 0.53 0.00 -1.16 0.00 0.00 179.01 179.00 3cr9 h ALA 67 N 1.54 2.14 0.00 3.43 0.00 0.15 0.25 119.26 126.77 3cr9 h ALA 67 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3cr9 h ALA 67 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cr9 h ALA 67 CO -0.21 -0.37 -0.09 0.41 0.00 0.00 0.00 179.25 178.99 3cr9 n GLY 68 N -1.52 -1.65 3.63 0.00 0.00 0.33 -1.99 105.19 104.00 3cr9 n GLY 68 Ca 0.16 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3cr9 n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cr9 n LEU 69 N -2.20 3.88 0.00 0.99 7.99 0.87 -3.99 117.00 124.54 3cr9 n LEU 69 Ca 0.05 0.85 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 3cr9 n LEU 69 Cb 0.43 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.32 3cr9 n LEU 69 CO 0.31 -1.63 0.16 1.57 -1.51 0.00 0.00 177.39 176.30 3cr9 n HIS 70 N -1.51 0.00 -0.67 -1.77 -0.00 -1.26 -1.62 115.22 108.39 3cr9 n HIS 70 Ca 0.13 0.00 0.51 0.00 -0.00 0.00 0.00 57.72 58.36 3cr9 n HIS 70 Cb 0.46 -0.11 0.80 0.00 -0.00 0.00 0.00 29.99 31.14 3cr9 n HIS 70 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3cr9 h PRO 71 N 0.00 0.00 0.00 1.57 0.13 -1.94 -2.07 132.00 129.68 3cr9 h PRO 71 Ca 0.00 -0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 3cr9 h PRO 71 Cb 0.00 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 3cr9 h PRO 71 CO 0.00 0.00 -2.46 0.66 -0.23 0.00 0.00 178.00 175.97 3cr9 n TYR 72 N -4.10 0.01 -3.34 1.56 4.01 -0.64 -5.04 117.16 109.62 3cr9 n TYR 72 Ca 0.44 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.98 3cr9 n TYR 72 Cb 1.94 -1.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.97 3cr9 n TYR 72 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3cr9 n LYS 73 N -3.15 -1.20 -4.13 -0.72 5.02 -0.68 -4.79 118.16 108.51 3cr9 n LYS 73 Ca -0.43 0.65 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 3cr9 n LYS 73 Cb 1.03 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.39 3cr9 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cr9 s LEU 74 N -3.71 3.70 0.02 -0.35 1.43 -0.84 -2.77 118.68 116.15 3cr9 s LEU 74 Ca 0.06 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3cr9 s LEU 74 Cb -0.01 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3cr9 s LEU 74 CO 0.66 -0.05 -0.04 0.00 0.23 0.00 0.00 176.35 177.15 3cr9 s ARG 75 N -3.82 0.33 -0.21 1.70 1.70 0.28 -4.15 118.95 114.77 3cr9 s ARG 75 Ca 0.33 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.76 3cr9 s ARG 75 Cb -0.07 -0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 3cr9 s ARG 75 CO 0.24 -0.01 1.60 -1.25 -1.08 0.00 0.00 175.30 174.80 3cr9 s PRO 76 N -1.21 3.83 -0.15 3.89 0.04 -1.26 -1.16 135.00 138.98 3cr9 s PRO 76 Ca -0.11 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 3cr9 s PRO 76 Cb -0.08 -4.02 -0.24 0.00 0.04 0.00 0.00 34.50 30.20 3cr9 s PRO 76 CO -0.00 -1.25 0.39 0.28 0.04 0.00 0.00 177.00 176.45 3cr9 h VAL 77 N 6.09 0.91 -3.59 -0.36 2.07 0.36 -3.43 116.25 118.29 3cr9 h VAL 77 Ca -0.33 -2.30 -0.29 0.00 0.82 0.00 0.00 66.70 64.59 3cr9 h VAL 77 Cb 1.15 2.50 -0.32 0.00 -1.52 0.00 0.00 31.29 33.10 3cr9 h VAL 77 CO 1.00 0.61 -0.73 0.00 0.02 0.00 0.00 177.57 178.46 3cr9 s ALA 78 N -2.45 0.14 -0.03 1.67 0.00 -1.12 0.34 121.76 120.31 3cr9 s ALA 78 Ca -0.24 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 3cr9 s ALA 78 Cb 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 3cr9 s ALA 78 CO 0.70 -0.06 0.25 0.00 0.00 0.00 0.00 175.76 176.65 3cr9 s ALA 79 N 0.73 3.84 0.35 0.00 0.00 -0.57 -0.85 121.76 125.25 3cr9 s ALA 79 Ca -0.06 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 3cr9 s ALA 79 Cb -0.09 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 3cr9 s ALA 79 CO -0.02 0.62 1.09 -1.21 0.00 0.00 0.00 175.76 176.24 3cr9 s GLU 80 N -1.43 4.34 -0.06 0.00 2.02 -1.06 -1.74 118.70 120.77 3cr9 s GLU 80 Ca 0.23 1.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.88 3cr9 s GLU 80 Cb -0.13 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 3cr9 s GLU 80 CO 0.12 -0.02 0.02 0.08 0.02 0.00 0.00 175.26 175.48 3cr9 s VAL 81 N -1.42 4.42 0.09 2.63 1.01 -0.18 -4.60 120.40 122.35 3cr9 s VAL 81 Ca 0.52 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3cr9 s VAL 81 Cb -0.27 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3cr9 s VAL 81 CO 0.35 0.53 -0.14 -0.31 0.00 0.00 0.00 175.10 175.53 3cr9 s TYR 82 N -0.97 1.30 -0.05 5.22 2.02 -0.17 -0.80 117.35 123.90 3cr9 s TYR 82 Ca 0.16 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3cr9 s TYR 82 Cb -0.11 -0.71 0.03 0.00 -0.40 0.00 0.00 41.96 40.77 3cr9 s TYR 82 CO 0.05 0.09 0.04 -0.65 -1.57 0.00 0.00 175.55 173.52 3cr9 s GLN 83 N -2.18 0.15 -0.48 -0.62 -0.21 -1.26 0.23 119.66 115.29 3cr9 s GLN 83 Ca 0.03 0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.73 3cr9 s GLN 83 Cb -0.07 -0.69 0.43 0.00 1.00 0.00 0.00 33.01 33.67 3cr9 s GLN 83 CO 0.02 -0.33 1.39 2.41 -2.12 0.00 0.00 175.29 176.66 3cr9 n THR 84 N 5.25 2.76 -2.65 -0.19 -1.04 -1.26 -4.82 114.28 112.33 3cr9 n THR 84 Ca -0.04 -4.37 -0.04 0.00 -2.04 0.00 0.00 64.05 57.56 3cr9 n THR 84 Cb 0.50 -1.21 0.01 0.00 -1.82 0.00 0.00 70.33 67.81 3cr9 n THR 84 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3cr9 n ARG 85 N -0.62 -1.38 0.00 -2.82 3.00 -1.26 -5.04 116.66 108.54 3cr9 n ARG 85 Ca 0.46 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 3cr9 n ARG 85 Cb 0.70 -3.09 0.00 0.00 0.00 0.00 0.00 32.46 30.06 3cr9 n ARG 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3cr9 n GLY 86 N -0.79 5.37 3.70 5.14 0.00 -1.26 -5.07 105.19 112.28 3cr9 n GLY 86 Ca -0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 3cr9 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cr9 s LYS 87 N 2.65 4.42 0.74 1.61 -2.85 -1.26 -4.93 119.74 120.11 3cr9 s LYS 87 Ca 0.00 1.67 -0.16 0.00 -1.00 0.00 0.00 55.97 56.48 3cr9 s LYS 87 Cb 0.00 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.28 3cr9 s LYS 87 CO 0.00 -0.30 0.47 -2.30 0.10 0.00 0.00 175.35 173.32 3cr9 n PRO 88 N 4.43 0.24 -4.21 1.78 -0.02 -1.26 -4.78 135.00 131.18 3cr9 n PRO 88 Ca 0.09 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.57 3cr9 n PRO 88 Cb 0.47 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 3cr9 n PRO 88 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3cr9 s GLN 89 N -2.76 0.94 -0.26 -0.52 -0.21 0.63 -4.87 119.66 112.61 3cr9 s GLN 89 Ca 0.64 -1.38 0.13 0.00 0.02 0.00 0.00 55.36 54.76 3cr9 s GLN 89 Cb -0.34 -0.42 0.66 0.00 1.00 0.00 0.00 33.01 33.90 3cr9 s GLN 89 CO 0.59 0.03 1.63 0.25 -2.12 0.00 0.00 175.29 175.68 3cr9 n THR 90 N -0.09 2.65 -4.17 -0.19 -2.24 -1.26 -1.00 114.28 107.99 3cr9 n THR 90 Ca -0.11 -1.84 -0.10 0.00 -2.27 0.00 0.00 64.05 59.73 3cr9 n THR 90 Cb 0.61 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 3cr9 n THR 90 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3cr9 s ARG 91 N -2.95 0.97 0.07 -0.78 0.52 -1.26 0.34 118.95 115.86 3cr9 s ARG 91 Ca 0.50 -1.46 -0.22 0.00 -0.52 0.00 0.00 55.73 54.02 3cr9 s ARG 91 Cb 0.40 0.14 0.05 0.00 0.52 0.00 0.00 34.95 36.06 3cr9 s ARG 91 CO 0.11 -0.24 0.52 1.52 0.02 0.00 0.00 175.30 177.23 3cr9 s TYR 92 N -3.97 -0.42 -0.11 -0.53 1.13 0.43 -4.77 117.35 109.12 3cr9 s TYR 92 Ca 0.24 0.39 -0.17 0.00 -1.41 0.00 0.00 57.07 56.13 3cr9 s TYR 92 Cb 0.07 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.25 3cr9 s TYR 92 CO 0.02 -0.68 0.43 0.71 -2.51 0.00 0.00 175.55 173.52 3cr9 s TYR 93 N -2.77 3.54 0.01 -3.49 2.02 -1.26 0.02 117.35 115.41 3cr9 s TYR 93 Ca -0.03 0.85 -0.19 0.00 -0.37 0.00 0.00 57.07 57.32 3cr9 s TYR 93 Cb -0.00 -2.47 -0.06 0.00 -0.40 0.00 0.00 41.96 39.03 3cr9 s TYR 93 CO -0.04 0.26 0.54 0.00 -1.57 0.00 0.00 175.55 174.74 3cr9 s ALA 94 N 0.32 3.55 0.25 3.71 0.00 0.10 -2.06 121.76 127.64 3cr9 s ALA 94 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3cr9 s ALA 94 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 3cr9 s ALA 94 CO 0.09 0.27 0.10 0.14 0.00 0.00 0.00 175.76 176.36 3cr9 s VAL 95 N -0.52 0.50 -0.25 0.00 -7.23 0.26 -1.49 120.40 111.67 3cr9 s VAL 95 Ca 0.29 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3cr9 s VAL 95 Cb -0.18 -2.62 0.06 0.00 0.56 0.00 0.00 36.38 34.19 3cr9 s VAL 95 CO 0.16 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.84 3cr9 s ALA 96 N -3.79 2.49 -0.15 1.32 0.00 -1.26 -1.25 121.76 119.12 3cr9 s ALA 96 Ca 0.38 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.56 3cr9 s ALA 96 Cb 0.08 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 3cr9 s ALA 96 CO 0.14 -1.14 0.16 0.08 0.00 0.00 0.00 175.76 174.99 3cr9 s VAL 97 N 1.14 5.44 0.09 0.00 1.01 0.24 -1.28 120.40 127.04 3cr9 s VAL 97 Ca -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3cr9 s VAL 97 Cb -0.19 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3cr9 s VAL 97 CO -0.06 0.53 0.02 0.68 0.00 0.00 0.00 175.10 176.27 3cr9 s VAL 98 N -0.35 0.16 0.33 2.92 -7.23 0.01 0.07 120.40 116.31 3cr9 s VAL 98 Ca 0.12 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 3cr9 s VAL 98 Cb -0.12 -1.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 3cr9 s VAL 98 CO 0.02 -0.72 0.83 -0.54 -0.31 0.00 0.00 175.10 174.38 3cr9 s LYS 99 N -3.98 4.23 0.59 4.82 1.02 -1.26 0.04 119.74 125.20 3cr9 s LYS 99 Ca 0.15 0.97 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 3cr9 s LYS 99 Cb 0.08 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3cr9 s LYS 99 CO -0.04 0.18 1.16 0.15 -0.92 0.00 0.00 175.35 175.88 3cr9 s LYS 100 N -2.65 3.06 0.00 1.68 1.02 -0.97 -3.37 119.74 118.52 3cr9 s LYS 100 Ca 0.53 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.19 3cr9 s LYS 100 Cb -0.13 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3cr9 s LYS 100 CO 0.18 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.93 3cr9 n GLY 101 N 0.20 0.41 0.01 -3.33 0.00 -1.26 -4.91 105.19 96.31 3cr9 n GLY 101 Ca 0.12 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.23 3cr9 n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cr9 n SER 102 N 1.92 0.29 0.00 1.61 3.41 -1.22 -5.01 113.62 114.62 3cr9 n SER 102 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3cr9 n SER 102 Cb 0.09 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 3cr9 n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cr9 n GLY 103 N 1.33 0.92 3.11 5.00 0.00 -1.26 -4.99 105.19 109.30 3cr9 n GLY 103 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3cr9 n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cr9 n PHE 104 N 0.00 -1.37 -4.28 1.61 3.72 -1.26 -5.04 117.46 110.84 3cr9 n PHE 104 Ca 0.00 0.43 -0.15 0.00 -0.05 0.00 0.00 57.45 57.67 3cr9 n PHE 104 Cb 0.00 -1.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.99 3cr9 n PHE 104 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3cr9 s GLN 105 N -2.65 1.37 0.60 -1.08 -1.52 -1.26 -4.98 119.66 110.14 3cr9 s GLN 105 Ca 0.43 -1.74 0.32 0.00 -1.95 0.00 0.00 55.36 52.42 3cr9 s GLN 105 Cb 0.01 -0.07 1.90 0.00 -0.22 0.00 0.00 33.01 34.62 3cr9 s GLN 105 CO 0.63 -0.35 2.27 1.25 -0.25 0.00 0.00 175.29 178.84 3cr9 h LEU 106 N 2.43 0.00 -2.10 2.90 5.85 -1.88 -2.24 115.31 120.28 3cr9 h LEU 106 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3cr9 h LEU 106 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3cr9 h LEU 106 CO 0.57 0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 178.22 3cr9 n ASN 107 N -3.72 3.14 -0.13 1.25 6.94 -1.26 -4.04 115.26 117.44 3cr9 n ASN 107 Ca -0.03 -2.29 0.04 0.00 -0.02 0.00 0.00 54.58 52.28 3cr9 n ASN 107 Cb 0.09 -0.46 0.05 0.00 -2.36 0.00 0.00 39.78 37.10 3cr9 n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cr9 n GLN 108 N 0.58 1.28 0.11 -3.83 6.02 -0.84 -4.81 117.38 115.90 3cr9 n GLN 108 Ca 0.16 -1.63 0.09 0.00 -0.01 0.00 0.00 57.00 55.61 3cr9 n GLN 108 Cb 0.61 -1.00 0.44 0.00 1.02 0.00 0.00 30.24 31.31 3cr9 n GLN 108 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3cr9 n LEU 109 N -0.66 0.45 -4.62 1.08 4.77 -1.26 -4.76 117.00 112.01 3cr9 n LEU 109 Ca 0.06 0.67 -0.51 0.00 -0.03 0.00 0.00 56.01 56.20 3cr9 n LEU 109 Cb 0.52 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3cr9 n LEU 109 CO 0.00 -0.71 1.56 1.67 -1.33 0.00 0.00 177.39 178.58 3cr9 n GLN 110 N -2.06 1.58 -0.46 3.23 -0.06 -1.26 -0.61 117.38 117.74 3cr9 n GLN 110 Ca 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 3cr9 n GLN 110 Cb 0.09 -2.48 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 3cr9 n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3cr9 n GLY 111 N 5.05 0.75 3.91 1.69 0.00 -0.38 -5.00 105.19 111.21 3cr9 n GLY 111 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 3cr9 n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cr9 s VAL 112 N -2.46 4.53 0.01 1.61 1.01 0.22 -4.13 120.40 121.19 3cr9 s VAL 112 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 3cr9 s VAL 112 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3cr9 s VAL 112 CO 0.00 -0.74 0.49 -0.54 0.00 0.00 0.00 175.10 174.31 3cr9 s LYS 113 N -4.82 4.11 0.03 2.72 1.02 -1.26 -1.52 119.74 120.02 3cr9 s LYS 113 Ca 0.49 0.56 0.03 0.00 0.02 0.00 0.00 55.97 57.07 3cr9 s LYS 113 Cb -0.10 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 3cr9 s LYS 113 CO 0.45 0.57 -0.08 -1.54 -0.92 0.00 0.00 175.35 173.83 3cr9 s SER 114 N -0.78 0.94 -0.22 2.83 1.04 -0.67 -0.76 113.70 116.09 3cr9 s SER 114 Ca 0.27 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 3cr9 s SER 114 Cb -0.18 -0.02 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 3cr9 s SER 114 CO 0.15 -0.09 -0.06 0.00 0.98 0.00 0.00 173.24 174.22 3cr9 s HIS 116 N 1.44 2.89 0.02 0.00 3.76 -0.72 -2.26 115.29 120.43 3cr9 s HIS 116 Ca 0.05 -0.08 0.24 0.00 -0.15 0.00 0.00 55.06 55.12 3cr9 s HIS 116 Cb -0.14 -1.49 0.80 0.00 1.11 0.00 0.00 32.58 32.85 3cr9 s HIS 116 CO -0.04 0.46 1.77 1.79 -0.85 0.00 0.00 174.74 177.87 3cr9 h THR 117 N 2.97 0.45 0.00 1.30 1.35 -1.73 -3.40 112.91 113.85 3cr9 h THR 117 Ca -0.48 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3cr9 h THR 117 Cb 1.17 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3cr9 h THR 117 CO 0.57 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3cr9 n GLY 118 N 0.40 3.53 3.71 5.82 0.00 -1.26 -1.10 105.19 116.28 3cr9 n GLY 118 Ca 0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3cr9 n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cr9 s LEU 119 N 0.00 4.36 0.00 0.99 2.96 -0.43 -3.15 118.68 123.41 3cr9 s LEU 119 Ca 0.00 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3cr9 s LEU 119 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3cr9 s LEU 119 CO 0.00 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 3cr9 n GLY 120 N 3.49 3.25 3.78 7.98 0.00 -1.26 -4.99 105.19 117.43 3cr9 n GLY 120 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3cr9 n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cr9 s ARG 121 N -0.52 3.55 0.00 1.61 0.52 -1.19 -4.26 118.95 118.66 3cr9 s ARG 121 Ca 0.00 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 3cr9 s ARG 121 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3cr9 s ARG 121 CO 0.00 -0.68 0.69 0.43 0.02 0.00 0.00 175.30 175.76 3cr9 n SER 122 N -1.07 0.00 -0.19 0.23 7.64 -1.26 -0.52 113.62 118.46 3cr9 n SER 122 Ca 0.10 0.69 -0.04 0.00 1.01 0.00 0.00 58.87 60.63 3cr9 n SER 122 Cb 0.51 -0.19 0.15 0.00 -1.01 0.00 0.00 64.21 63.67 3cr9 n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cr9 h ALA 123 N -1.81 1.15 0.00 -0.43 0.00 -1.92 -1.93 119.26 114.32 3cr9 h ALA 123 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3cr9 h ALA 123 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3cr9 h ALA 123 CO 0.00 0.59 -0.07 0.78 0.00 0.00 0.00 179.25 180.55 3cr9 h GLY 124 N 1.04 0.00 0.00 0.00 0.00 -1.70 -3.40 103.07 99.01 3cr9 h GLY 124 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3cr9 h GLY 124 CO -0.01 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.40 3cr9 n TRP 125 N -2.51 -0.31 -0.36 5.60 -0.00 0.33 -4.19 117.44 115.99 3cr9 n TRP 125 Ca 0.05 0.00 0.27 0.00 -0.00 0.00 0.00 57.50 57.82 3cr9 n TRP 125 Cb 0.46 0.40 0.53 0.00 -0.00 0.00 0.00 31.31 32.70 3cr9 n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3cr9 h ASN 126 N 0.00 0.42 0.04 5.87 2.35 -1.11 -0.80 115.58 122.36 3cr9 h ASN 126 Ca 0.00 0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.66 3cr9 h ASN 126 Cb 0.00 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3cr9 h ASN 126 CO 0.00 -0.07 -1.21 0.40 -1.65 0.00 0.00 177.43 174.90 3cr9 h ILE 127 N 0.29 1.03 -0.05 2.81 2.04 -1.57 -3.07 117.51 118.99 3cr9 h ILE 127 Ca 0.71 -2.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3cr9 h ILE 127 Cb 1.86 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 40.48 3cr9 h ILE 127 CO -0.45 0.52 0.01 1.55 0.00 0.00 0.00 178.15 179.78 3cr9 h PRO 128 N -0.70 0.08 -0.63 2.37 0.13 -1.70 -2.00 132.00 129.55 3cr9 h PRO 128 Ca -0.30 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.90 3cr9 h PRO 128 Cb 1.46 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.54 3cr9 h PRO 128 CO -0.08 0.30 0.42 0.82 -0.23 0.00 0.00 178.00 179.23 3cr9 h ILE 129 N -0.15 0.92 0.00 -3.56 1.08 -1.34 0.29 117.51 114.74 3cr9 h ILE 129 Ca 0.02 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.26 3cr9 h ILE 129 Cb 0.26 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3cr9 h ILE 129 CO 0.00 0.09 -0.28 1.23 -0.69 0.00 0.00 178.15 178.50 3cr9 h GLY 130 N 0.48 0.00 1.68 5.37 0.00 -1.41 -1.73 103.07 107.47 3cr9 h GLY 130 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.38 3cr9 h GLY 130 CO -0.09 0.00 -1.06 -0.84 0.00 0.00 0.00 176.54 174.55 3cr9 h THR 131 N 0.00 1.50 -0.21 4.70 2.02 0.23 -3.28 112.91 117.87 3cr9 h THR 131 Ca -0.00 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3cr9 h THR 131 Cb 0.93 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 3cr9 h THR 131 CO 0.04 0.83 0.00 0.18 0.37 0.00 0.00 175.52 176.94 3cr9 n LEU 132 N -3.60 2.59 -0.34 2.58 4.77 0.01 -4.44 117.00 118.56 3cr9 n LEU 132 Ca -0.06 -1.04 0.08 0.00 -0.03 0.00 0.00 56.01 54.96 3cr9 n LEU 132 Cb 0.92 -0.13 0.25 0.00 -2.33 0.00 0.00 43.42 42.12 3cr9 n LEU 132 CO 0.51 0.52 1.19 -0.09 -1.33 0.00 0.00 177.39 178.20 3cr9 h ARG 133 N 3.56 0.84 0.00 3.23 2.43 -1.38 0.17 114.38 123.24 3cr9 h ARG 133 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3cr9 h ARG 133 Cb 0.78 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3cr9 h ARG 133 CO 0.00 0.55 0.01 -1.35 -1.51 0.00 0.00 179.97 177.67 3cr9 h PRO 134 N 0.86 0.00 -0.00 0.20 0.11 -1.84 -1.85 132.00 129.48 3cr9 h PRO 134 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3cr9 h PRO 134 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3cr9 h PRO 134 CO -0.31 0.00 -0.48 0.66 -0.21 0.00 0.00 178.00 177.66 3cr9 n TYR 135 N -2.58 0.00 0.17 0.65 4.02 0.56 -4.44 117.16 115.55 3cr9 n TYR 135 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.90 3cr9 n TYR 135 Cb 0.05 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 39.66 3cr9 n TYR 135 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3cr9 h LEU 136 N 0.56 0.00 -2.97 7.72 3.38 -0.79 -3.47 115.31 119.75 3cr9 h LEU 136 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3cr9 h LEU 136 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.14 3cr9 h LEU 136 CO 0.00 0.46 -0.57 0.59 0.09 0.00 0.00 178.44 179.00 3cr9 n ASN 137 N -3.71 -6.35 -4.38 -0.43 5.03 -1.25 -4.97 115.26 99.20 3cr9 n ASN 137 Ca -0.01 -0.57 -0.33 0.00 0.87 0.00 0.00 54.58 54.54 3cr9 n ASN 137 Cb 0.53 -3.82 -0.14 0.00 -1.02 0.00 0.00 39.78 35.32 3cr9 n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3cr9 s TRP 138 N -3.12 2.79 0.11 3.10 -0.00 -1.26 -5.05 118.94 115.51 3cr9 s TRP 138 Ca 0.13 -0.59 -0.34 0.00 -0.00 0.00 0.00 56.10 55.30 3cr9 s TRP 138 Cb -0.04 -1.81 -0.14 0.00 -0.00 0.00 0.00 33.47 31.48 3cr9 s TRP 138 CO 0.82 -0.16 1.56 1.15 -0.00 0.00 0.00 176.95 180.31 3cr9 h THR 139 N 5.27 0.02 0.00 5.86 2.02 -1.94 -3.49 112.91 120.66 3cr9 h THR 139 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3cr9 h THR 139 Cb 1.21 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3cr9 h THR 139 CO 0.55 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.05 3cr9 n GLY 140 N -1.48 0.48 0.16 2.16 0.00 -1.26 -4.68 105.19 100.57 3cr9 n GLY 140 Ca -0.08 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 3cr9 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cr9 n PRO 141 N -0.94 -0.11 -0.29 1.61 -0.04 -1.26 -0.60 135.00 133.37 3cr9 n PRO 141 Ca 0.00 0.61 0.25 0.00 -0.04 0.00 0.00 63.50 64.32 3cr9 n PRO 141 Cb 0.00 -0.91 0.46 0.00 -0.04 0.00 0.00 33.50 33.01 3cr9 n PRO 141 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3cr9 n PRO 142 N -4.57 -0.06 -3.38 0.54 -0.02 -1.26 -3.14 135.00 123.11 3cr9 n PRO 142 Ca 0.03 1.25 -0.41 0.00 -2.02 0.00 0.00 63.50 62.35 3cr9 n PRO 142 Cb 0.15 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 3cr9 n PRO 142 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3cr9 s GLU 143 N -5.46 3.58 0.18 -0.52 2.12 0.23 -5.04 118.70 113.79 3cr9 s GLU 143 Ca -0.09 -0.37 -0.33 0.00 0.36 0.00 0.00 54.97 54.54 3cr9 s GLU 143 Cb 0.29 -3.80 -0.15 0.00 0.26 0.00 0.00 34.13 30.73 3cr9 s GLU 143 CO 0.69 -0.54 1.36 -2.30 -0.54 0.00 0.00 175.26 173.94 3cr9 n PRO 144 N 5.43 1.69 -0.25 4.30 -0.02 -1.19 -4.50 135.00 140.47 3cr9 n PRO 144 Ca -0.08 0.60 -0.05 0.00 -2.02 0.00 0.00 63.50 61.95 3cr9 n PRO 144 Cb 0.49 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3cr9 n PRO 144 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cr9 h LEU 145 N 4.35 0.82 -1.52 2.45 5.85 -1.89 -1.09 115.31 124.27 3cr9 h LEU 145 Ca -0.45 -0.04 0.29 0.00 0.84 0.00 0.00 57.88 58.51 3cr9 h LEU 145 Cb 1.30 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 3cr9 h LEU 145 CO 0.77 0.62 0.71 1.56 -0.34 0.00 0.00 178.44 181.76 3cr9 h GLN 146 N 0.94 0.28 -0.04 1.25 4.20 -2.01 0.20 115.11 119.94 3cr9 h GLN 146 Ca 0.25 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 3cr9 h GLN 146 Cb -0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3cr9 h GLN 146 CO -0.05 0.19 -0.26 0.87 -0.67 0.00 0.00 178.83 178.90 3cr9 h LYS 147 N 0.29 0.07 0.05 1.46 1.57 -1.55 -2.54 116.57 115.92 3cr9 h LYS 147 Ca 0.59 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.35 3cr9 h LYS 147 Cb 1.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.00 3cr9 h LYS 147 CO -0.23 0.33 -0.03 0.00 -0.57 0.00 0.00 179.45 178.95 3cr9 h ALA 148 N 1.68 -0.07 -0.97 3.86 0.00 -0.64 -3.08 119.26 120.03 3cr9 h ALA 148 Ca 0.01 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.22 3cr9 h ALA 148 Cb 0.50 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 3cr9 h ALA 148 CO 0.04 -0.07 0.39 0.28 0.00 0.00 0.00 179.25 179.89 3cr9 h VAL 149 N -1.00 0.19 -0.67 0.00 2.07 -1.55 1.15 116.25 116.44 3cr9 h VAL 149 Ca -0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3cr9 h VAL 149 Cb 0.05 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3cr9 h VAL 149 CO 0.01 0.03 0.44 0.00 0.02 0.00 0.00 177.57 178.07 3cr9 h ALA 150 N 1.89 1.54 0.00 1.67 0.00 -1.53 -1.31 119.26 121.52 3cr9 h ALA 150 Ca 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3cr9 h ALA 150 Cb 1.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3cr9 h ALA 150 CO -0.71 0.42 -0.48 -0.91 0.00 0.00 0.00 179.25 177.57 3cr9 h ASN 151 N 0.88 0.00 0.04 0.00 2.35 0.13 -3.36 115.58 115.62 3cr9 h ASN 151 Ca 0.25 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3cr9 h ASN 151 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3cr9 h ASN 151 CO -0.06 0.05 -0.02 0.15 -1.65 0.00 0.00 177.43 175.91 3cr9 h PHE 152 N 0.00 -0.05 -3.06 1.19 3.04 -0.20 -3.46 116.94 114.40 3cr9 h PHE 152 Ca -0.01 -0.00 -0.61 0.00 3.98 0.00 0.00 57.97 61.33 3cr9 h PHE 152 Cb 1.05 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.49 3cr9 h PHE 152 CO 0.00 0.59 -0.33 -0.06 -2.02 0.00 0.00 178.31 176.50 3cr9 s PHE 153 N -2.73 3.57 0.45 0.41 0.08 -0.55 -1.25 117.98 117.96 3cr9 s PHE 153 Ca -0.14 0.69 0.22 0.00 0.12 0.00 0.00 56.93 57.82 3cr9 s PHE 153 Cb -0.01 -2.23 1.22 0.00 -0.57 0.00 0.00 43.02 41.42 3cr9 s PHE 153 CO 0.54 0.47 1.85 0.77 -0.10 0.00 0.00 175.22 178.75 3cr9 h SER 154 N 5.74 0.28 -3.68 1.36 0.02 -1.43 -3.43 113.55 112.41 3cr9 h SER 154 Ca -0.47 0.04 0.25 0.00 -0.84 0.00 0.00 61.79 60.76 3cr9 h SER 154 Cb 1.19 -0.01 -0.24 0.00 0.14 0.00 0.00 62.40 63.48 3cr9 h SER 154 CO 0.68 0.10 0.88 0.00 -1.14 0.00 0.00 176.83 177.34 3cr9 s ALA 155 N -5.29 -2.10 0.28 3.77 0.00 -1.26 -5.01 121.76 112.14 3cr9 s ALA 155 Ca -0.07 1.79 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 3cr9 s ALA 155 Cb 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3cr9 s ALA 155 CO 0.78 -0.40 0.49 -1.12 0.00 0.00 0.00 175.76 175.52 3cr9 s SER 156 N -1.51 0.15 -0.38 0.00 0.01 -0.11 -1.66 113.70 110.19 3cr9 s SER 156 Ca 0.08 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.27 3cr9 s SER 156 Cb -0.01 0.62 0.13 0.00 0.21 0.00 0.00 66.02 66.97 3cr9 s SER 156 CO -0.05 -1.21 0.19 0.00 0.41 0.00 0.00 173.24 172.58 3cr9 s VAL 158 N 0.87 3.72 0.69 0.00 1.01 0.45 -1.75 120.40 125.39 3cr9 s VAL 158 Ca 0.15 -3.16 -0.17 0.00 0.00 0.00 0.00 61.98 58.81 3cr9 s VAL 158 Cb -0.22 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 3cr9 s VAL 158 CO -0.07 -0.91 0.33 -2.65 0.00 0.00 0.00 175.10 171.79 3cr9 n PRO 159 N 3.24 0.26 -1.09 2.72 -0.02 -1.26 -2.09 135.00 136.77 3cr9 n PRO 159 Ca 0.10 0.12 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 3cr9 n PRO 159 Cb 0.37 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 3cr9 n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cr9 s ALA 161 N -1.72 3.76 -0.86 0.00 0.00 -0.89 -4.80 121.76 117.25 3cr9 s ALA 161 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 3cr9 s ALA 161 Cb 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 23.12 20.90 3cr9 s ALA 161 CO 0.00 0.46 2.18 -0.51 0.00 0.00 0.00 175.76 177.88 3cr9 s ASP 162 N -2.93 4.47 0.00 0.00 1.01 -1.26 -4.72 116.67 113.24 3cr9 s ASP 162 Ca 0.41 -0.36 0.09 0.00 0.71 0.00 0.00 52.55 53.40 3cr9 s ASP 162 Cb -0.11 -2.56 0.40 0.00 1.01 0.00 0.00 42.92 41.67 3cr9 s ASP 162 CO 0.28 -3.37 1.30 0.61 0.21 0.00 0.00 175.17 174.19 3cr9 n GLY 163 N 6.79 -0.82 0.06 0.21 0.00 -1.26 -0.83 105.19 109.33 3cr9 n GLY 163 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.40 3cr9 n GLY 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cr9 h LYS 164 N 0.00 -0.02 0.00 1.61 1.57 -1.96 -2.65 116.57 115.12 3cr9 h LYS 164 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3cr9 h LYS 164 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3cr9 h LYS 164 CO 0.00 0.12 -0.50 1.96 -0.57 0.00 0.00 179.45 180.46 3cr9 h GLN 165 N -1.00 0.00 -2.06 3.15 4.20 -1.95 -3.38 115.11 114.07 3cr9 h GLN 165 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.18 3cr9 h GLN 165 Cb 0.14 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.52 3cr9 h GLN 165 CO 0.00 0.31 -1.05 0.66 -0.67 0.00 0.00 178.83 178.08 3cr9 n TYR 166 N -3.12 0.85 0.20 2.96 4.01 -0.01 -4.95 117.16 117.09 3cr9 n TYR 166 Ca 0.01 -3.80 0.18 0.00 -0.16 0.00 0.00 57.90 54.13 3cr9 n TYR 166 Cb 0.68 -0.42 0.83 0.00 -0.31 0.00 0.00 39.34 40.11 3cr9 n TYR 166 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3cr9 h PRO 167 N 3.34 0.00 -0.34 -0.72 0.13 -1.58 -0.62 132.00 132.21 3cr9 h PRO 167 Ca 0.10 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.26 3cr9 h PRO 167 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3cr9 h PRO 167 CO 0.56 0.00 0.23 -0.97 -0.23 0.00 0.00 178.00 177.59 3cr9 h ASN 168 N 0.00 0.31 1.22 1.44 -1.24 -1.91 0.16 115.58 115.57 3cr9 h ASN 168 Ca 0.10 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 3cr9 h ASN 168 Cb 0.62 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 3cr9 h ASN 168 CO -0.00 0.22 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.17 3cr9 h LEU 169 N 0.37 0.00 0.00 0.34 3.38 -1.33 -0.27 115.31 117.80 3cr9 h LEU 169 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3cr9 h LEU 169 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3cr9 h LEU 169 CO -0.03 0.12 -1.47 0.00 0.09 0.00 0.00 178.44 177.15 3cr9 h ARG 171 N 0.00 0.01 0.00 0.00 2.43 -0.62 0.80 114.38 117.00 3cr9 h ARG 171 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3cr9 h ARG 171 Cb 0.56 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3cr9 h ARG 171 CO 0.00 0.01 0.00 -0.07 -1.51 0.00 0.00 179.97 178.40 3cr9 h LEU 172 N 0.01 0.00 -9.36 3.80 3.38 -1.55 -3.46 115.31 108.13 3cr9 h LEU 172 Ca 0.55 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.94 3cr9 h LEU 172 Cb 1.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.83 3cr9 h LEU 172 CO -0.93 0.00 1.07 0.00 0.09 0.00 0.00 178.44 178.67 3cr9 s ALA 174 N 3.39 3.62 0.00 0.00 0.00 -1.26 -4.69 121.76 122.82 3cr9 s ALA 174 Ca 0.88 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3cr9 s ALA 174 Cb -0.62 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3cr9 s ALA 174 CO 0.46 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.89 3cr9 n GLY 175 N 2.56 1.46 0.00 0.00 0.00 -1.26 -3.45 105.19 104.50 3cr9 n GLY 175 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3cr9 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cr9 n THR 176 N -0.23 0.00 0.00 2.61 -2.24 -1.26 -4.06 114.28 109.10 3cr9 n THR 176 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cr9 n THR 176 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3cr9 n THR 176 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cr9 n GLU 177 N 0.00 0.00 0.00 -0.78 -0.58 -1.26 -2.44 120.64 115.58 3cr9 n GLU 177 Ca 0.00 0.19 0.13 0.00 -0.42 0.00 0.00 57.16 57.06 3cr9 n GLU 177 Cb 0.00 -0.72 0.39 0.00 -0.57 0.00 0.00 31.44 30.54 3cr9 n GLU 177 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cr9 n ALA 178 N -2.10 3.09 0.23 0.62 0.00 -1.26 -3.70 120.51 117.40 3cr9 n ALA 178 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.16 3cr9 n ALA 178 Cb 0.00 -1.15 0.49 0.00 0.00 0.00 0.00 19.45 18.79 3cr9 n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cr9 h ASP 179 N 1.01 0.00 -2.58 0.00 5.19 -1.86 -3.43 116.42 114.75 3cr9 h ASP 179 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 3cr9 h ASP 179 Cb 0.49 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.09 3cr9 h ASP 179 CO 0.00 0.22 0.49 1.17 -3.12 0.00 0.00 179.24 178.00 3cr9 n LYS 180 N -3.43 1.80 -1.71 3.56 4.81 -1.02 -1.52 118.16 120.65 3cr9 n LYS 180 Ca -0.00 0.64 -0.20 0.00 -0.87 0.00 0.00 58.31 57.88 3cr9 n LYS 180 Cb 0.41 -2.23 -0.07 0.00 0.02 0.00 0.00 35.03 33.15 3cr9 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cr9 s ALA 182 N -2.73 2.67 -0.48 0.00 0.00 -0.57 -2.71 121.76 117.94 3cr9 s ALA 182 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3cr9 s ALA 182 Cb 0.00 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.83 3cr9 s ALA 182 CO 0.00 -1.20 1.03 0.00 0.00 0.00 0.00 175.76 175.59 3cr9 s SER 184 N 0.07 1.87 0.00 0.00 1.04 -1.26 -4.54 113.70 110.88 3cr9 s SER 184 Ca 0.15 -1.78 0.00 0.00 0.48 0.00 0.00 55.95 54.80 3cr9 s SER 184 Cb 0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3cr9 s SER 184 CO 0.04 -1.07 0.40 -0.24 0.98 0.00 0.00 173.24 173.35 3cr9 n SER 185 N -1.63 0.42 0.10 7.02 2.88 -1.26 -1.64 113.62 119.51 3cr9 n SER 185 Ca 0.07 -1.23 -0.19 0.00 -1.33 0.00 0.00 58.87 56.19 3cr9 n SER 185 Cb 0.62 -0.21 -0.15 0.00 -0.75 0.00 0.00 64.21 63.73 3cr9 n SER 185 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3cr9 h GLN 186 N 0.26 0.34 -6.49 -1.46 1.08 -1.91 -3.40 115.11 103.54 3cr9 h GLN 186 Ca 0.00 -0.58 -0.57 0.00 -1.45 0.00 0.00 58.65 56.05 3cr9 h GLN 186 Cb 0.21 0.22 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 3cr9 h GLN 186 CO 0.00 1.25 0.83 -2.00 -0.95 0.00 0.00 178.83 177.96 3cr9 s GLU 187 N -2.63 3.78 0.48 1.46 2.56 -0.65 -4.85 118.70 118.85 3cr9 s GLU 187 Ca -0.07 0.61 0.26 0.00 0.00 0.00 0.00 54.97 55.77 3cr9 s GLU 187 Cb 0.06 -3.87 1.42 0.00 2.00 0.00 0.00 34.13 33.75 3cr9 s GLU 187 CO 0.89 -1.22 1.77 -1.35 -0.56 0.00 0.00 175.26 174.79 3cr9 h PRO 188 N 8.90 0.00 -0.64 4.30 0.11 -1.78 -2.12 132.00 140.78 3cr9 h PRO 188 Ca -0.23 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.69 3cr9 h PRO 188 Cb 1.06 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.06 3cr9 h PRO 188 CO 1.08 0.00 0.21 0.66 -0.21 0.00 0.00 178.00 179.74 3cr9 n TYR 189 N -2.52 2.12 -3.39 0.65 4.01 -1.26 -4.44 117.16 112.33 3cr9 n TYR 189 Ca -0.02 -1.23 -0.37 0.00 -0.16 0.00 0.00 57.90 56.12 3cr9 n TYR 189 Cb 0.20 -0.63 -0.06 0.00 -0.31 0.00 0.00 39.34 38.54 3cr9 n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3cr9 s PHE 190 N -3.02 3.72 0.00 -0.72 2.19 -0.80 -3.15 117.98 116.20 3cr9 s PHE 190 Ca 0.52 1.10 0.00 0.00 0.33 0.00 0.00 56.93 58.89 3cr9 s PHE 190 Cb 0.43 -2.38 0.00 0.00 -1.31 0.00 0.00 43.02 39.76 3cr9 s PHE 190 CO 0.11 0.56 0.00 0.41 1.83 0.00 0.00 175.22 178.13 3cr9 n GLY 191 N 1.46 -0.27 0.12 13.12 0.00 -0.26 -3.27 105.19 116.09 3cr9 n GLY 191 Ca -0.10 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 3cr9 n GLY 191 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3cr9 h TYR 192 N 0.00 0.09 -0.04 1.61 0.05 -1.93 -0.31 116.97 116.43 3cr9 h TYR 192 Ca 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.62 3cr9 h TYR 192 Cb 0.00 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3cr9 h TYR 192 CO 0.00 0.02 -0.76 0.77 -1.05 0.00 0.00 178.16 177.15 3cr9 h SER 193 N 0.15 0.31 -0.05 3.88 0.02 -1.93 -2.45 113.55 113.49 3cr9 h SER 193 Ca 0.11 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3cr9 h SER 193 Cb 0.11 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3cr9 h SER 193 CO -0.15 0.96 -0.01 1.23 -1.14 0.00 0.00 176.83 177.72 3cr9 h GLY 194 N 1.59 0.04 1.79 -3.77 0.00 -1.44 -1.02 103.07 100.25 3cr9 h GLY 194 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3cr9 h GLY 194 CO 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 176.54 176.72 3cr9 h ALA 195 N 1.04 1.77 -0.31 3.60 0.00 -1.01 -1.48 119.26 122.87 3cr9 h ALA 195 Ca 0.02 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3cr9 h ALA 195 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cr9 h ALA 195 CO -0.04 0.19 -0.46 0.35 0.00 0.00 0.00 179.25 179.29 3cr9 h PHE 196 N 0.27 1.05 -0.40 0.00 3.57 -0.86 -2.75 116.94 117.83 3cr9 h PHE 196 Ca 0.07 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.16 3cr9 h PHE 196 Cb 0.06 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3cr9 h PHE 196 CO 0.00 1.17 0.04 0.87 -2.23 0.00 0.00 178.31 178.16 3cr9 h LYS 197 N 0.63 0.67 -0.58 1.11 6.56 -0.71 -0.06 116.57 124.20 3cr9 h LYS 197 Ca 0.03 -0.19 0.17 0.00 -1.06 0.00 0.00 60.65 59.59 3cr9 h LYS 197 Cb 1.06 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 3cr9 h LYS 197 CO 0.11 0.74 0.47 0.00 -2.06 0.00 0.00 179.45 178.70 3cr9 h LEU 199 N 0.00 0.00 -1.74 0.00 5.85 -1.00 -1.28 115.31 117.14 3cr9 h LEU 199 Ca 0.27 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3cr9 h LEU 199 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3cr9 h LEU 199 CO -0.00 0.67 0.23 -0.08 -0.34 0.00 0.00 178.44 178.91 3cr9 h GLU 200 N -1.00 0.34 0.00 1.25 4.81 -0.13 0.12 114.58 119.97 3cr9 h GLU 200 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3cr9 h GLU 200 Cb 0.31 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3cr9 h GLU 200 CO -0.01 0.22 0.00 0.09 -0.73 0.00 0.00 179.01 178.59 3cr9 n ASN 201 N -4.49 0.00 -0.06 1.04 5.03 0.21 -4.90 115.26 112.10 3cr9 n ASN 201 Ca 0.03 -0.45 -0.01 0.00 0.87 0.00 0.00 54.58 55.02 3cr9 n ASN 201 Cb 0.15 -0.14 -0.00 0.00 -1.02 0.00 0.00 39.78 38.77 3cr9 n ASN 201 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3cr9 n GLY 202 N 0.75 0.46 0.10 7.41 0.00 0.41 -4.94 105.19 109.38 3cr9 n GLY 202 Ca 0.16 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 3cr9 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cr9 h ALA 203 N 0.00 0.10 -1.98 4.61 0.00 -1.51 -3.47 119.26 117.01 3cr9 h ALA 203 Ca -0.02 -0.89 -0.51 0.00 0.00 0.00 0.00 54.91 53.49 3cr9 h ALA 203 Cb 0.06 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 3cr9 h ALA 203 CO 0.02 0.98 -0.63 0.20 0.00 0.00 0.00 179.25 179.81 3cr9 s GLY 204 N -4.66 2.06 -0.01 0.00 0.00 -0.57 -4.81 107.32 99.32 3cr9 s GLY 204 Ca -0.04 -2.04 0.17 0.00 0.00 0.00 0.00 44.72 42.80 3cr9 s GLY 204 CO 0.88 -1.88 0.52 1.22 0.00 0.00 0.00 173.10 173.84 3cr9 n ASP 205 N -0.70 0.97 -3.76 1.64 8.00 0.06 -4.64 116.55 118.11 3cr9 n ASP 205 Ca -0.04 -0.39 -0.14 0.00 0.71 0.00 0.00 54.79 54.93 3cr9 n ASP 205 Cb 0.65 1.43 -0.14 0.00 -0.02 0.00 0.00 41.12 43.04 3cr9 n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cr9 s VAL 206 N -2.90 -0.04 -0.16 2.53 0.11 -1.19 -4.30 120.40 114.44 3cr9 s VAL 206 Ca -0.01 0.16 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3cr9 s VAL 206 Cb 0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 3cr9 s VAL 206 CO 0.69 0.06 0.03 0.00 -3.33 0.00 0.00 175.10 172.56 3cr9 s ALA 207 N 1.00 3.30 -0.51 1.54 0.00 0.11 -1.28 121.76 125.92 3cr9 s ALA 207 Ca -0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3cr9 s ALA 207 Cb -0.10 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.38 3cr9 s ALA 207 CO -0.05 0.26 0.41 -0.06 0.00 0.00 0.00 175.76 176.32 3cr9 s PHE 208 N 0.15 3.39 0.00 0.00 0.08 -0.96 0.79 117.98 121.44 3cr9 s PHE 208 Ca 0.03 -1.73 0.00 0.00 0.12 0.00 0.00 56.93 55.35 3cr9 s PHE 208 Cb -0.13 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3cr9 s PHE 208 CO 0.01 -1.00 0.00 1.33 -0.10 0.00 0.00 175.22 175.46 3cr9 n VAL 209 N 4.93 0.00 -3.02 -0.44 0.24 -0.38 -4.06 118.33 115.61 3cr9 n VAL 209 Ca -0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 3cr9 n VAL 209 Cb 0.41 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.78 3cr9 n VAL 209 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3cr9 s LYS 210 N 1.31 3.21 0.32 7.34 2.20 -1.26 -0.57 119.74 132.29 3cr9 s LYS 210 Ca 0.00 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 3cr9 s LYS 210 Cb 0.00 -2.55 0.55 0.00 -1.51 0.00 0.00 37.83 34.32 3cr9 s LYS 210 CO 0.00 -0.18 1.86 0.38 -0.36 0.00 0.00 175.35 177.05 3cr9 h ASP 211 N 0.44 0.57 0.52 1.43 3.04 -1.78 -3.23 116.42 117.41 3cr9 h ASP 211 Ca -0.47 -0.10 -0.29 0.00 -3.24 0.00 0.00 57.03 52.93 3cr9 h ASP 211 Cb 1.24 -0.15 0.01 0.00 -1.04 0.00 0.00 39.33 39.39 3cr9 h ASP 211 CO 0.59 0.61 -1.29 0.77 -2.04 0.00 0.00 179.24 177.89 3cr9 h SER 212 N 0.59 0.55 -0.83 4.15 4.64 -1.96 -3.39 113.55 117.29 3cr9 h SER 212 Ca 0.13 -0.57 0.35 0.00 -0.47 0.00 0.00 61.79 61.22 3cr9 h SER 212 Cb 0.31 -0.18 -0.15 0.00 -0.31 0.00 0.00 62.40 62.08 3cr9 h SER 212 CO 0.01 1.44 0.45 0.41 -0.87 0.00 0.00 176.83 178.27 3cr9 n THR 213 N -3.60 -0.34 -0.03 2.95 -1.04 -1.22 0.05 114.28 111.05 3cr9 n THR 213 Ca -0.11 1.68 -0.12 0.00 -2.04 0.00 0.00 64.05 63.46 3cr9 n THR 213 Cb 1.03 -2.73 -0.07 0.00 -1.82 0.00 0.00 70.33 66.74 3cr9 n THR 213 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3cr9 h VAL 214 N 0.00 1.26 0.00 12.58 2.07 -1.79 -2.86 116.25 127.52 3cr9 h VAL 214 Ca 0.70 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3cr9 h VAL 214 Cb 1.87 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 3cr9 h VAL 214 CO -0.63 0.24 -0.19 -0.26 0.02 0.00 0.00 177.57 176.74 3cr9 h PHE 215 N -0.13 0.00 -0.10 1.57 -1.00 -0.62 -0.74 116.94 115.92 3cr9 h PHE 215 Ca 0.02 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.65 3cr9 h PHE 215 Cb 0.37 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 3cr9 h PHE 215 CO 0.04 0.19 -0.59 0.93 -1.61 0.00 0.00 178.31 177.27 3cr9 h GLU 216 N 0.00 0.34 0.00 1.51 5.08 -0.87 -3.30 114.58 117.33 3cr9 h GLU 216 Ca -0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3cr9 h GLU 216 Cb 0.42 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3cr9 h GLU 216 CO 0.02 0.83 -1.94 0.09 -1.00 0.00 0.00 179.01 177.01 3cr9 n ASN 217 N -3.90 0.11 -3.75 1.42 3.02 -1.09 -4.71 115.26 106.36 3cr9 n ASN 217 Ca -0.03 0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 3cr9 n ASN 217 Cb 0.61 1.65 -0.12 0.00 -0.61 0.00 0.00 39.78 41.31 3cr9 n ASN 217 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cr9 s LEU 218 N -4.78 3.31 0.00 3.41 1.43 -0.30 -4.95 118.68 116.80 3cr9 s LEU 218 Ca -0.07 -3.07 0.12 0.00 -1.03 0.00 0.00 54.13 50.07 3cr9 s LEU 218 Cb 0.12 -1.20 0.66 0.00 0.03 0.00 0.00 46.19 45.80 3cr9 s LEU 218 CO 0.88 -0.20 1.18 -2.65 0.23 0.00 0.00 176.35 175.80 3cr9 n PRO 219 N 2.97 0.29 -4.17 1.29 -0.02 -1.25 -4.55 135.00 129.56 3cr9 n PRO 219 Ca 0.14 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 3cr9 n PRO 219 Cb 0.36 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.18 3cr9 n PRO 219 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3cr9 s ASP 220 N -2.21 2.96 0.56 2.55 1.01 -1.26 -5.01 116.67 115.26 3cr9 s ASP 220 Ca 0.15 -0.58 0.43 0.00 0.71 0.00 0.00 52.55 53.25 3cr9 s ASP 220 Cb 0.08 -1.36 1.61 0.00 1.01 0.00 0.00 42.92 44.26 3cr9 s ASP 220 CO 0.15 -0.01 1.68 -0.08 0.21 0.00 0.00 175.17 177.12 3cr9 h GLU 221 N 7.87 0.00 -0.45 8.23 4.81 -2.00 0.83 114.58 133.87 3cr9 h GLU 221 Ca -0.41 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 3cr9 h GLU 221 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3cr9 h GLU 221 CO 0.59 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.67 3cr9 h ALA 222 N 1.18 0.80 0.04 2.92 0.00 -1.95 -2.74 119.26 119.51 3cr9 h ALA 222 Ca 0.73 -0.37 -0.24 0.00 0.00 0.00 0.00 54.91 55.03 3cr9 h ALA 222 Cb 2.99 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 20.59 3cr9 h ALA 222 CO -0.01 0.65 -1.13 0.93 0.00 0.00 0.00 179.25 179.69 3cr9 h GLU 223 N 0.78 0.08 0.00 0.00 4.39 -1.21 -3.24 114.58 115.39 3cr9 h GLU 223 Ca 0.11 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3cr9 h GLU 223 Cb 0.74 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3cr9 h GLU 223 CO 0.06 1.02 -0.36 0.00 -1.16 0.00 0.00 179.01 178.57 3cr9 h ARG 224 N 0.02 0.00 0.00 2.33 3.08 -1.50 -2.28 114.38 116.02 3cr9 h ARG 224 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3cr9 h ARG 224 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 3cr9 h ARG 224 CO 0.15 0.36 0.00 -0.25 -1.07 0.00 0.00 179.97 179.15 3cr9 n ASP 225 N -3.87 0.00 -0.45 7.04 9.92 -1.04 -0.41 116.55 127.74 3cr9 n ASP 225 Ca -0.01 -0.02 0.14 0.00 -0.53 0.00 0.00 54.79 54.37 3cr9 n ASP 225 Cb 0.43 -0.19 0.48 0.00 -0.64 0.00 0.00 41.12 41.20 3cr9 n ASP 225 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3cr9 n LYS 226 N -1.19 1.53 -4.29 -1.24 5.02 -0.86 -4.90 118.16 112.23 3cr9 n LYS 226 Ca 0.06 -0.91 -0.17 0.00 -2.02 0.00 0.00 58.31 55.27 3cr9 n LYS 226 Cb 0.06 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.49 3cr9 n LYS 226 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3cr9 s TYR 227 N -2.10 1.50 0.33 2.13 1.51 0.45 -2.29 117.35 118.87 3cr9 s TYR 227 Ca 0.35 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3cr9 s TYR 227 Cb 0.21 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 3cr9 s TYR 227 CO 0.37 0.22 0.23 -1.21 -1.11 0.00 0.00 175.55 174.05 3cr9 s GLU 228 N -3.38 1.71 -0.02 -0.62 2.02 0.11 -4.27 118.70 114.24 3cr9 s GLU 228 Ca 0.17 -1.99 0.07 0.00 0.02 0.00 0.00 54.97 53.24 3cr9 s GLU 228 Cb -0.01 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 3cr9 s GLU 228 CO 0.04 -0.58 -0.24 -0.51 0.02 0.00 0.00 175.26 173.99 3cr9 s LEU 229 N -3.38 2.04 -0.33 1.80 1.43 0.00 -0.81 118.68 119.43 3cr9 s LEU 229 Ca 0.38 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 3cr9 s LEU 229 Cb 0.03 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 45.01 3cr9 s LEU 229 CO 0.23 0.29 0.61 -0.76 0.23 0.00 0.00 176.35 176.94 3cr9 s LEU 230 N -0.51 4.21 0.32 1.79 1.43 -0.40 -1.97 118.68 123.55 3cr9 s LEU 230 Ca 0.08 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 3cr9 s LEU 230 Cb -0.10 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 3cr9 s LEU 230 CO -0.00 -0.51 0.75 0.00 0.23 0.00 0.00 176.35 176.81 3cr9 n PRO 232 N -0.33 0.17 -1.32 0.00 -0.04 -1.26 -1.63 135.00 130.58 3cr9 n PRO 232 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 3cr9 n PRO 232 Cb 0.53 -1.35 0.12 0.00 -0.04 0.00 0.00 33.50 32.75 3cr9 n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3cr9 n ASP 233 N -0.85 4.04 -4.02 3.54 5.75 -1.26 -4.96 116.55 118.79 3cr9 n ASP 233 Ca 0.03 -3.79 -0.30 0.00 -0.01 0.00 0.00 54.79 50.71 3cr9 n ASP 233 Cb 0.01 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.54 3cr9 n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3cr9 n ASN 234 N -0.94 -2.75 -4.08 -1.12 3.02 -0.65 -4.98 115.26 103.76 3cr9 n ASN 234 Ca 0.40 -0.93 -0.16 0.00 -0.03 0.00 0.00 54.58 53.86 3cr9 n ASN 234 Cb 0.92 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 36.74 3cr9 n ASN 234 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3cr9 s THR 235 N -3.50 0.26 -0.09 3.41 -1.32 -1.25 -4.83 115.64 108.32 3cr9 s THR 235 Ca 0.46 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 3cr9 s THR 235 Cb -0.24 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 3cr9 s THR 235 CO 0.88 0.00 -0.18 -0.13 -2.21 0.00 0.00 174.62 172.98 3cr9 s ARG 236 N -3.94 2.36 0.17 7.08 0.52 -1.26 -1.17 118.95 122.71 3cr9 s ARG 236 Ca 0.38 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 55.03 3cr9 s ARG 236 Cb 0.06 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 3cr9 s ARG 236 CO 0.16 0.07 -0.17 0.15 0.02 0.00 0.00 175.30 175.53 3cr9 s LYS 237 N 0.59 1.26 0.82 3.54 1.02 -0.83 -4.93 119.74 121.21 3cr9 s LYS 237 Ca -0.15 -1.41 -0.14 0.00 0.02 0.00 0.00 55.97 54.28 3cr9 s LYS 237 Cb -0.17 -1.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 3cr9 s LYS 237 CO 0.05 0.25 0.59 -0.35 -0.92 0.00 0.00 175.35 174.97 3cr9 n PRO 238 N 0.23 0.07 0.29 -1.68 -0.04 -1.26 -0.82 135.00 131.79 3cr9 n PRO 238 Ca -0.13 0.07 0.16 0.00 -0.04 0.00 0.00 63.50 63.57 3cr9 n PRO 238 Cb 0.57 -1.94 0.91 0.00 -0.04 0.00 0.00 33.50 33.00 3cr9 n PRO 238 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3cr9 h VAL 239 N -0.90 0.36 -0.29 0.52 -1.51 -1.88 -0.93 116.25 111.62 3cr9 h VAL 239 Ca -0.45 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3cr9 h VAL 239 Cb 1.32 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3cr9 h VAL 239 CO 0.40 0.04 0.00 -0.90 -1.23 0.00 0.00 177.57 175.88 3cr9 n ASP 240 N -3.51 3.09 -1.05 4.19 5.68 -1.26 -3.76 116.55 119.93 3cr9 n ASP 240 Ca -0.02 -2.38 0.08 0.00 -0.50 0.00 0.00 54.79 51.97 3cr9 n ASP 240 Cb 0.16 -0.54 0.27 0.00 -1.14 0.00 0.00 41.12 39.87 3cr9 n ASP 240 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cr9 n ALA 241 N 0.34 3.01 -0.03 2.12 0.00 -0.35 -4.63 120.51 120.96 3cr9 n ALA 241 Ca 0.13 -2.03 0.24 0.00 0.00 0.00 0.00 53.44 51.78 3cr9 n ALA 241 Cb 0.65 -0.75 0.72 0.00 0.00 0.00 0.00 19.45 20.07 3cr9 n ALA 241 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3cr9 h PHE 242 N 2.32 0.00 0.00 0.00 -0.00 -1.75 0.58 116.94 118.09 3cr9 h PHE 242 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 3cr9 h PHE 242 Cb 1.42 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.36 3cr9 h PHE 242 CO 0.56 0.00 -0.08 1.57 -0.00 0.00 0.00 178.31 180.36 3cr9 h LYS 243 N 0.00 0.00 0.00 6.09 -0.00 -1.92 -3.15 116.57 117.58 3cr9 h LYS 243 Ca 0.30 0.00 -0.31 0.00 -0.00 0.00 0.00 60.65 60.64 3cr9 h LYS 243 Cb 1.34 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.52 3cr9 h LYS 243 CO -0.00 0.08 -2.17 0.39 -0.00 0.00 0.00 179.45 177.75 3cr9 n GLU 244 N -4.02 0.75 -3.22 0.07 4.71 0.17 -4.76 120.64 114.35 3cr9 n GLU 244 Ca -0.03 0.09 -0.41 0.00 -0.01 0.00 0.00 57.16 56.80 3cr9 n GLU 244 Cb 0.17 -1.42 -0.01 0.00 -1.01 0.00 0.00 31.44 29.17 3cr9 n GLU 244 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cr9 s HIS 246 N -2.18 1.73 -0.08 0.00 -3.43 -1.22 -4.49 115.29 105.63 3cr9 s HIS 246 Ca 0.31 -0.41 0.14 0.00 -0.80 0.00 0.00 55.06 54.30 3cr9 s HIS 246 Cb 0.00 -0.97 -0.10 0.00 -1.43 0.00 0.00 32.58 30.09 3cr9 s HIS 246 CO 0.01 0.17 1.08 -0.07 -2.00 0.00 0.00 174.74 173.94 3cr9 h LEU 247 N 4.23 0.00 -7.21 5.38 3.38 -1.59 -3.40 115.31 116.11 3cr9 h LEU 247 Ca -0.45 0.00 0.34 0.00 0.09 0.00 0.00 57.88 57.86 3cr9 h LEU 247 Cb 1.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 3cr9 h LEU 247 CO 0.40 0.69 0.86 0.00 0.09 0.00 0.00 178.44 180.48 3cr9 s ALA 248 N -2.85 -2.29 -0.28 1.53 0.00 -1.23 -5.01 121.76 111.63 3cr9 s ALA 248 Ca -0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3cr9 s ALA 248 Cb 0.08 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.63 3cr9 s ALA 248 CO 0.79 -1.06 0.00 0.50 0.00 0.00 0.00 175.76 176.00 3cr9 s ARG 249 N -2.35 1.39 0.36 0.00 3.52 -1.26 0.01 118.95 120.62 3cr9 s ARG 249 Ca 0.15 -1.23 0.07 0.00 -0.13 0.00 0.00 55.73 54.59 3cr9 s ARG 249 Cb 0.05 -2.61 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 3cr9 s ARG 249 CO -0.04 -0.77 0.47 0.14 -0.81 0.00 0.00 175.30 174.29 3cr9 s VAL 250 N 1.32 3.71 0.41 7.11 -7.23 0.10 -4.86 120.40 120.96 3cr9 s VAL 250 Ca 0.02 -1.06 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 3cr9 s VAL 250 Cb -0.19 -3.27 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 3cr9 s VAL 250 CO -0.11 -0.12 0.97 -2.16 -0.31 0.00 0.00 175.10 173.37 3cr9 s PRO 251 N -4.19 4.27 1.25 4.82 0.04 -1.26 -0.43 135.00 139.50 3cr9 s PRO 251 Ca 0.47 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 3cr9 s PRO 251 Cb -0.09 -2.36 0.29 0.00 0.04 0.00 0.00 34.50 32.38 3cr9 s PRO 251 CO 0.31 -0.00 0.79 0.43 0.04 0.00 0.00 177.00 178.56 3cr9 n SER 252 N -0.33 -2.61 -4.74 6.66 7.64 0.15 -4.37 113.62 116.02 3cr9 n SER 252 Ca 0.06 -0.38 -0.29 0.00 1.01 0.00 0.00 58.87 59.27 3cr9 n SER 252 Cb 0.52 -1.12 0.14 0.00 -1.01 0.00 0.00 64.21 62.75 3cr9 n SER 252 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3cr9 s HIS 253 N -2.28 2.42 -0.01 1.43 3.76 -1.26 -4.29 115.29 115.06 3cr9 s HIS 253 Ca 0.65 1.03 -0.26 0.00 -0.15 0.00 0.00 55.06 56.32 3cr9 s HIS 253 Cb -0.19 -3.26 0.06 0.00 1.11 0.00 0.00 32.58 30.30 3cr9 s HIS 253 CO 0.62 -2.42 0.59 0.00 -0.85 0.00 0.00 174.74 172.68 3cr9 s ALA 254 N -3.10 -1.52 -0.14 -1.40 0.00 0.23 -2.55 121.76 113.29 3cr9 s ALA 254 Ca 0.64 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 53.26 3cr9 s ALA 254 Cb -0.16 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3cr9 s ALA 254 CO 0.55 -0.42 0.95 0.08 0.00 0.00 0.00 175.76 176.93 3cr9 s VAL 255 N -1.71 4.81 0.18 0.00 1.01 -0.03 -0.07 120.40 124.58 3cr9 s VAL 255 Ca -0.09 1.91 0.08 0.00 0.00 0.00 0.00 61.98 63.88 3cr9 s VAL 255 Cb -0.01 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3cr9 s VAL 255 CO 0.05 -0.01 -0.07 0.68 0.00 0.00 0.00 175.10 175.75 3cr9 s VAL 256 N 2.17 3.35 0.27 2.92 -7.23 -0.52 0.10 120.40 121.46 3cr9 s VAL 256 Ca 0.45 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 3cr9 s VAL 256 Cb -0.17 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 3cr9 s VAL 256 CO 0.15 -0.10 0.36 0.00 -0.31 0.00 0.00 175.10 175.19 3cr9 s ALA 257 N -1.70 0.62 0.69 1.32 0.00 -0.31 -3.36 121.76 119.02 3cr9 s ALA 257 Ca 0.26 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 3cr9 s ALA 257 Cb -0.09 1.22 0.01 0.00 0.00 0.00 0.00 23.12 24.27 3cr9 s ALA 257 CO 0.16 -0.74 1.22 1.03 0.00 0.00 0.00 175.76 177.43 3cr9 s ARG 258 N -3.75 2.39 0.19 0.00 0.52 -1.26 -0.56 118.95 116.47 3cr9 s ARG 258 Ca 0.31 1.82 0.02 0.00 -0.52 0.00 0.00 55.73 57.36 3cr9 s ARG 258 Cb 0.02 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.71 3cr9 s ARG 258 CO 0.14 -1.66 1.44 0.77 0.02 0.00 0.00 175.30 176.01 3cr9 h SER 259 N 0.09 0.31 -3.20 0.23 0.02 -1.82 -3.34 113.55 105.83 3cr9 h SER 259 Ca -0.49 -0.22 -0.66 0.00 -0.84 0.00 0.00 61.79 59.58 3cr9 h SER 259 Cb 1.30 -0.09 -0.34 0.00 0.14 0.00 0.00 62.40 63.41 3cr9 h SER 259 CO 0.51 0.97 -0.86 -0.69 -1.14 0.00 0.00 176.83 175.62 3cr9 s VAL 260 N -3.43 1.97 -1.08 2.27 1.01 -1.26 -4.74 120.40 115.13 3cr9 s VAL 260 Ca -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3cr9 s VAL 260 Cb 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3cr9 s VAL 260 CO 0.82 0.53 0.91 0.47 0.00 0.00 0.00 175.10 177.84 3cr9 n ASP 261 N 4.12 -2.87 -0.18 3.32 9.92 -1.26 -4.92 116.55 124.68 3cr9 n ASP 261 Ca -0.20 -0.53 0.11 0.00 -0.53 0.00 0.00 54.79 53.64 3cr9 n ASP 261 Cb 0.51 -4.55 0.07 0.00 -0.64 0.00 0.00 41.12 36.52 3cr9 n ASP 261 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cr9 n GLY 262 N -1.27 -0.70 2.76 0.44 0.00 -1.25 -4.87 105.19 100.30 3cr9 n GLY 262 Ca -0.20 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 3cr9 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cr9 n ARG 263 N -0.95 -4.78 -0.34 1.61 1.74 -1.26 -4.62 116.66 108.07 3cr9 n ARG 263 Ca 0.07 0.50 0.16 0.00 -0.77 0.00 0.00 57.85 57.81 3cr9 n ARG 263 Cb 0.37 -4.55 0.35 0.00 -1.02 0.00 0.00 32.46 27.62 3cr9 n ARG 263 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3cr9 h GLU 264 N -1.62 0.57 -0.41 5.56 5.08 -1.93 0.21 114.58 122.04 3cr9 h GLU 264 Ca -0.34 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3cr9 h GLU 264 Cb 1.22 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3cr9 h GLU 264 CO 0.34 0.38 0.22 0.38 -1.00 0.00 0.00 179.01 179.33 3cr9 h ASP 265 N 0.59 0.35 -0.18 1.42 3.04 -2.00 -0.56 116.42 119.07 3cr9 h ASP 265 Ca 0.61 0.01 0.01 0.00 -3.24 0.00 0.00 57.03 54.42 3cr9 h ASP 265 Cb 1.12 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 39.33 3cr9 h ASP 265 CO -0.46 0.25 0.09 -0.07 -2.04 0.00 0.00 179.24 177.00 3cr9 h LEU 266 N 0.45 0.13 -0.93 0.15 4.07 -0.99 -2.30 115.31 115.88 3cr9 h LEU 266 Ca 0.17 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.14 3cr9 h LEU 266 Cb 0.04 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 3cr9 h LEU 266 CO -0.10 0.10 0.61 0.40 -1.08 0.00 0.00 178.44 178.38 3cr9 h ILE 267 N 0.19 1.24 -0.47 1.22 2.04 -0.96 -2.36 117.51 118.42 3cr9 h ILE 267 Ca 0.07 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.36 3cr9 h ILE 267 Cb 0.02 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 3cr9 h ILE 267 CO -0.05 0.24 -0.21 -0.25 0.00 0.00 0.00 178.15 177.87 3cr9 h TRP 268 N 1.27 1.08 -0.57 1.37 2.91 -0.84 -2.17 115.95 119.00 3cr9 h TRP 268 Ca 0.34 -0.25 -0.04 0.00 1.13 0.00 0.00 58.89 60.07 3cr9 h TRP 268 Cb -0.14 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.23 3cr9 h TRP 268 CO -0.00 1.06 0.22 0.87 -1.03 0.00 0.00 178.44 179.55 3cr9 h LYS 269 N 0.82 0.86 0.39 2.65 1.57 -1.20 0.12 116.57 121.77 3cr9 h LYS 269 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3cr9 h LYS 269 Cb 0.77 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3cr9 h LYS 269 CO 0.06 0.75 -0.38 1.25 -0.57 0.00 0.00 179.45 180.56 3cr9 h LEU 270 N 0.78 -1.03 -1.60 2.94 5.85 -1.35 -0.67 115.31 120.23 3cr9 h LEU 270 Ca 0.19 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3cr9 h LEU 270 Cb 0.22 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3cr9 h LEU 270 CO -0.01 -0.53 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.28 3cr9 h LEU 271 N -0.79 0.00 -0.54 2.25 3.38 -1.14 0.89 115.31 119.35 3cr9 h LEU 271 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3cr9 h LEU 271 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3cr9 h LEU 271 CO -0.06 0.20 -0.57 -0.74 0.09 0.00 0.00 178.44 177.37 3cr9 h HIS 272 N 0.00 0.61 -0.22 1.13 2.76 -0.42 -1.94 115.15 117.07 3cr9 h HIS 272 Ca -0.00 -0.22 -0.20 0.00 -2.20 0.00 0.00 60.37 57.74 3cr9 h HIS 272 Cb 0.36 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.21 3cr9 h HIS 272 CO 0.00 0.94 -0.65 0.00 -1.30 0.00 0.00 177.93 176.92 3cr9 h ARG 273 N 0.37 0.84 0.25 5.26 2.47 -0.48 -2.96 114.38 120.13 3cr9 h ARG 273 Ca 0.00 -0.60 -0.01 0.00 -1.26 0.00 0.00 59.98 58.11 3cr9 h ARG 273 Cb 1.10 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3cr9 h ARG 273 CO 0.10 1.22 -0.12 0.00 0.56 0.00 0.00 179.97 181.73 3cr9 h ALA 274 N 0.62 -0.33 0.04 0.04 0.00 -0.67 0.14 119.26 119.09 3cr9 h ALA 274 Ca -0.02 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cr9 h ALA 274 Cb 1.27 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3cr9 h ALA 274 CO 0.14 -0.68 -0.16 1.96 0.00 0.00 0.00 179.25 180.52 3cr9 h GLN 275 N -0.36 -0.27 -0.92 0.00 4.20 -1.44 0.96 115.11 117.29 3cr9 h GLN 275 Ca -0.03 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.86 3cr9 h GLN 275 Cb 0.27 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.01 3cr9 h GLN 275 CO 0.06 -0.18 0.51 1.49 -0.67 0.00 0.00 178.83 180.03 3cr9 h GLU 276 N -0.28 0.66 0.02 1.46 4.81 -1.38 0.45 114.58 120.31 3cr9 h GLU 276 Ca 0.04 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 3cr9 h GLU 276 Cb 0.32 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 3cr9 h GLU 276 CO -0.12 0.44 -2.00 -1.91 -0.73 0.00 0.00 179.01 174.68 3cr9 n GLU 277 N -4.83 0.67 0.00 1.92 4.07 0.48 -4.65 120.64 118.30 3cr9 n GLU 277 Ca 0.20 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 3cr9 n GLU 277 Cb 0.49 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 3cr9 n GLU 277 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3cr9 n PHE 278 N -3.05 0.00 0.00 4.31 3.72 0.33 -3.73 117.46 119.04 3cr9 n PHE 278 Ca -0.26 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 3cr9 n PHE 278 Cb 1.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3cr9 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cr9 n GLY 279 N -0.20 -2.39 3.62 1.37 0.00 0.16 -2.11 105.19 105.64 3cr9 n GLY 279 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3cr9 n GLY 279 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cr9 s ARG 280 N 0.00 3.79 0.00 1.61 0.52 -1.26 -3.39 118.95 120.22 3cr9 s ARG 280 Ca 0.00 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 3cr9 s ARG 280 Cb 0.00 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.51 3cr9 s ARG 280 CO 0.00 -1.29 0.00 -1.71 0.02 0.00 0.00 175.30 172.32 3cr9 n ASN 281 N 8.19 -3.75 0.15 0.23 5.15 -1.26 -4.85 115.26 119.11 3cr9 n ASN 281 Ca 0.16 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.01 3cr9 n ASN 281 Cb 0.46 -2.89 -0.08 0.00 -0.53 0.00 0.00 39.78 36.75 3cr9 n ASN 281 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3cr9 h LYS 282 N 0.16 -0.34 -5.56 1.20 1.79 -1.84 -3.46 116.57 108.53 3cr9 h LYS 282 Ca 0.00 0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 3cr9 h LYS 282 Cb 0.59 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.24 3cr9 h LYS 282 CO 0.00 -0.11 -0.38 0.45 -1.08 0.00 0.00 179.45 178.33 3cr9 s SER 283 N -5.02 4.41 0.00 0.86 0.15 -1.24 -4.99 113.70 107.87 3cr9 s SER 283 Ca -0.15 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.02 3cr9 s SER 283 Cb 0.04 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 3cr9 s SER 283 CO 0.61 -1.07 0.00 -1.54 1.20 0.00 0.00 173.24 172.45 3cr9 n SER 284 N -1.59 2.51 0.19 5.45 3.41 -1.26 -4.76 113.62 117.57 3cr9 n SER 284 Ca -0.11 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.54 3cr9 n SER 284 Cb 0.66 0.35 0.44 0.00 -0.26 0.00 0.00 64.21 65.40 3cr9 n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cr9 h ALA 285 N 0.00 1.58 -1.98 7.33 0.00 -1.96 -3.44 119.26 120.79 3cr9 h ALA 285 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3cr9 h ALA 285 Cb 0.31 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.84 3cr9 h ALA 285 CO 0.00 0.31 0.15 0.12 0.00 0.00 0.00 179.25 179.83 3cr9 s PHE 286 N -4.54 -0.77 -0.16 0.00 5.36 -1.26 -5.06 117.98 111.56 3cr9 s PHE 286 Ca -0.04 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.80 3cr9 s PHE 286 Cb 0.15 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3cr9 s PHE 286 CO 0.71 -0.38 -0.17 -0.65 -1.46 0.00 0.00 175.22 173.27 3cr9 s GLN 287 N 0.31 2.65 0.01 10.12 -0.21 -1.26 -4.59 119.66 126.69 3cr9 s GLN 287 Ca -0.00 -0.70 -0.20 0.00 0.02 0.00 0.00 55.36 54.48 3cr9 s GLN 287 Cb -0.05 -2.31 -0.20 0.00 1.00 0.00 0.00 33.01 31.44 3cr9 s GLN 287 CO 0.01 -0.19 1.16 1.25 -2.12 0.00 0.00 175.29 175.40 3cr9 h LEU 288 N 7.89 0.47 -3.84 2.90 5.85 -1.68 -3.33 115.31 123.56 3cr9 h LEU 288 Ca -0.40 -0.68 -0.50 0.00 0.84 0.00 0.00 57.88 57.13 3cr9 h LEU 288 Cb 1.15 -0.14 -0.21 0.00 0.37 0.00 0.00 40.66 41.83 3cr9 h LEU 288 CO 0.57 1.08 0.63 0.49 -0.34 0.00 0.00 178.44 180.87 3cr9 n PHE 289 N -4.34 2.27 -3.87 1.25 3.72 -1.26 -4.83 117.46 110.40 3cr9 n PHE 289 Ca -0.09 -2.40 -0.11 0.00 -0.05 0.00 0.00 57.45 54.80 3cr9 n PHE 289 Cb 0.56 -1.20 -0.11 0.00 -0.94 0.00 0.00 39.48 37.80 3cr9 n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cr9 s GLY 290 N -0.64 0.03 0.34 1.37 0.00 -1.25 0.30 107.32 107.47 3cr9 s GLY 290 Ca 0.47 -0.05 0.07 0.00 0.00 0.00 0.00 44.72 45.21 3cr9 s GLY 290 CO -0.05 -0.16 0.26 1.44 0.00 0.00 0.00 173.10 174.59 3cr9 n SER 291 N 1.88 -0.42 -4.80 1.64 7.64 -1.26 -4.90 113.62 113.39 3cr9 n SER 291 Ca -0.20 -3.18 -0.33 0.00 1.01 0.00 0.00 58.87 56.17 3cr9 n SER 291 Cb 0.56 1.57 0.01 0.00 -1.01 0.00 0.00 64.21 65.35 3cr9 n SER 291 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cr9 s THR 292 N -3.31 3.80 0.20 0.44 -4.23 -1.24 -4.98 115.64 106.31 3cr9 s THR 292 Ca 0.37 0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 61.63 3cr9 s THR 292 Cb 0.02 -3.37 0.12 0.00 1.34 0.00 0.00 72.50 70.60 3cr9 s THR 292 CO 0.26 -0.52 1.72 -0.65 -0.54 0.00 0.00 174.62 174.90 3cr9 h PRO 293 N 0.36 1.12 -0.89 3.99 0.11 -2.01 -3.11 132.00 131.56 3cr9 h PRO 293 Ca -0.47 -0.25 0.07 0.00 0.11 0.00 0.00 66.00 65.46 3cr9 h PRO 293 Cb 1.22 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3cr9 h PRO 293 CO 0.57 0.97 0.56 0.78 -0.21 0.00 0.00 178.00 180.67 3cr9 h GLY 294 N 1.06 1.36 -6.24 -0.55 0.00 -2.02 -3.40 103.07 93.28 3cr9 h GLY 294 Ca 0.23 -0.40 -0.50 0.00 0.00 0.00 0.00 47.33 46.65 3cr9 h GLY 294 CO -0.00 0.26 -0.80 -0.54 0.00 0.00 0.00 176.54 175.46 3cr9 s GLU 295 N -6.05 1.47 0.68 4.80 8.01 -1.17 -5.03 118.70 121.41 3cr9 s GLU 295 Ca -0.12 -0.29 0.04 0.00 0.01 0.00 0.00 54.97 54.61 3cr9 s GLU 295 Cb 0.19 -1.37 0.13 0.00 -4.31 0.00 0.00 34.13 28.76 3cr9 s GLU 295 CO 0.80 -0.11 0.94 -0.65 0.01 0.00 0.00 175.26 176.25 3cr9 s GLN 296 N 1.12 1.84 -0.51 1.61 -1.52 -1.26 -3.68 119.66 117.26 3cr9 s GLN 296 Ca -0.06 -1.47 -0.08 0.00 -1.95 0.00 0.00 55.36 51.80 3cr9 s GLN 296 Cb -0.14 -2.47 0.01 0.00 -0.22 0.00 0.00 33.01 30.19 3cr9 s GLN 296 CO -0.01 -1.29 0.43 -0.25 -0.25 0.00 0.00 175.29 173.92 3cr9 n ASP 297 N -2.63 -3.47 -4.63 5.90 8.00 -1.26 -4.92 116.55 113.54 3cr9 n ASP 297 Ca 0.17 -0.53 -0.37 0.00 0.71 0.00 0.00 54.79 54.77 3cr9 n ASP 297 Cb 0.61 -1.11 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 3cr9 n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cr9 s LEU 298 N -3.44 4.04 0.00 0.64 1.43 -1.26 -4.52 118.68 115.58 3cr9 s LEU 298 Ca 0.07 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3cr9 s LEU 298 Cb -0.01 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3cr9 s LEU 298 CO 0.62 0.04 0.00 0.18 0.23 0.00 0.00 176.35 177.43 3cr9 n LEU 299 N 4.44 0.00 -3.90 1.79 4.77 -1.26 -4.79 117.00 118.05 3cr9 n LEU 299 Ca -0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 3cr9 n LEU 299 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3cr9 n LEU 299 CO 0.34 0.00 -0.00 -0.36 -1.33 0.00 0.00 177.39 176.04 3cr9 s PHE 300 N 0.00 0.26 -0.05 -1.77 0.08 -1.26 -4.54 117.98 110.70 3cr9 s PHE 300 Ca 0.00 -0.63 -0.30 0.00 0.12 0.00 0.00 56.93 56.12 3cr9 s PHE 300 Cb 0.00 -0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.41 3cr9 s PHE 300 CO 0.00 -0.69 1.21 0.21 -0.10 0.00 0.00 175.22 175.85 3cr9 s LYS 301 N -3.92 4.35 0.24 0.44 2.47 -1.26 -4.40 119.74 117.65 3cr9 s LYS 301 Ca 0.13 1.69 -0.29 0.00 -1.56 0.00 0.00 55.97 55.94 3cr9 s LYS 301 Cb 0.03 -3.55 -0.15 0.00 -1.46 0.00 0.00 37.83 32.70 3cr9 s LYS 301 CO -0.04 -0.44 0.88 -0.25 0.16 0.00 0.00 175.35 175.66 3cr9 n ASP 302 N 5.14 0.48 -0.41 1.43 9.92 -1.26 -1.81 116.55 130.04 3cr9 n ASP 302 Ca 0.11 1.16 -0.05 0.00 -0.53 0.00 0.00 54.79 55.47 3cr9 n ASP 302 Cb 0.46 -1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 39.75 3cr9 n ASP 302 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3cr9 n SER 303 N 1.59 -4.22 -4.79 -2.24 7.64 0.15 -4.98 113.62 106.76 3cr9 n SER 303 Ca 0.13 0.13 -0.34 0.00 1.01 0.00 0.00 58.87 59.80 3cr9 n SER 303 Cb 0.28 -2.19 -0.03 0.00 -1.01 0.00 0.00 64.21 61.26 3cr9 n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cr9 s ALA 304 N -2.00 2.88 0.22 -0.43 0.00 -0.75 -4.75 121.76 116.92 3cr9 s ALA 304 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3cr9 s ALA 304 Cb 0.00 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 20.05 3cr9 s ALA 304 CO 0.00 -0.35 1.55 -0.07 0.00 0.00 0.00 175.76 176.89 3cr9 h LEU 305 N 1.62 0.48 0.00 0.00 3.38 -1.31 -3.45 115.31 116.03 3cr9 h LEU 305 Ca -0.49 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3cr9 h LEU 305 Cb 1.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3cr9 h LEU 305 CO 0.59 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.66 3cr9 n GLY 306 N 0.19 -0.49 3.50 0.83 0.00 -1.25 -4.53 105.19 103.44 3cr9 n GLY 306 Ca -0.03 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3cr9 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cr9 s PHE 307 N -4.00 2.03 -0.03 1.61 0.40 -1.26 -1.01 117.98 115.72 3cr9 s PHE 307 Ca 0.00 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.37 3cr9 s PHE 307 Cb 0.00 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.18 3cr9 s PHE 307 CO 0.00 0.06 0.06 0.14 0.70 0.00 0.00 175.22 176.18 3cr9 s VAL 308 N -3.17 -0.02 0.27 -0.44 -7.23 -0.71 -4.89 120.40 104.21 3cr9 s VAL 308 Ca 0.33 0.08 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 3cr9 s VAL 308 Cb 0.08 -0.11 -0.09 0.00 0.56 0.00 0.00 36.38 36.82 3cr9 s VAL 308 CO 0.15 0.03 1.07 -0.60 -0.31 0.00 0.00 175.10 175.45 3cr9 s ARG 309 N 0.47 4.67 -0.27 4.82 3.52 -1.26 -1.51 118.95 129.38 3cr9 s ARG 309 Ca -0.04 1.75 -0.14 0.00 -0.13 0.00 0.00 55.73 57.18 3cr9 s ARG 309 Cb -0.05 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3cr9 s ARG 309 CO -0.02 0.26 0.32 0.42 -0.81 0.00 0.00 175.30 175.47 3cr9 s ILE 310 N -1.17 5.21 1.03 4.11 1.01 0.15 -4.87 121.20 126.68 3cr9 s ILE 310 Ca 0.44 0.47 -0.22 0.00 0.00 0.00 0.00 60.65 61.34 3cr9 s ILE 310 Cb -0.31 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3cr9 s ILE 310 CO 0.40 0.19 -0.68 -2.65 0.00 0.00 0.00 174.94 172.19 3cr9 n PRO 311 N 5.19 -0.89 0.25 2.79 -0.02 -1.26 -4.85 135.00 136.21 3cr9 n PRO 311 Ca -0.10 -0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.01 3cr9 n PRO 311 Cb 0.51 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.60 3cr9 n PRO 311 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cr9 h SER 312 N -1.65 -0.58 -0.18 2.55 0.02 -1.96 -3.32 113.55 108.43 3cr9 h SER 312 Ca -0.42 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 3cr9 h SER 312 Cb 1.27 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 3cr9 h SER 312 CO 0.27 -0.16 0.16 -0.61 -1.14 0.00 0.00 176.83 175.34 3cr9 h GLN 313 N -1.15 0.00 -6.34 3.45 4.15 -1.93 -3.43 115.11 109.86 3cr9 h GLN 313 Ca -0.07 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.74 3cr9 h GLN 313 Cb 0.55 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.27 3cr9 h GLN 313 CO 0.11 0.00 1.00 -0.89 -1.93 0.00 0.00 178.83 177.13 3cr9 n ILE 314 N -4.16 0.40 -3.80 2.39 2.08 -1.25 -4.99 119.36 110.04 3cr9 n ILE 314 Ca 0.01 -0.07 -0.10 0.00 0.56 0.00 0.00 62.75 63.15 3cr9 n ILE 314 Cb 0.29 -1.76 -0.01 0.00 -0.75 0.00 0.00 39.64 37.41 3cr9 n ILE 314 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3cr9 n ASP 315 N 5.65 1.86 -0.16 4.38 5.75 -1.26 -4.73 116.55 128.04 3cr9 n ASP 315 Ca 0.21 -1.74 -0.03 0.00 -0.01 0.00 0.00 54.79 53.22 3cr9 n ASP 315 Cb 0.29 0.02 0.17 0.00 -1.03 0.00 0.00 41.12 40.57 3cr9 n ASP 315 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3cr9 h SER 316 N 0.30 0.83 -0.05 -1.12 4.64 -1.92 -0.81 113.55 115.40 3cr9 h SER 316 Ca -0.14 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3cr9 h SER 316 Cb 0.48 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3cr9 h SER 316 CO 0.22 0.79 0.03 1.23 -0.87 0.00 0.00 176.83 178.23 3cr9 h GLY 317 N 1.00 0.08 1.45 -0.77 0.00 -1.95 0.36 103.07 103.23 3cr9 h GLY 317 Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 3cr9 h GLY 317 CO -0.01 0.03 -0.41 1.41 0.00 0.00 0.00 176.54 177.56 3cr9 h LEU 318 N 0.01 0.64 -0.24 3.11 3.38 -1.91 -0.87 115.31 119.44 3cr9 h LEU 318 Ca 0.02 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3cr9 h LEU 318 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3cr9 h LEU 318 CO -0.00 0.98 0.15 0.22 0.09 0.00 0.00 178.44 179.87 3cr9 h TYR 319 N 0.49 0.32 -0.25 1.13 3.20 -0.91 -3.05 116.97 117.90 3cr9 h TYR 319 Ca 0.04 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3cr9 h TYR 319 Cb 0.93 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3cr9 h TYR 319 CO 0.04 0.24 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.37 3cr9 h LEU 320 N 0.30 0.74 0.00 2.82 3.38 -0.87 -3.48 115.31 118.20 3cr9 h LEU 320 Ca 0.09 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3cr9 h LEU 320 Cb 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3cr9 h LEU 320 CO -0.02 1.11 0.00 0.61 0.09 0.00 0.00 178.44 180.23 3cr9 n GLY 321 N 0.29 0.93 0.32 0.83 0.00 -0.34 -4.33 105.19 102.90 3cr9 n GLY 321 Ca -0.05 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 3cr9 n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cr9 h ALA 322 N 0.00 -0.77 -0.83 4.61 0.00 -1.56 -0.12 119.26 120.59 3cr9 h ALA 322 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3cr9 h ALA 322 Cb 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3cr9 h ALA 322 CO 0.00 -0.88 -0.49 0.09 0.00 0.00 0.00 179.25 177.98 3cr9 n ASN 323 N -5.38 -0.88 0.01 0.00 4.13 -1.26 0.27 115.26 112.16 3cr9 n ASN 323 Ca -0.12 1.54 -0.13 0.00 1.68 0.00 0.00 54.58 57.55 3cr9 n ASN 323 Cb 0.34 -0.23 -0.09 0.00 -1.54 0.00 0.00 39.78 38.26 3cr9 n ASN 323 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3cr9 h TYR 324 N 0.00 -0.01 -0.53 3.10 5.03 -1.75 -2.98 116.97 119.84 3cr9 h TYR 324 Ca 0.13 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.53 3cr9 h TYR 324 Cb 0.34 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.55 3cr9 h TYR 324 CO -0.92 0.25 0.12 -0.07 -1.32 0.00 0.00 178.16 176.22 3cr9 h LEU 325 N -0.27 0.02 0.50 2.82 3.38 0.33 -1.28 115.31 120.82 3cr9 h LEU 325 Ca -0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3cr9 h LEU 325 Cb 0.26 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3cr9 h LEU 325 CO 0.00 0.04 -0.36 0.71 0.09 0.00 0.00 178.44 178.92 3cr9 h THR 326 N 0.26 0.00 -1.04 0.22 1.35 -0.18 0.34 112.91 113.86 3cr9 h THR 326 Ca 0.27 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.40 3cr9 h THR 326 Cb 0.36 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.67 3cr9 h THR 326 CO -0.34 0.00 0.65 0.00 -0.25 0.00 0.00 175.52 175.58 3cr9 h ALA 327 N -1.31 2.10 0.02 6.62 0.00 -1.34 0.80 119.26 126.15 3cr9 h ALA 327 Ca -0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cr9 h ALA 327 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3cr9 h ALA 327 CO 0.03 -0.55 -0.01 1.15 0.00 0.00 0.00 179.25 179.87 3cr9 h THR 328 N 0.44 1.46 -0.71 0.00 2.02 -1.00 -3.07 112.91 112.04 3cr9 h THR 328 Ca 0.63 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 66.33 3cr9 h THR 328 Cb 1.48 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 70.33 3cr9 h THR 328 CO -0.37 0.39 0.47 1.56 0.37 0.00 0.00 175.52 177.94 3cr9 h GLN 329 N -0.70 0.71 0.00 6.66 4.20 0.11 -1.60 115.11 124.48 3cr9 h GLN 329 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3cr9 h GLN 329 Cb 0.66 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3cr9 h GLN 329 CO 0.00 0.47 0.00 0.09 -0.67 0.00 0.00 178.83 178.72 3cr9 n ASN 330 N -4.48 0.28 -0.24 1.46 5.03 0.27 -0.79 115.26 116.79 3cr9 n ASN 330 Ca 0.10 0.59 0.14 0.00 0.87 0.00 0.00 54.58 56.28 3cr9 n ASN 330 Cb 0.23 -0.64 0.50 0.00 -1.02 0.00 0.00 39.78 38.85 3cr9 n ASN 330 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3cr9 n LEU 331 N -1.83 0.91 -0.23 3.41 4.77 -0.60 -3.65 117.00 119.77 3cr9 n LEU 331 Ca 0.02 -0.22 0.08 0.00 -0.03 0.00 0.00 56.01 55.86 3cr9 n LEU 331 Cb 0.14 -0.11 0.12 0.00 -2.33 0.00 0.00 43.42 41.24 3cr9 n LEU 331 CO 0.12 0.16 0.48 -2.11 -1.33 0.00 0.00 177.39 174.72 3cr9 n ARG 332 N -0.60 1.10 -4.23 3.23 0.00 0.03 -4.91 116.66 111.29 3cr9 n ARG 332 Ca 0.15 -2.42 -0.14 0.00 -0.00 0.00 0.00 57.85 55.44 3cr9 n ARG 332 Cb 0.32 -1.33 -0.10 0.00 -0.00 0.00 0.00 32.46 31.35 3cr9 n ARG 332 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3cr9 s GLU 333 N -2.42 0.99 0.74 2.89 2.02 -1.18 -4.87 118.70 116.87 3cr9 s GLU 333 Ca 0.28 -1.37 -0.11 0.00 0.02 0.00 0.00 54.97 53.79 3cr9 s GLU 333 Cb 0.25 -0.57 0.04 0.00 0.10 0.00 0.00 34.13 33.95 3cr9 s GLU 333 CO 0.01 0.07 1.08 0.95 0.02 0.00 0.00 175.26 177.39 3cr9 s THR 334 N -3.12 3.54 0.22 3.63 -4.23 -1.26 -4.77 115.64 109.64 3cr9 s THR 334 Ca 0.13 0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 3cr9 s THR 334 Cb 0.01 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.73 3cr9 s THR 334 CO -0.00 -0.65 1.87 0.00 -0.54 0.00 0.00 174.62 175.29 3cr9 h ALA 335 N -0.87 0.99 -0.69 3.99 0.00 -1.94 -1.38 119.26 119.37 3cr9 h ALA 335 Ca -0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3cr9 h ALA 335 Cb 1.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3cr9 h ALA 335 CO 0.59 0.32 0.32 0.00 0.00 0.00 0.00 179.25 180.48 3cr9 h ALA 336 N 1.31 0.89 -0.62 0.00 0.00 -1.96 -1.94 119.26 116.94 3cr9 h ALA 336 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3cr9 h ALA 336 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3cr9 h ALA 336 CO -0.09 0.47 0.40 0.93 0.00 0.00 0.00 179.25 180.96 3cr9 h GLU 337 N 0.97 0.82 0.60 0.00 5.08 -1.70 -0.21 114.58 120.15 3cr9 h GLU 337 Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3cr9 h GLU 337 Cb 0.14 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3cr9 h GLU 337 CO -0.03 0.56 -0.29 0.28 -1.00 0.00 0.00 179.01 178.53 3cr9 h VAL 338 N 0.84 0.00 -0.88 3.13 2.07 -1.06 -2.36 116.25 117.98 3cr9 h VAL 338 Ca 0.23 -0.11 0.18 0.00 0.82 0.00 0.00 66.70 67.81 3cr9 h VAL 338 Cb -0.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.63 3cr9 h VAL 338 CO -0.05 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.12 3cr9 h ALA 339 N -1.52 2.09 -0.21 1.67 0.00 -1.38 -0.90 119.26 119.02 3cr9 h ALA 339 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3cr9 h ALA 339 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3cr9 h ALA 339 CO 0.14 -0.36 0.07 0.00 0.00 0.00 0.00 179.25 179.09 3cr9 h ALA 340 N 1.62 0.28 -0.41 0.00 0.00 -0.94 -2.57 119.26 117.23 3cr9 h ALA 340 Ca 0.46 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3cr9 h ALA 340 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3cr9 h ALA 340 CO -0.18 -0.10 -0.23 -0.09 0.00 0.00 0.00 179.25 178.64 3cr9 h ARG 341 N 0.17 0.82 0.00 0.00 9.65 -0.72 -2.76 114.38 121.54 3cr9 h ARG 341 Ca 0.07 -0.34 -0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3cr9 h ARG 341 Cb 0.23 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3cr9 h ARG 341 CO -0.00 0.97 -0.02 0.00 2.80 0.00 0.00 179.97 183.72 3cr9 h ARG 342 N 0.71 0.00 0.00 0.20 3.08 -1.08 -2.90 114.38 114.39 3cr9 h ARG 342 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3cr9 h ARG 342 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 3cr9 h ARG 342 CO 0.06 0.02 -1.83 0.39 -1.07 0.00 0.00 179.97 177.54 3cr9 n GLU 343 N -3.65 0.65 -0.75 0.04 1.02 -0.98 -4.95 120.64 112.02 3cr9 n GLU 343 Ca -0.03 -0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 56.93 3cr9 n GLU 343 Cb 0.11 -1.58 0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3cr9 n GLU 343 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3cr9 n ARG 344 N -2.37 0.12 -3.73 3.49 1.85 -1.06 -5.01 116.66 109.96 3cr9 n ARG 344 Ca -0.05 -0.53 -0.16 0.00 -1.00 0.00 0.00 57.85 56.11 3cr9 n ARG 344 Cb 0.60 -0.22 -0.16 0.00 -1.05 0.00 0.00 32.46 31.63 3cr9 n ARG 344 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cr9 s VAL 345 N -1.02 -0.10 -0.27 8.89 1.01 -0.42 -4.99 120.40 123.50 3cr9 s VAL 345 Ca 0.15 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3cr9 s VAL 345 Cb -0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 3cr9 s VAL 345 CO 0.10 0.12 0.14 -0.69 0.00 0.00 0.00 175.10 174.78 3cr9 s VAL 346 N 1.54 4.87 0.22 2.92 1.01 -1.26 -0.62 120.40 129.08 3cr9 s VAL 346 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3cr9 s VAL 346 Cb -0.12 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 3cr9 s VAL 346 CO -0.04 0.26 0.51 0.86 0.00 0.00 0.00 175.10 176.69 3cr9 s TRP 347 N 1.69 3.44 -0.30 5.22 -0.11 -0.05 0.15 118.94 128.98 3cr9 s TRP 347 Ca 0.07 0.76 -0.06 0.00 1.22 0.00 0.00 56.10 58.09 3cr9 s TRP 347 Cb -0.16 -2.18 0.02 0.00 -1.50 0.00 0.00 33.47 29.65 3cr9 s TRP 347 CO 0.08 0.28 0.07 0.00 -4.62 0.00 0.00 176.95 172.76 3cr9 s ALA 349 N 1.45 3.49 -0.48 0.00 0.00 0.38 -4.80 121.76 121.80 3cr9 s ALA 349 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 3cr9 s ALA 349 Cb -0.18 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.30 3cr9 s ALA 349 CO 0.02 0.14 0.44 0.08 0.00 0.00 0.00 175.76 176.44 3cr9 s VAL 350 N -0.03 5.17 0.00 0.00 1.01 -1.26 -1.86 120.40 123.43 3cr9 s VAL 350 Ca 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3cr9 s VAL 350 Cb -0.17 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3cr9 s VAL 350 CO 0.16 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.23 3cr9 n GLY 351 N 5.20 0.59 0.23 4.51 0.00 -0.18 -4.46 105.19 111.08 3cr9 n GLY 351 Ca -0.12 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 3cr9 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cr9 h PRO 352 N 0.00 -0.17 -0.06 1.61 0.13 -1.92 -2.55 132.00 129.03 3cr9 h PRO 352 Ca 0.00 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3cr9 h PRO 352 Cb 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 3cr9 h PRO 352 CO 0.00 -0.12 -0.02 0.93 -0.23 0.00 0.00 178.00 178.56 3cr9 h GLU 353 N -0.18 0.09 -0.14 0.86 5.08 -1.96 -2.57 114.58 115.75 3cr9 h GLU 353 Ca 0.13 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.27 3cr9 h GLU 353 Cb 0.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3cr9 h GLU 353 CO -0.34 0.12 -0.75 0.93 -1.00 0.00 0.00 179.01 177.98 3cr9 h GLU 354 N 0.09 0.69 -0.11 2.33 5.08 -1.68 -2.92 114.58 118.05 3cr9 h GLU 354 Ca 0.02 -0.55 -0.07 0.00 -1.00 0.00 0.00 59.36 57.76 3cr9 h GLU 354 Cb 0.11 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3cr9 h GLU 354 CO 0.00 1.16 -0.26 1.49 -1.00 0.00 0.00 179.01 180.41 3cr9 h GLU 355 N 0.47 0.19 0.36 2.33 4.81 -1.29 0.54 114.58 121.99 3cr9 h GLU 355 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3cr9 h GLU 355 Cb 1.36 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3cr9 h GLU 355 CO 0.15 0.44 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.61 3cr9 h ARG 356 N 0.18 -0.46 -1.00 1.92 9.65 -1.40 0.34 114.38 123.60 3cr9 h ARG 356 Ca 0.03 0.03 0.17 0.00 -1.10 0.00 0.00 59.98 59.11 3cr9 h ARG 356 Cb 0.55 0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 29.14 3cr9 h ARG 356 CO 0.04 -0.31 0.62 -0.22 2.80 0.00 0.00 179.97 182.90 3cr9 h LYS 357 N -0.49 0.80 -0.35 0.20 3.64 -1.32 0.56 116.57 119.63 3cr9 h LYS 357 Ca -0.05 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 3cr9 h LYS 357 Cb 0.37 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3cr9 h LYS 357 CO 0.08 0.53 0.08 0.00 -2.27 0.00 0.00 179.45 177.87 3cr9 h LYS 359 N 0.41 0.97 -0.35 0.00 1.79 0.19 0.32 116.57 119.90 3cr9 h LYS 359 Ca 0.11 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3cr9 h LYS 359 Cb 0.31 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3cr9 h LYS 359 CO 0.00 0.64 0.21 1.96 -1.08 0.00 0.00 179.45 181.18 3cr9 h GLN 360 N 1.00 0.47 -0.82 3.15 4.20 -0.58 -1.19 115.11 121.34 3cr9 h GLN 360 Ca 0.45 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.17 3cr9 h GLN 360 Cb 0.38 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3cr9 h GLN 360 CO -0.21 0.35 0.51 2.35 -0.67 0.00 0.00 178.83 181.16 3cr9 h TRP 361 N 0.45 0.95 0.63 2.96 7.01 0.34 -1.10 115.95 127.19 3cr9 h TRP 361 Ca 0.12 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3cr9 h TRP 361 Cb 0.00 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3cr9 h TRP 361 CO -0.04 0.51 -0.30 1.03 -2.79 0.00 0.00 178.44 176.85 3cr9 h SER 362 N 0.96 -0.71 -0.48 2.65 0.87 0.14 -2.26 113.55 114.72 3cr9 h SER 362 Ca 0.34 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.98 3cr9 h SER 362 Cb 0.09 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.14 3cr9 h SER 362 CO -0.14 -0.39 -0.17 0.44 -0.53 0.00 0.00 176.83 176.03 3cr9 h ASP 363 N -1.03 -0.60 0.57 6.23 3.32 -1.08 -1.46 116.42 122.35 3cr9 h ASP 363 Ca -0.09 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3cr9 h ASP 363 Cb 0.69 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3cr9 h ASP 363 CO 0.14 -0.21 0.00 0.58 -1.72 0.00 0.00 179.24 178.04 3cr9 h VAL 364 N -0.06 0.00 -0.57 -1.35 2.07 -1.18 -2.87 116.25 112.29 3cr9 h VAL 364 Ca 0.23 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3cr9 h VAL 364 Cb 0.41 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3cr9 h VAL 364 CO -0.52 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.53 3cr9 n SER 365 N -2.86 4.69 -4.01 0.57 3.41 -0.63 -4.92 113.62 109.87 3cr9 n SER 365 Ca -0.00 -2.56 -0.30 0.00 -0.26 0.00 0.00 58.87 55.75 3cr9 n SER 365 Cb 0.20 -0.57 -0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3cr9 n SER 365 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cr9 n ASN 366 N 0.81 -2.64 -3.43 4.04 3.02 -1.08 -2.65 115.26 113.32 3cr9 n ASN 366 Ca 0.25 -0.93 -0.25 0.00 -0.03 0.00 0.00 54.58 53.62 3cr9 n ASN 366 Cb 0.91 -3.29 0.03 0.00 -0.61 0.00 0.00 39.78 36.82 3cr9 n ASN 366 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cr9 n ARG 367 N -4.46 -5.25 0.20 3.52 1.74 -0.75 -4.82 116.66 106.84 3cr9 n ARG 367 Ca -0.08 0.71 0.12 0.00 -0.77 0.00 0.00 57.85 57.83 3cr9 n ARG 367 Cb 0.58 -5.58 0.19 0.00 -1.02 0.00 0.00 32.46 26.62 3cr9 n ARG 367 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3cr9 h LYS 368 N -1.70 0.00 -4.54 5.56 1.57 -1.76 -3.42 116.57 112.27 3cr9 h LYS 368 Ca -0.53 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.72 3cr9 h LYS 368 Cb 1.35 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.32 3cr9 h LYS 368 CO 0.59 0.00 -0.82 0.08 -0.57 0.00 0.00 179.45 178.73 3cr9 s VAL 369 N -3.20 1.21 0.40 0.50 1.01 -1.26 -1.30 120.40 117.75 3cr9 s VAL 369 Ca 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3cr9 s VAL 369 Cb 0.06 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 3cr9 s VAL 369 CO 0.67 0.38 0.02 0.00 0.00 0.00 0.00 175.10 176.16 3cr9 s ALA 370 N 0.92 3.20 0.24 5.51 0.00 0.20 -4.16 121.76 127.67 3cr9 s ALA 370 Ca -0.09 -2.23 0.12 0.00 0.00 0.00 0.00 51.96 49.76 3cr9 s ALA 370 Cb -0.15 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3cr9 s ALA 370 CO 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 175.76 175.46 3cr9 s ALA 372 N -2.13 -0.38 0.10 0.00 0.00 0.83 -4.86 121.76 115.32 3cr9 s ALA 372 Ca 0.26 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.75 3cr9 s ALA 372 Cb -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3cr9 s ALA 372 CO 0.12 -0.09 -0.11 -1.54 0.00 0.00 0.00 175.76 174.14 3cr9 s SER 373 N 0.27 1.60 0.12 0.00 1.04 -1.26 0.14 113.70 115.62 3cr9 s SER 373 Ca -0.02 -0.81 -0.08 0.00 0.48 0.00 0.00 55.95 55.53 3cr9 s SER 373 Cb -0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 3cr9 s SER 373 CO -0.01 -0.22 0.20 0.00 0.98 0.00 0.00 173.24 174.19 3cr9 s ALA 374 N -2.32 0.01 0.03 5.32 0.00 -0.78 -4.94 121.76 119.08 3cr9 s ALA 374 Ca 0.06 -0.84 0.13 0.00 0.00 0.00 0.00 51.96 51.31 3cr9 s ALA 374 Cb -0.04 0.66 0.16 0.00 0.00 0.00 0.00 23.12 23.90 3cr9 s ALA 374 CO 0.01 -0.55 1.48 0.77 0.00 0.00 0.00 175.76 177.47 3cr9 h SER 375 N 2.70 0.00 -3.13 0.00 0.02 -1.95 -0.45 113.55 110.74 3cr9 h SER 375 Ca -0.33 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.13 3cr9 h SER 375 Cb 1.21 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 3cr9 h SER 375 CO 0.54 0.62 -0.60 0.42 -1.14 0.00 0.00 176.83 176.67 3cr9 s THR 376 N -3.10 1.14 0.07 -2.27 -4.23 -1.26 -4.45 115.64 101.54 3cr9 s THR 376 Ca 0.02 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.67 3cr9 s THR 376 Cb 0.09 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3cr9 s THR 376 CO 0.75 0.00 1.55 0.71 -0.54 0.00 0.00 174.62 177.09 3cr9 h THR 377 N 2.05 1.08 -0.19 3.99 1.35 -1.90 -2.74 112.91 116.56 3cr9 h THR 377 Ca -0.40 -2.14 -0.09 0.00 -0.55 0.00 0.00 66.41 63.22 3cr9 h THR 377 Cb 1.25 2.27 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3cr9 h THR 377 CO 0.69 0.54 -0.22 -0.33 -0.25 0.00 0.00 175.52 175.94 3cr9 h GLU 378 N 0.00 0.49 -0.55 4.72 4.39 -1.97 -2.36 114.58 119.30 3cr9 h GLU 378 Ca -0.01 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.48 3cr9 h GLU 378 Cb 1.23 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 3cr9 h GLU 378 CO 0.07 0.85 0.28 0.93 -1.16 0.00 0.00 179.01 179.98 3cr9 h GLU 379 N 0.15 0.51 0.12 2.33 5.08 -1.97 -0.16 114.58 120.65 3cr9 h GLU 379 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3cr9 h GLU 379 Cb 0.78 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3cr9 h GLU 379 CO 0.05 0.34 -0.22 0.00 -1.00 0.00 0.00 179.01 178.18 3cr9 h ILE 381 N -0.42 0.73 -0.11 0.00 2.04 -0.83 0.15 117.51 119.08 3cr9 h ILE 381 Ca 0.02 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3cr9 h ILE 381 Cb 0.43 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3cr9 h ILE 381 CO -0.12 0.13 0.06 0.00 0.00 0.00 0.00 178.15 178.23 3cr9 h ALA 382 N 1.60 0.14 -0.67 1.87 0.00 -0.24 -1.05 119.26 120.92 3cr9 h ALA 382 Ca 0.53 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.52 3cr9 h ALA 382 Cb 0.77 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3cr9 h ALA 382 CO -0.37 -0.33 0.14 -0.07 0.00 0.00 0.00 179.25 178.63 3cr9 h LEU 383 N 0.08 -0.01 -1.36 0.00 3.38 0.17 0.39 115.31 117.97 3cr9 h LEU 383 Ca 0.04 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3cr9 h LEU 383 Cb 0.07 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3cr9 h LEU 383 CO -0.01 -0.02 0.43 0.58 0.09 0.00 0.00 178.44 179.52 3cr9 h VAL 384 N 0.26 1.17 -0.07 1.22 2.07 -0.50 -0.69 116.25 119.70 3cr9 h VAL 384 Ca 0.36 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.41 3cr9 h VAL 384 Cb 0.58 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3cr9 h VAL 384 CO -0.46 0.16 -0.70 -0.07 0.02 0.00 0.00 177.57 176.52 3cr9 h LEU 385 N 0.88 0.39 -0.87 2.57 3.38 0.94 -2.84 115.31 119.76 3cr9 h LEU 385 Ca 0.24 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3cr9 h LEU 385 Cb -0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3cr9 h LEU 385 CO -0.05 0.97 -0.30 0.11 0.09 0.00 0.00 178.44 179.25 3cr9 h LYS 386 N 0.23 0.00 0.00 1.13 1.57 -0.19 -2.59 116.57 116.73 3cr9 h LYS 386 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3cr9 h LYS 386 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3cr9 h LYS 386 CO 0.11 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.70 3cr9 n GLY 387 N 0.36 0.97 0.11 3.86 0.00 -0.41 -3.83 105.19 106.26 3cr9 n GLY 387 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3cr9 n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cr9 h GLU 388 N 2.95 0.00 -4.80 1.61 5.08 -1.43 -3.46 114.58 114.53 3cr9 h GLU 388 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3cr9 h GLU 388 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 3cr9 h GLU 388 CO 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.30 3cr9 s ALA 389 N -3.20 1.11 -0.14 3.43 0.00 -1.20 -4.93 121.76 116.83 3cr9 s ALA 389 Ca 0.06 -1.35 0.13 0.00 0.00 0.00 0.00 51.96 50.80 3cr9 s ALA 389 Cb 0.11 0.11 -0.18 0.00 0.00 0.00 0.00 23.12 23.15 3cr9 s ALA 389 CO 0.70 -0.16 0.33 -0.25 0.00 0.00 0.00 175.76 176.37 3cr9 n ASP 390 N 0.04 1.78 0.00 0.00 8.00 0.40 -4.33 116.55 122.44 3cr9 n ASP 390 Ca -0.12 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.20 3cr9 n ASP 390 Cb 0.60 1.45 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 3cr9 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cr9 n ALA 391 N -1.79 0.00 -3.55 2.24 0.00 -1.05 -4.47 120.51 111.89 3cr9 n ALA 391 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 3cr9 n ALA 391 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 3cr9 n ALA 391 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3cr9 s LEU 392 N 0.00 -0.30 -0.10 0.00 0.05 -1.23 -1.05 118.68 116.06 3cr9 s LEU 392 Ca 0.00 0.13 -0.30 0.00 0.05 0.00 0.00 54.13 54.01 3cr9 s LEU 392 Cb 0.00 1.78 -0.01 0.00 -2.05 0.00 0.00 46.19 45.90 3cr9 s LEU 392 CO 0.00 -0.41 1.01 0.21 -0.55 0.00 0.00 176.35 176.60 3cr9 s ASN 393 N -1.91 7.26 0.11 1.48 2.47 -1.26 -1.90 114.94 121.18 3cr9 s ASN 393 Ca 0.04 1.54 0.06 0.00 0.42 0.00 0.00 52.86 54.92 3cr9 s ASN 393 Cb -0.01 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 3cr9 s ASN 393 CO -0.05 -0.43 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.00 3cr9 s LEU 394 N 1.92 2.37 0.52 3.21 1.43 0.25 -4.89 118.68 123.48 3cr9 s LEU 394 Ca 0.49 -0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 3cr9 s LEU 394 Cb -0.19 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 3cr9 s LEU 394 CO 0.19 -0.11 1.01 -0.62 0.23 0.00 0.00 176.35 177.05 3cr9 s ASP 395 N -2.25 6.38 0.33 2.29 2.15 -1.26 0.24 116.67 124.55 3cr9 s ASP 395 Ca 0.06 1.72 0.12 0.00 0.43 0.00 0.00 52.55 54.88 3cr9 s ASP 395 Cb -0.06 -2.53 1.02 0.00 -0.30 0.00 0.00 42.92 41.05 3cr9 s ASP 395 CO 0.03 -0.75 1.64 1.23 -0.17 0.00 0.00 175.17 177.15 3cr9 h GLY 396 N 1.02 1.90 1.19 2.66 0.00 -1.82 0.40 103.07 108.42 3cr9 h GLY 396 Ca -0.48 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 46.71 3cr9 h GLY 396 CO 0.60 -0.51 0.53 -1.33 0.00 0.00 0.00 176.54 175.82 3cr9 h GLY 397 N 0.24 1.12 0.45 4.60 0.00 -1.91 -1.57 103.07 106.00 3cr9 h GLY 397 Ca 0.70 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3cr9 h GLY 397 CO -0.66 0.39 -0.39 0.69 0.00 0.00 0.00 176.54 176.57 3cr9 n PHE 398 N -4.42 0.00 0.17 5.60 3.72 0.12 -3.14 117.46 119.51 3cr9 n PHE 398 Ca 0.09 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.53 3cr9 n PHE 398 Cb 0.05 -0.16 0.27 0.00 -0.94 0.00 0.00 39.48 38.70 3cr9 n PHE 398 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3cr9 h ILE 399 N 0.77 0.98 0.18 4.37 2.04 -0.08 -1.01 117.51 124.75 3cr9 h ILE 399 Ca 0.00 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 3cr9 h ILE 399 Cb 0.52 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3cr9 h ILE 399 CO 0.00 0.43 -0.09 0.22 0.00 0.00 0.00 178.15 178.72 3cr9 h TYR 400 N 0.00 -0.22 0.24 1.37 3.20 -1.43 0.27 116.97 120.40 3cr9 h TYR 400 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3cr9 h TYR 400 Cb 1.00 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3cr9 h TYR 400 CO 0.00 0.09 -0.12 0.28 -1.64 0.00 0.00 178.16 176.77 3cr9 h VAL 401 N -0.54 0.79 -0.98 1.81 2.07 -1.59 -0.67 116.25 117.14 3cr9 h VAL 401 Ca -0.02 -0.16 0.17 0.00 0.82 0.00 0.00 66.70 67.51 3cr9 h VAL 401 Cb 0.41 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 3cr9 h VAL 401 CO 0.04 0.04 0.61 0.00 0.02 0.00 0.00 177.57 178.28 3cr9 h ALA 402 N 0.34 1.74 -0.02 1.67 0.00 -1.15 0.39 119.26 122.23 3cr9 h ALA 402 Ca -0.03 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3cr9 h ALA 402 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3cr9 h ALA 402 CO 0.05 -0.06 -0.50 0.78 0.00 0.00 0.00 179.25 179.53 3cr9 h GLY 403 N 0.76 0.05 2.00 0.00 0.00 0.11 0.29 103.07 106.27 3cr9 h GLY 403 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3cr9 h GLY 403 CO -0.30 0.05 0.00 0.50 0.00 0.00 0.00 176.54 176.79 3cr9 h LYS 404 N 0.04 0.00 -0.67 4.80 1.57 0.58 -2.71 116.57 120.18 3cr9 h LYS 404 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cr9 h LYS 404 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3cr9 h LYS 404 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 3cr9 n GLY 406 N 1.37 0.81 3.81 0.00 0.00 -1.02 -5.01 105.19 105.15 3cr9 n GLY 406 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3cr9 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cr9 s LEU 407 N 0.00 3.91 0.15 0.99 1.43 0.05 -4.55 118.68 120.66 3cr9 s LEU 407 Ca 0.00 1.78 0.11 0.00 -1.03 0.00 0.00 54.13 54.99 3cr9 s LEU 407 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 3cr9 s LEU 407 CO 0.00 -0.52 -0.24 0.68 0.23 0.00 0.00 176.35 176.50 3cr9 s VAL 408 N -2.10 2.41 0.00 -1.59 -7.23 -0.45 -3.92 120.40 107.53 3cr9 s VAL 408 Ca 0.64 -1.81 -0.30 0.00 -1.81 0.00 0.00 61.98 58.69 3cr9 s VAL 408 Cb -0.12 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3cr9 s VAL 408 CO 0.16 0.01 1.16 -2.16 -0.31 0.00 0.00 175.10 173.96 3cr9 s PRO 409 N -2.31 4.42 0.00 4.82 0.04 -1.26 -1.91 135.00 138.80 3cr9 s PRO 409 Ca 0.17 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.89 3cr9 s PRO 409 Cb -0.09 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.00 3cr9 s PRO 409 CO 0.08 -0.30 0.00 0.28 0.04 0.00 0.00 177.00 177.10 3cr9 n VAL 410 N 4.20 0.00 -4.43 -0.36 0.31 0.30 -4.89 118.33 113.45 3cr9 n VAL 410 Ca 0.09 0.43 -0.24 0.00 -0.01 0.00 0.00 64.34 64.61 3cr9 n VAL 410 Cb 0.47 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.94 3cr9 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cr9 s LEU 411 N -4.19 2.73 0.16 7.52 1.43 -1.25 -4.49 118.68 120.58 3cr9 s LEU 411 Ca 0.00 -0.96 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 3cr9 s LEU 411 Cb 0.00 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3cr9 s LEU 411 CO 0.00 0.01 -0.20 0.00 0.23 0.00 0.00 176.35 176.39 3cr9 s ALA 412 N -2.48 2.64 -0.20 4.21 0.00 -0.39 -1.39 121.76 124.16 3cr9 s ALA 412 Ca 0.31 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 3cr9 s ALA 412 Cb -0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3cr9 s ALA 412 CO 0.16 0.50 1.24 -1.21 0.00 0.00 0.00 175.76 176.45 3cr9 s GLU 413 N -2.47 4.17 -0.33 0.00 2.02 -1.03 0.85 118.70 121.91 3cr9 s GLU 413 Ca 0.20 1.54 -0.10 0.00 0.02 0.00 0.00 54.97 56.63 3cr9 s GLU 413 Cb -0.09 -3.77 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 3cr9 s GLU 413 CO 0.10 -0.78 0.18 -0.80 0.02 0.00 0.00 175.26 173.98 3cr9 s ASN 414 N 2.04 5.66 0.93 -0.19 0.01 -0.13 -4.62 114.94 118.64 3cr9 s ASN 414 Ca 0.54 -0.60 -0.11 0.00 -0.71 0.00 0.00 52.86 51.98 3cr9 s ASN 414 Cb -0.20 -2.03 0.16 0.00 0.41 0.00 0.00 41.25 39.59 3cr9 s ASN 414 CO 0.15 -0.24 1.12 0.00 -1.51 0.00 0.00 177.10 176.62 3cr9 s GLN 415 N 1.62 0.88 0.00 -0.60 -2.07 -1.26 -0.95 119.66 117.28 3cr9 s GLN 415 Ca 0.04 1.36 -0.16 0.00 -1.82 0.00 0.00 55.36 54.78 3cr9 s GLN 415 Cb -0.17 -1.73 -0.19 0.00 -1.09 0.00 0.00 33.01 29.83 3cr9 s GLN 415 CO 0.07 -2.66 1.21 1.63 -1.32 0.00 0.00 175.29 174.22 3cr9 n LYS 416 N -4.24 0.00 0.00 9.60 5.02 0.23 -4.40 118.16 124.37 3cr9 n LYS 416 Ca 0.10 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 3cr9 n LYS 416 Cb 0.53 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3cr9 n LYS 416 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cr9 n SER 417 N 6.79 -0.57 -0.66 4.39 2.88 -1.26 -5.03 113.62 120.15 3cr9 n SER 417 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 3cr9 n SER 417 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3cr9 n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cr9 n GLN 418 N 0.00 0.00 0.00 -1.46 6.02 -1.26 -5.08 117.38 115.60 3cr9 n GLN 418 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3cr9 n GLN 418 Cb 0.00 -0.48 0.00 0.00 1.02 0.00 0.00 30.24 30.78 3cr9 n GLN 418 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3cr9 n ASN 419 N -0.03 0.00 -3.64 1.08 2.04 -1.26 -5.12 115.26 108.33 3cr9 n ASN 419 Ca 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 54.58 54.10 3cr9 n ASN 419 Cb 0.00 0.30 -0.06 0.00 -2.53 0.00 0.00 39.78 37.49 3cr9 n ASN 419 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3cr9 s SER 420 N -1.94 -0.14 0.00 0.53 1.04 -1.26 -4.83 113.70 107.10 3cr9 s SER 420 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3cr9 s SER 420 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3cr9 s SER 420 CO 0.00 -0.08 0.00 -3.20 0.98 0.00 0.00 173.24 170.94 3cr9 n ASN 421 N 1.22 0.00 0.00 7.02 2.85 -1.26 -4.55 115.26 120.55 3cr9 n ASN 421 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 3cr9 n ASN 421 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 3cr9 n ASN 421 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cr9 n ALA 422 N -0.29 0.00 -1.00 5.20 0.00 -1.26 -3.92 120.51 119.24 3cr9 n ALA 422 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cr9 n ALA 422 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cr9 n ALA 422 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cr9 n PRO 423 N 0.00 0.00 -0.00 0.00 -0.04 -1.26 -4.84 135.00 128.86 3cr9 n PRO 423 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3cr9 n PRO 423 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 3cr9 n PRO 423 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3cr9 n ASP 424 N 0.00 1.03 0.00 3.54 4.64 -1.25 -4.96 116.55 119.54 3cr9 n ASP 424 Ca 0.00 0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.56 3cr9 n ASP 424 Cb 0.00 -0.41 0.00 0.00 -1.04 0.00 0.00 41.12 39.67 3cr9 n ASP 424 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3cr9 h VAL 426 N 0.00 0.00 -0.00 0.00 2.07 -1.93 -2.95 116.25 113.44 3cr9 h VAL 426 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3cr9 h VAL 426 Cb 0.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3cr9 h VAL 426 CO 0.00 0.00 -0.03 1.41 0.02 0.00 0.00 177.57 178.97 3cr9 n HIS 427 N -2.70 0.00 -2.13 1.57 8.25 -1.26 -2.18 115.22 116.77 3cr9 n HIS 427 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3cr9 n HIS 427 Cb 0.30 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 3cr9 n HIS 427 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3cr9 s ARG 428 N -0.57 4.36 0.12 -0.41 3.52 -1.11 -4.93 118.95 119.93 3cr9 s ARG 428 Ca 0.01 2.19 -0.31 0.00 -0.13 0.00 0.00 55.73 57.49 3cr9 s ARG 428 Cb 0.01 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 3cr9 s ARG 428 CO 0.04 -0.21 1.48 -2.14 -0.81 0.00 0.00 175.30 173.66 3cr9 s PRO 429 N -1.30 4.27 0.29 5.12 0.02 -1.26 -4.76 135.00 137.37 3cr9 s PRO 429 Ca 0.51 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 3cr9 s PRO 429 Cb -0.39 -3.27 -0.12 0.00 0.02 0.00 0.00 34.50 30.74 3cr9 s PRO 429 CO 0.49 -0.54 1.52 -2.30 -0.33 0.00 0.00 177.00 175.83 3cr9 n PRO 430 N 4.21 2.49 -0.12 5.54 -0.02 -1.26 -4.87 135.00 140.97 3cr9 n PRO 430 Ca 0.13 0.88 0.05 0.00 -2.02 0.00 0.00 63.50 62.55 3cr9 n PRO 430 Cb 0.41 -2.62 0.12 0.00 -0.02 0.00 0.00 33.50 31.39 3cr9 n PRO 430 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3cr9 n GLU 431 N 1.86 2.21 0.00 -0.52 0.28 -1.26 -5.04 120.64 118.17 3cr9 n GLU 431 Ca 0.08 -1.78 0.00 0.00 -0.16 0.00 0.00 57.16 55.31 3cr9 n GLU 431 Cb 0.35 -1.24 0.00 0.00 1.43 0.00 0.00 31.44 31.98 3cr9 n GLU 431 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3cr9 n GLY 432 N 0.51 -0.88 3.13 -1.84 0.00 -1.26 -4.97 105.19 99.88 3cr9 n GLY 432 Ca 0.10 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 3cr9 n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cr9 s TYR 433 N 0.00 -0.00 -0.21 1.61 -0.85 -0.49 -4.84 117.35 112.57 3cr9 s TYR 433 Ca 0.00 -0.05 -0.28 0.00 -0.52 0.00 0.00 57.07 56.22 3cr9 s TYR 433 Cb 0.00 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.32 3cr9 s TYR 433 CO 0.00 -0.31 0.98 -0.51 -1.52 0.00 0.00 175.55 174.19 3cr9 s LEU 434 N -1.36 4.12 -0.05 -3.49 1.43 -1.26 0.14 118.68 118.21 3cr9 s LEU 434 Ca -0.14 1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 54.00 3cr9 s LEU 434 Cb -0.07 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3cr9 s LEU 434 CO 0.02 -0.59 0.82 0.00 0.23 0.00 0.00 176.35 176.83 3cr9 s ALA 435 N 2.91 3.29 0.34 4.21 0.00 0.10 -1.86 121.76 130.76 3cr9 s ALA 435 Ca 0.42 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.70 3cr9 s ALA 435 Cb -0.16 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 3cr9 s ALA 435 CO 0.08 -0.21 0.04 0.14 0.00 0.00 0.00 175.76 175.81 3cr9 s VAL 436 N 1.03 1.39 -0.28 0.00 -7.23 0.53 -1.48 120.40 114.37 3cr9 s VAL 436 Ca 0.43 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3cr9 s VAL 436 Cb -0.19 -2.81 0.07 0.00 0.56 0.00 0.00 36.38 34.01 3cr9 s VAL 436 CO 0.21 -0.03 -0.07 0.00 -0.31 0.00 0.00 175.10 174.90 3cr9 s ALA 437 N -3.15 2.64 -0.05 1.32 0.00 -1.26 -1.84 121.76 119.42 3cr9 s ALA 437 Ca 0.36 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 3cr9 s ALA 437 Cb 0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 3cr9 s ALA 437 CO 0.16 -1.29 0.12 0.08 0.00 0.00 0.00 175.76 174.82 3cr9 s VAL 438 N 1.07 5.11 0.21 0.00 1.01 0.74 -1.50 120.40 127.06 3cr9 s VAL 438 Ca -0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3cr9 s VAL 438 Cb -0.20 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 3cr9 s VAL 438 CO -0.05 0.46 0.35 0.68 0.00 0.00 0.00 175.10 176.55 3cr9 s VAL 439 N -1.14 0.02 0.14 2.92 -7.23 -1.06 0.83 120.40 114.89 3cr9 s VAL 439 Ca 0.20 -1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 58.61 3cr9 s VAL 439 Cb -0.12 -2.16 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 3cr9 s VAL 439 CO 0.10 -0.08 0.77 -0.13 -0.31 0.00 0.00 175.10 175.45 3cr9 s ARG 440 N -4.03 4.55 0.29 4.82 0.52 -1.26 -2.22 118.95 121.61 3cr9 s ARG 440 Ca 0.24 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 3cr9 s ARG 440 Cb 0.02 -3.28 0.73 0.00 0.52 0.00 0.00 34.95 32.94 3cr9 s ARG 440 CO 0.07 0.53 1.65 -0.22 0.02 0.00 0.00 175.30 177.35 3cr9 h LYS 441 N 4.53 0.21 0.00 3.54 3.64 -1.31 -2.33 116.57 124.85 3cr9 h LYS 441 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3cr9 h LYS 441 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3cr9 h LYS 441 CO 0.67 0.14 0.00 0.45 -2.27 0.00 0.00 179.45 178.43 3cr9 n SER 442 N -5.22 0.00 -4.55 4.20 2.88 -1.26 -3.58 113.62 106.08 3cr9 n SER 442 Ca 0.22 0.84 -0.34 0.00 -1.33 0.00 0.00 58.87 58.26 3cr9 n SER 442 Cb 0.70 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 3cr9 n SER 442 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3cr9 s ASP 443 N -2.83 4.67 0.00 -3.46 1.01 -0.88 -4.63 116.67 110.54 3cr9 s ASP 443 Ca 0.00 0.66 0.23 0.00 0.71 0.00 0.00 52.55 54.15 3cr9 s ASP 443 Cb 0.00 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.45 3cr9 s ASP 443 CO 0.00 -2.82 1.10 0.00 0.21 0.00 0.00 175.17 173.66 3cr9 n ALA 444 N 15.13 4.03 0.13 5.23 0.00 -1.24 -4.06 120.51 139.74 3cr9 n ALA 444 Ca 0.33 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 3cr9 n ALA 444 Cb 0.53 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 3cr9 n ALA 444 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cr9 h ASP 445 N 0.97 -0.21 -1.95 0.00 5.19 -1.91 -3.44 116.42 115.06 3cr9 h ASP 445 Ca 0.00 -0.03 -0.64 0.00 -0.62 0.00 0.00 57.03 55.74 3cr9 h ASP 445 Cb 0.59 0.05 0.05 0.00 0.18 0.00 0.00 39.33 40.20 3cr9 h ASP 445 CO 0.00 -0.11 0.74 -0.11 -3.12 0.00 0.00 179.24 176.63 3cr9 n LEU 446 N -5.18 2.57 -3.85 1.55 7.94 -1.26 -5.02 117.00 113.75 3cr9 n LEU 446 Ca -0.09 1.08 -0.11 0.00 -1.11 0.00 0.00 56.01 55.77 3cr9 n LEU 446 Cb 0.14 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 42.68 3cr9 n LEU 446 CO 0.34 -0.53 -0.15 0.28 -1.11 0.00 0.00 177.39 176.22 3cr9 s THR 447 N 1.53 0.07 0.32 1.96 -1.32 -1.26 -5.01 115.64 111.93 3cr9 s THR 447 Ca 0.85 -0.58 0.07 0.00 -1.21 0.00 0.00 61.69 60.82 3cr9 s THR 447 Cb -0.82 -0.43 0.39 0.00 -1.51 0.00 0.00 72.50 70.14 3cr9 s THR 447 CO 0.46 -0.32 1.52 1.87 -2.21 0.00 0.00 174.62 175.95 3cr9 n TRP 448 N 1.64 0.76 0.70 9.09 -0.00 -1.26 0.30 117.44 128.67 3cr9 n TRP 448 Ca -0.21 1.16 0.05 0.00 -0.00 0.00 0.00 57.50 58.50 3cr9 n TRP 448 Cb 0.56 -1.32 0.30 0.00 -0.00 0.00 0.00 31.31 30.86 3cr9 n TRP 448 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3cr9 n ASN 449 N -5.38 0.00 -0.02 5.87 5.03 -1.26 -2.26 115.26 117.24 3cr9 n ASN 449 Ca 0.27 -0.38 0.01 0.00 0.87 0.00 0.00 54.58 55.35 3cr9 n ASN 449 Cb 0.88 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.66 3cr9 n ASN 449 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3cr9 n SER 450 N -0.95 1.79 0.13 6.41 2.88 0.89 -4.76 113.62 120.01 3cr9 n SER 450 Ca 0.08 -2.04 0.05 0.00 -1.33 0.00 0.00 58.87 55.63 3cr9 n SER 450 Cb 0.03 -0.06 0.51 0.00 -0.75 0.00 0.00 64.21 63.94 3cr9 n SER 450 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3cr9 h LEU 451 N 0.00 0.24 -8.73 2.46 3.38 -1.41 -3.42 115.31 107.83 3cr9 h LEU 451 Ca 0.00 -0.01 -0.84 0.00 0.09 0.00 0.00 57.88 57.12 3cr9 h LEU 451 Cb 0.64 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3cr9 h LEU 451 CO 0.00 0.20 0.88 -0.24 0.09 0.00 0.00 178.44 179.38 3cr9 n SER 452 N -4.47 1.15 0.00 -0.43 2.88 -1.26 0.75 113.62 112.23 3cr9 n SER 452 Ca -0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3cr9 n SER 452 Cb 0.10 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3cr9 n SER 452 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cr9 n GLY 453 N 5.00 0.90 3.98 0.46 0.00 -0.34 -4.94 105.19 110.25 3cr9 n GLY 453 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 3cr9 n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cr9 s LYS 454 N -0.02 2.68 0.10 1.61 3.01 0.23 -3.55 119.74 123.80 3cr9 s LYS 454 Ca 0.00 -0.85 -0.28 0.00 -1.01 0.00 0.00 55.97 53.83 3cr9 s LYS 454 Cb 0.00 -2.56 -0.06 0.00 -1.01 0.00 0.00 37.83 34.20 3cr9 s LYS 454 CO 0.00 -0.55 0.89 0.15 0.51 0.00 0.00 175.35 176.35 3cr9 s LYS 455 N -4.64 4.64 0.06 1.68 1.02 -1.26 -1.85 119.74 119.39 3cr9 s LYS 455 Ca 0.55 1.32 0.08 0.00 0.02 0.00 0.00 55.97 57.94 3cr9 s LYS 455 Cb -0.10 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 3cr9 s LYS 455 CO 0.37 0.28 -0.24 -1.54 -0.92 0.00 0.00 175.35 173.30 3cr9 s SER 456 N -0.17 2.83 -0.23 2.83 1.04 -0.55 -1.24 113.70 118.20 3cr9 s SER 456 Ca 0.43 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3cr9 s SER 456 Cb -0.23 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.70 3cr9 s SER 456 CO 0.28 0.19 -0.12 0.00 0.98 0.00 0.00 173.24 174.57 3cr9 s HIS 458 N 1.25 2.67 0.33 0.00 3.76 -0.30 -1.65 115.29 121.36 3cr9 s HIS 458 Ca -0.01 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 3cr9 s HIS 458 Cb -0.16 -1.44 0.57 0.00 1.11 0.00 0.00 32.58 32.65 3cr9 s HIS 458 CO -0.07 0.37 1.95 1.79 -0.85 0.00 0.00 174.74 177.93 3cr9 h THR 459 N 3.53 1.18 0.00 1.30 1.35 -1.79 -3.41 112.91 115.08 3cr9 h THR 459 Ca -0.49 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3cr9 h THR 459 Cb 1.16 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3cr9 h THR 459 CO 0.50 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3cr9 n GLY 460 N -1.22 2.99 3.75 5.82 0.00 -1.26 -2.06 105.19 113.22 3cr9 n GLY 460 Ca 0.05 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 3cr9 n GLY 460 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cr9 s VAL 461 N -2.00 3.73 0.00 1.61 -7.23 -0.75 -3.33 120.40 112.43 3cr9 s VAL 461 Ca 0.00 1.72 0.00 0.00 -1.81 0.00 0.00 61.98 61.89 3cr9 s VAL 461 Cb 0.00 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.84 3cr9 s VAL 461 CO 0.00 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 3cr9 n GLY 462 N 1.36 3.36 3.83 2.32 0.00 -1.26 -4.96 105.19 109.84 3cr9 n GLY 462 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3cr9 n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cr9 s ARG 463 N -0.89 4.13 0.00 1.61 0.52 -1.21 -4.20 118.95 118.91 3cr9 s ARG 463 Ca 0.00 0.80 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 3cr9 s ARG 463 Cb 0.00 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3cr9 s ARG 463 CO 0.00 0.21 0.56 2.41 0.02 0.00 0.00 175.30 178.50 3cr9 n THR 464 N -0.03 0.00 -0.30 0.02 -1.04 -1.26 -1.39 114.28 110.28 3cr9 n THR 464 Ca 0.02 1.06 0.13 0.00 -2.04 0.00 0.00 64.05 63.22 3cr9 n THR 464 Cb 0.52 -1.99 0.30 0.00 -1.82 0.00 0.00 70.33 67.34 3cr9 n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cr9 h ALA 465 N -1.98 1.33 -3.00 2.41 0.00 -1.94 -2.10 119.26 113.97 3cr9 h ALA 465 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cr9 h ALA 465 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3cr9 h ALA 465 CO 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3cr9 n ALA 466 N -2.63 0.00 0.00 0.00 0.00 -1.25 -4.38 120.51 112.25 3cr9 n ALA 466 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3cr9 n ALA 466 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3cr9 n ALA 466 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3cr9 n TRP 467 N 0.00 0.00 -0.14 0.00 -0.00 -1.19 -2.62 117.44 113.48 3cr9 n TRP 467 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3cr9 n TRP 467 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 3cr9 n TRP 467 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 3cr9 n ASN 468 N 0.00 -0.23 0.02 5.87 4.13 -0.48 -0.43 115.26 124.14 3cr9 n ASN 468 Ca 0.00 0.66 -0.19 0.00 1.68 0.00 0.00 54.58 56.73 3cr9 n ASN 468 Cb 0.00 -0.16 -0.12 0.00 -1.54 0.00 0.00 39.78 37.96 3cr9 n ASN 468 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3cr9 h ILE 469 N 0.00 1.45 -0.01 2.41 1.08 -1.13 -1.67 117.51 119.64 3cr9 h ILE 469 Ca 0.14 -2.25 -0.06 0.00 -0.39 0.00 0.00 64.86 62.30 3cr9 h ILE 469 Cb 0.23 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 3cr9 h ILE 469 CO -0.38 0.65 -0.22 1.55 -0.69 0.00 0.00 178.15 179.06 3cr9 h PRO 470 N -0.18 0.17 0.00 2.37 0.13 -1.36 -2.85 132.00 130.29 3cr9 h PRO 470 Ca -0.10 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3cr9 h PRO 470 Cb 1.46 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.63 3cr9 h PRO 470 CO 0.14 0.88 -0.03 0.52 -0.23 0.00 0.00 178.00 179.27 3cr9 h MET 471 N -0.47 0.00 -0.14 0.86 2.86 -0.91 0.12 114.93 117.26 3cr9 h MET 471 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3cr9 h MET 471 Cb 0.94 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 3cr9 h MET 471 CO 0.04 0.03 -0.15 0.78 1.06 0.00 0.00 176.91 178.67 3cr9 h GLY 472 N 0.21 0.38 2.00 8.32 0.00 -1.28 -1.59 103.07 111.11 3cr9 h GLY 472 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3cr9 h GLY 472 CO 0.00 0.36 -0.45 1.41 0.00 0.00 0.00 176.54 177.86 3cr9 h LEU 473 N -0.04 0.00 0.16 3.11 3.38 -1.04 -3.06 115.31 117.82 3cr9 h LEU 473 Ca 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 3cr9 h LEU 473 Cb 0.69 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 3cr9 h LEU 473 CO 0.04 0.45 -1.33 -0.07 0.09 0.00 0.00 178.44 177.62 3cr9 h LEU 474 N 0.00 0.84 -1.87 1.67 3.38 -0.78 -3.15 115.31 115.40 3cr9 h LEU 474 Ca -0.00 -0.83 0.04 0.00 0.09 0.00 0.00 57.88 57.18 3cr9 h LEU 474 Cb 0.97 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3cr9 h LEU 474 CO 0.06 1.63 0.17 0.15 0.09 0.00 0.00 178.44 180.54 3cr9 h PHE 475 N 0.22 0.16 -0.32 1.13 3.57 -1.29 0.19 116.94 120.60 3cr9 h PHE 475 Ca -0.21 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.18 3cr9 h PHE 475 Cb 2.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.68 3cr9 h PHE 475 CO 0.12 0.09 -0.26 -0.97 -2.23 0.00 0.00 178.31 175.06 3cr9 h ASN 476 N 0.16 0.66 0.90 0.41 -1.24 -1.51 0.13 115.58 115.09 3cr9 h ASN 476 Ca 0.11 -0.24 -0.22 0.00 0.71 0.00 0.00 56.30 56.66 3cr9 h ASN 476 Cb 0.23 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 3cr9 h ASN 476 CO -0.02 0.89 -1.16 1.56 -1.29 0.00 0.00 177.43 177.42 3cr9 h GLN 477 N 0.56 0.00 -0.00 6.67 4.20 -1.07 -3.38 115.11 122.10 3cr9 h GLN 477 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3cr9 h GLN 477 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3cr9 h GLN 477 CO 0.06 0.78 -0.39 0.25 -0.67 0.00 0.00 178.83 178.86 3cr9 n THR 478 N -3.24 0.00 -1.53 -0.54 -2.24 -0.11 -4.99 114.28 101.64 3cr9 n THR 478 Ca -0.05 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3cr9 n THR 478 Cb 0.94 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 70.17 3cr9 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cr9 n GLY 479 N 1.15 0.71 3.47 3.38 0.00 0.44 -4.91 105.19 109.43 3cr9 n GLY 479 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3cr9 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cr9 s SER 480 N -1.92 4.49 0.00 1.61 0.15 -1.26 -4.99 113.70 111.79 3cr9 s SER 480 Ca 0.00 -0.17 0.28 0.00 0.70 0.00 0.00 55.95 56.75 3cr9 s SER 480 Cb 0.00 -1.57 0.98 0.00 -1.71 0.00 0.00 66.02 63.72 3cr9 s SER 480 CO 0.00 0.21 1.72 0.00 1.20 0.00 0.00 173.24 176.37 3cr9 s LYS 482 N -2.69 3.61 0.51 0.00 1.02 -1.26 -4.72 119.74 116.21 3cr9 s LYS 482 Ca 0.21 -1.80 0.28 0.00 0.02 0.00 0.00 55.97 54.69 3cr9 s LYS 482 Cb 0.19 -5.47 1.32 0.00 -0.52 0.00 0.00 37.83 33.36 3cr9 s LYS 482 CO 0.54 -2.70 2.00 0.74 -0.92 0.00 0.00 175.35 175.02 3cr9 h PHE 483 N 8.10 0.00 -0.14 3.18 0.04 -2.02 -2.88 116.94 123.22 3cr9 h PHE 483 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 3cr9 h PHE 483 Cb 0.89 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 3cr9 h PHE 483 CO 1.37 0.14 0.00 -0.40 -0.60 0.00 0.00 178.31 178.82 3cr9 n ASP 484 N -3.46 0.92 -0.00 2.17 5.75 -1.26 -3.84 116.55 116.83 3cr9 n ASP 484 Ca -0.01 -1.82 0.02 0.00 -0.01 0.00 0.00 54.79 52.96 3cr9 n ASP 484 Cb 0.30 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 3cr9 n ASP 484 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3cr9 n LYS 485 N -0.07 4.16 0.18 0.11 5.02 -1.09 -4.67 118.16 121.80 3cr9 n LYS 485 Ca 0.10 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 3cr9 n LYS 485 Cb 0.17 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 3cr9 n LYS 485 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3cr9 h PHE 486 N 0.00 -0.43 -3.58 2.13 3.04 -1.67 -3.42 116.94 113.00 3cr9 h PHE 486 Ca 0.00 -0.01 -0.51 0.00 3.98 0.00 0.00 57.97 61.43 3cr9 h PHE 486 Cb 0.10 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 3cr9 h PHE 486 CO 0.00 -0.27 0.43 -0.06 -2.02 0.00 0.00 178.31 176.39 3cr9 s PHE 487 N -3.47 3.69 0.14 0.41 0.08 -1.26 -1.19 117.98 116.38 3cr9 s PHE 487 Ca -0.07 1.68 -0.22 0.00 0.12 0.00 0.00 56.93 58.44 3cr9 s PHE 487 Cb 0.01 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.28 3cr9 s PHE 487 CO 0.20 -0.28 1.64 1.03 -0.10 0.00 0.00 175.22 177.72 3cr9 h SER 488 N 5.18 -0.67 -5.10 1.36 0.87 -1.41 -3.44 113.55 110.33 3cr9 h SER 488 Ca -0.44 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.13 3cr9 h SER 488 Cb 1.21 0.32 -0.17 0.00 -0.44 0.00 0.00 62.40 63.32 3cr9 h SER 488 CO 0.72 -0.26 -0.45 -1.10 -0.53 0.00 0.00 176.83 175.21 3cr9 s GLN 489 N -6.10 0.68 0.26 2.24 -0.21 -1.26 -4.95 119.66 110.31 3cr9 s GLN 489 Ca -0.15 -0.77 -0.20 0.00 0.02 0.00 0.00 55.36 54.26 3cr9 s GLN 489 Cb 0.11 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.42 3cr9 s GLN 489 CO 0.68 -0.19 0.67 -1.12 -2.12 0.00 0.00 175.29 173.21 3cr9 s SER 490 N -2.29 -0.28 -0.16 5.90 0.01 -0.56 -1.48 113.70 114.84 3cr9 s SER 490 Ca -0.02 -0.57 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 3cr9 s SER 490 Cb 0.01 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.96 3cr9 s SER 490 CO -0.06 -1.27 -0.08 0.00 0.41 0.00 0.00 173.24 172.24 3cr9 s ALA 492 N 1.57 0.52 0.12 0.00 0.00 0.13 -1.15 121.76 122.95 3cr9 s ALA 492 Ca 0.02 -1.76 -0.35 0.00 0.00 0.00 0.00 51.96 49.88 3cr9 s ALA 492 Cb -0.15 -1.80 -0.17 0.00 0.00 0.00 0.00 23.12 21.00 3cr9 s ALA 492 CO -0.08 -2.08 1.08 -2.30 0.00 0.00 0.00 175.76 172.37 3cr9 n PRO 493 N 3.55 0.69 0.00 0.00 -0.02 -1.26 -2.38 135.00 135.57 3cr9 n PRO 493 Ca 0.19 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3cr9 n PRO 493 Cb 0.45 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3cr9 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cr9 n GLY 494 N 1.95 2.31 3.72 -1.23 0.00 0.78 -1.80 105.19 110.92 3cr9 n GLY 494 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3cr9 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cr9 s ALA 495 N -2.17 1.24 -0.20 4.61 0.00 -1.00 -4.93 121.76 119.30 3cr9 s ALA 495 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 3cr9 s ALA 495 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3cr9 s ALA 495 CO 0.00 -3.14 1.85 0.34 0.00 0.00 0.00 175.76 174.81 3cr9 s ASP 496 N -4.28 6.07 0.53 0.00 2.15 -1.26 -4.85 116.67 115.03 3cr9 s ASP 496 Ca 0.72 1.78 0.13 0.00 0.43 0.00 0.00 52.55 55.61 3cr9 s ASP 496 Cb -0.07 -2.53 0.69 0.00 -0.30 0.00 0.00 42.92 40.71 3cr9 s ASP 496 CO 0.55 -1.48 1.32 1.55 -0.17 0.00 0.00 175.17 176.94 3cr9 h PRO 497 N 12.16 0.00 -0.18 4.34 0.13 -1.94 0.69 132.00 147.20 3cr9 h PRO 497 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3cr9 h PRO 497 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3cr9 h PRO 497 CO 0.99 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.80 3cr9 n GLN 498 N -2.39 2.03 -3.37 0.86 6.02 -1.26 -4.87 117.38 114.41 3cr9 n GLN 498 Ca -0.01 -1.90 -0.24 0.00 -0.01 0.00 0.00 57.00 54.84 3cr9 n GLN 498 Cb 0.60 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 3cr9 n GLN 498 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3cr9 s SER 499 N -1.49 6.29 0.65 1.08 0.01 0.24 -4.97 113.70 115.51 3cr9 s SER 499 Ca 0.28 0.45 0.39 0.00 1.31 0.00 0.00 55.95 58.38 3cr9 s SER 499 Cb 0.18 -2.02 2.19 0.00 0.21 0.00 0.00 66.02 66.57 3cr9 s SER 499 CO 0.26 -0.30 2.29 0.77 0.41 0.00 0.00 173.24 176.67 3cr9 h SER 500 N 0.74 0.00 0.32 2.44 4.64 -1.86 -1.00 113.55 118.83 3cr9 h SER 500 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3cr9 h SER 500 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cr9 h SER 500 CO 0.61 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.50 3cr9 h LEU 501 N 0.00 0.00 -2.17 5.97 3.38 -1.86 -0.92 115.31 119.71 3cr9 h LEU 501 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cr9 h LEU 501 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3cr9 h LEU 501 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3cr9 h ALA 503 N 2.47 -0.09 0.00 0.00 0.00 -0.15 -3.09 119.26 118.39 3cr9 h ALA 503 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cr9 h ALA 503 Cb 0.66 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3cr9 h ALA 503 CO 0.00 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.94 3cr9 n LEU 504 N -5.23 0.45 -4.73 0.00 4.77 -0.54 -4.89 117.00 106.82 3cr9 n LEU 504 Ca -0.05 0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 56.10 3cr9 n LEU 504 Cb 0.16 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3cr9 n LEU 504 CO 0.27 -0.11 0.90 0.00 -1.33 0.00 0.00 177.39 177.12 3cr9 n VAL 506 N -1.85 0.00 -4.64 0.00 0.31 -1.26 -4.79 118.33 106.10 3cr9 n VAL 506 Ca 0.16 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3cr9 n VAL 506 Cb 0.48 1.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.43 3cr9 n VAL 506 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cr9 n GLY 507 N 0.90 -1.17 0.00 2.92 0.00 -1.26 -4.49 105.19 102.09 3cr9 n GLY 507 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3cr9 n GLY 507 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cr9 n ASN 508 N -1.61 0.00 -0.20 1.61 5.03 0.58 -3.00 115.26 117.68 3cr9 n ASN 508 Ca 0.00 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.37 3cr9 n ASN 508 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 3cr9 n ASN 508 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3cr9 h ASN 509 N 0.00 0.87 -0.67 6.41 2.35 -1.88 -2.06 115.58 120.60 3cr9 h ASN 509 Ca 0.00 -0.24 -0.41 0.00 -0.55 0.00 0.00 56.30 55.10 3cr9 h ASN 509 Cb 0.00 -0.23 -0.20 0.00 0.05 0.00 0.00 38.32 37.94 3cr9 h ASN 509 CO 0.00 0.89 0.53 -0.62 -1.65 0.00 0.00 177.43 176.58 3cr9 n GLU 510 N -4.37 2.00 -3.80 0.81 1.02 -1.26 -4.89 120.64 110.16 3cr9 n GLU 510 Ca 0.03 -2.12 -0.28 0.00 -0.02 0.00 0.00 57.16 54.76 3cr9 n GLU 510 Cb 0.25 -1.83 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 3cr9 n GLU 510 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3cr9 n ASN 511 N -0.33 -2.11 -4.96 1.62 3.02 -0.78 -4.97 115.26 106.76 3cr9 n ASN 511 Ca 0.41 -0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 54.12 3cr9 n ASN 511 Cb 0.90 -1.83 -0.02 0.00 -0.61 0.00 0.00 39.78 38.23 3cr9 n ASN 511 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3cr9 s GLU 512 N -6.44 3.23 -1.16 3.52 0.41 -1.26 -4.66 118.70 112.35 3cr9 s GLU 512 Ca 0.54 -0.91 -0.23 0.00 -0.41 0.00 0.00 54.97 53.96 3cr9 s GLU 512 Cb -0.31 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 3cr9 s GLU 512 CO 0.67 0.27 0.77 0.09 -0.49 0.00 0.00 175.26 176.57 3cr9 n ASN 513 N -1.47 -5.02 -4.72 -0.19 5.03 -1.26 -0.30 115.26 107.32 3cr9 n ASN 513 Ca -0.05 -1.07 -0.42 0.00 0.87 0.00 0.00 54.58 53.91 3cr9 n ASN 513 Cb 0.58 -3.07 -0.03 0.00 -1.02 0.00 0.00 39.78 36.23 3cr9 n ASN 513 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3cr9 s LYS 514 N -6.25 4.35 0.00 3.52 2.20 -1.26 -3.37 119.74 118.93 3cr9 s LYS 514 Ca 0.47 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 3cr9 s LYS 514 Cb -0.18 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3cr9 s LYS 514 CO 0.88 -0.37 0.00 0.00 -0.36 0.00 0.00 175.35 175.50 3cr9 n MET 516 N -2.00 2.51 -2.05 0.00 1.56 -1.22 -0.16 117.12 115.76 3cr9 n MET 516 Ca 0.00 0.88 -0.42 0.00 -0.27 0.00 0.00 57.70 57.89 3cr9 n MET 516 Cb 0.00 -2.58 0.00 0.00 2.15 0.00 0.00 33.22 32.80 3cr9 n MET 516 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3cr9 n PRO 517 N 0.76 3.29 -3.78 2.12 -0.04 -1.26 -4.49 135.00 131.59 3cr9 n PRO 517 Ca 0.04 -3.10 -0.03 0.00 -0.04 0.00 0.00 63.50 60.36 3cr9 n PRO 517 Cb 0.37 -3.08 -0.00 0.00 -0.04 0.00 0.00 33.50 30.75 3cr9 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cr9 s ASN 518 N 1.90 -0.11 0.54 3.54 2.20 -1.26 -4.57 114.94 117.17 3cr9 s ASN 518 Ca 0.43 -0.48 0.40 0.00 -0.94 0.00 0.00 52.86 52.27 3cr9 s ASN 518 Cb 0.12 0.48 1.59 0.00 -2.00 0.00 0.00 41.25 41.45 3cr9 s ASN 518 CO -0.04 -0.92 1.73 0.77 -2.94 0.00 0.00 177.10 175.70 3cr9 h SER 519 N 2.00 0.02 -0.41 3.54 4.64 -1.89 -1.38 113.55 120.08 3cr9 h SER 519 Ca -0.26 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3cr9 h SER 519 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3cr9 h SER 519 CO 0.29 -0.00 0.34 -0.08 -0.87 0.00 0.00 176.83 176.50 3cr9 h GLU 520 N 0.02 0.00 -5.63 4.77 4.57 -1.94 -3.35 114.58 113.02 3cr9 h GLU 520 Ca 0.69 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 58.23 3cr9 h GLU 520 Cb 2.72 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 31.17 3cr9 h GLU 520 CO -0.03 0.00 0.26 -2.00 -1.18 0.00 0.00 179.01 176.06 3cr9 s GLU 521 N -4.87 3.41 0.62 1.92 2.56 -0.52 -2.26 118.70 119.55 3cr9 s GLU 521 Ca -0.05 -0.16 0.33 0.00 0.00 0.00 0.00 54.97 55.09 3cr9 s GLU 521 Cb 0.18 -3.92 1.86 0.00 2.00 0.00 0.00 34.13 34.25 3cr9 s GLU 521 CO 0.66 -1.03 2.17 0.00 -0.56 0.00 0.00 175.26 176.50 3cr9 h ARG 522 N 8.87 0.00 -0.61 4.30 3.08 -1.68 -0.12 114.38 128.23 3cr9 h ARG 522 Ca -0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 3cr9 h ARG 522 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 3cr9 h ARG 522 CO 0.92 0.00 0.05 0.66 -1.07 0.00 0.00 179.97 180.54 3cr9 n TYR 523 N -3.55 2.16 -3.28 3.04 4.02 -1.26 -4.41 117.16 113.87 3cr9 n TYR 523 Ca -0.01 -0.82 -0.32 0.00 -0.01 0.00 0.00 57.90 56.74 3cr9 n TYR 523 Cb 0.22 -0.55 -0.05 0.00 -0.02 0.00 0.00 39.34 38.94 3cr9 n TYR 523 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3cr9 s TYR 524 N -2.82 3.42 0.05 -0.72 5.04 -0.06 -3.07 117.35 119.19 3cr9 s TYR 524 Ca 0.55 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 3cr9 s TYR 524 Cb 0.42 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 40.40 3cr9 s TYR 524 CO 0.15 0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.95 3cr9 n GLY 525 N -0.37 -1.44 0.23 8.97 0.00 -0.87 -0.57 105.19 111.14 3cr9 n GLY 525 Ca 0.01 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 3cr9 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3cr9 h TYR 526 N -0.21 -0.48 -0.37 1.61 0.05 -1.92 0.89 116.97 116.54 3cr9 h TYR 526 Ca 0.00 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3cr9 h TYR 526 Cb 0.20 0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 3cr9 h TYR 526 CO -0.47 -0.26 0.15 1.15 -1.05 0.00 0.00 178.16 177.67 3cr9 h THR 527 N -0.18 1.19 -0.55 -2.88 2.02 -1.90 -1.34 112.91 109.26 3cr9 h THR 527 Ca 0.13 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3cr9 h THR 527 Cb 0.39 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3cr9 h THR 527 CO -0.35 0.21 0.18 1.23 0.37 0.00 0.00 175.52 177.16 3cr9 h GLY 528 N 0.45 0.91 1.00 2.16 0.00 0.02 -1.43 103.07 106.18 3cr9 h GLY 528 Ca 0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3cr9 h GLY 528 CO -0.01 0.50 -0.21 0.00 0.00 0.00 0.00 176.54 176.81 3cr9 h ALA 529 N 1.04 -0.60 -0.88 3.60 0.00 0.93 -0.82 119.26 122.52 3cr9 h ALA 529 Ca 0.18 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3cr9 h ALA 529 Cb 0.27 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 3cr9 h ALA 529 CO -0.01 -0.83 0.48 0.35 0.00 0.00 0.00 179.25 179.24 3cr9 h PHE 530 N -0.61 0.84 -0.74 0.00 3.57 -1.14 -0.02 116.94 118.85 3cr9 h PHE 530 Ca -0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3cr9 h PHE 530 Cb 0.46 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3cr9 h PHE 530 CO -0.04 0.21 0.21 -0.09 -2.23 0.00 0.00 178.31 176.37 3cr9 h ARG 531 N 0.67 1.15 -0.14 1.11 2.43 -0.86 -0.09 114.38 118.66 3cr9 h ARG 531 Ca 0.48 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3cr9 h ARG 531 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3cr9 h ARG 531 CO -0.36 0.99 0.25 0.00 -1.51 0.00 0.00 179.97 179.34 3cr9 h LEU 533 N 0.00 0.00 -0.82 0.00 5.85 -0.70 -0.54 115.31 119.09 3cr9 h LEU 533 Ca 0.07 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3cr9 h LEU 533 Cb 0.56 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 3cr9 h LEU 533 CO -0.00 0.91 0.49 0.00 -0.34 0.00 0.00 178.44 179.49 3cr9 h ALA 534 N -0.51 1.15 -0.00 1.25 0.00 -0.05 0.15 119.26 121.25 3cr9 h ALA 534 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cr9 h ALA 534 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cr9 h ALA 534 CO -0.04 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3cr9 n GLU 535 N -4.69 1.00 -2.59 0.00 1.02 0.58 -4.87 120.64 111.09 3cr9 n GLU 535 Ca 0.13 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 3cr9 n GLU 535 Cb 0.22 -1.12 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3cr9 n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3cr9 n LYS 536 N -0.38 -2.48 0.13 3.49 5.02 0.52 -4.84 118.16 119.62 3cr9 n LYS 536 Ca 0.00 0.65 0.04 0.00 -2.02 0.00 0.00 58.31 56.99 3cr9 n LYS 536 Cb 0.06 -5.29 0.03 0.00 -0.02 0.00 0.00 35.03 29.81 3cr9 n LYS 536 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cr9 h ALA 537 N 1.00 0.71 -2.13 7.82 0.00 -1.34 -3.46 119.26 121.86 3cr9 h ALA 537 Ca -0.35 -0.41 -0.43 0.00 0.00 0.00 0.00 54.91 53.72 3cr9 h ALA 537 Cb 1.25 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 3cr9 h ALA 537 CO 0.41 0.52 -0.64 0.20 0.00 0.00 0.00 179.25 179.75 3cr9 s GLY 538 N -4.47 1.81 -0.17 0.00 0.00 -0.56 -4.92 107.32 99.01 3cr9 s GLY 538 Ca 0.03 -1.91 0.15 0.00 0.00 0.00 0.00 44.72 42.99 3cr9 s GLY 538 CO 0.75 -1.75 0.05 1.22 0.00 0.00 0.00 173.10 173.38 3cr9 n ASP 539 N -0.55 0.73 -4.07 1.64 9.92 -0.38 -4.66 116.55 119.19 3cr9 n ASP 539 Ca -0.04 -0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.03 3cr9 n ASP 539 Cb 0.65 0.90 -0.14 0.00 -0.64 0.00 0.00 41.12 41.89 3cr9 n ASP 539 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3cr9 s VAL 540 N -2.42 0.86 -0.05 2.53 0.11 -0.90 -4.43 120.40 116.10 3cr9 s VAL 540 Ca -0.09 -0.67 0.04 0.00 -2.93 0.00 0.00 61.98 58.33 3cr9 s VAL 540 Cb 0.05 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3cr9 s VAL 540 CO 0.71 0.09 -0.16 0.00 -3.33 0.00 0.00 175.10 172.41 3cr9 s ALA 541 N -0.54 1.45 -0.38 1.54 0.00 0.24 -1.45 121.76 122.63 3cr9 s ALA 541 Ca 0.02 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 3cr9 s ALA 541 Cb -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3cr9 s ALA 541 CO 0.00 0.23 0.27 -0.06 0.00 0.00 0.00 175.76 176.21 3cr9 s PHE 542 N 0.19 3.23 0.22 0.00 0.08 -0.66 -0.18 117.98 120.87 3cr9 s PHE 542 Ca -0.07 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.52 3cr9 s PHE 542 Cb -0.12 -2.54 0.02 0.00 -0.57 0.00 0.00 43.02 39.81 3cr9 s PHE 542 CO 0.03 -0.48 0.38 1.33 -0.10 0.00 0.00 175.22 176.38 3cr9 n VAL 543 N 5.13 0.00 -3.51 -0.44 0.24 -0.76 -4.04 118.33 114.95 3cr9 n VAL 543 Ca -0.12 -0.82 -0.29 0.00 -2.04 0.00 0.00 64.34 61.07 3cr9 n VAL 543 Cb 0.48 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 3cr9 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3cr9 s LYS 544 N -2.26 3.61 0.21 7.34 -2.85 -1.26 0.20 119.74 124.73 3cr9 s LYS 544 Ca 0.13 -0.09 -0.19 0.00 -1.00 0.00 0.00 55.97 54.82 3cr9 s LYS 544 Cb -0.02 -2.74 0.19 0.00 -2.06 0.00 0.00 37.83 33.20 3cr9 s LYS 544 CO 0.10 0.32 1.56 0.38 0.10 0.00 0.00 175.35 177.81 3cr9 h ASP 545 N 2.04 -1.35 -0.63 0.03 2.03 -1.71 -1.71 116.42 115.12 3cr9 h ASP 545 Ca -0.47 0.28 0.13 0.00 -0.73 0.00 0.00 57.03 56.24 3cr9 h ASP 545 Cb 1.18 0.70 -0.04 0.00 -0.83 0.00 0.00 39.33 40.34 3cr9 h ASP 545 CO 0.68 -0.29 0.43 0.58 -1.03 0.00 0.00 179.24 179.61 3cr9 h VAL 546 N -0.06 0.81 -0.84 4.15 2.07 -1.95 -2.96 116.25 117.47 3cr9 h VAL 546 Ca 0.30 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.85 3cr9 h VAL 546 Cb 0.58 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 3cr9 h VAL 546 CO -0.87 0.05 0.45 0.74 0.02 0.00 0.00 177.57 177.96 3cr9 h THR 547 N 0.28 0.80 0.74 2.57 2.02 -1.70 -0.48 112.91 117.13 3cr9 h THR 547 Ca 0.30 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3cr9 h THR 547 Cb 0.80 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3cr9 h THR 547 CO -0.07 0.13 -0.36 0.58 0.37 0.00 0.00 175.52 176.17 3cr9 h VAL 548 N 0.69 0.10 -1.18 3.16 2.07 -1.66 -3.05 116.25 116.37 3cr9 h VAL 548 Ca 0.44 -0.23 0.36 0.00 0.82 0.00 0.00 66.70 68.10 3cr9 h VAL 548 Cb 0.55 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 30.32 3cr9 h VAL 548 CO -0.32 0.01 0.75 -0.07 0.02 0.00 0.00 177.57 177.96 3cr9 h LEU 549 N -1.20 0.35 -0.27 2.57 3.38 -1.45 0.10 115.31 118.78 3cr9 h LEU 549 Ca -0.10 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cr9 h LEU 549 Cb 0.78 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3cr9 h LEU 549 CO 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 178.44 178.60 3cr9 n GLN 550 N -4.73 1.19 0.00 1.13 6.02 -0.26 -3.96 117.38 116.76 3cr9 n GLN 550 Ca 0.33 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3cr9 n GLN 550 Cb 1.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.95 3cr9 n GLN 550 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3cr9 n ASN 551 N -0.67 0.35 -4.90 1.08 3.02 0.31 -3.97 115.26 110.48 3cr9 n ASN 551 Ca 0.23 -0.77 -0.21 0.00 -0.03 0.00 0.00 54.58 53.80 3cr9 n ASN 551 Cb 0.18 0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 3cr9 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cr9 s THR 552 N -0.16 2.52 -1.79 3.41 -4.23 -0.98 -4.36 115.64 110.05 3cr9 s THR 552 Ca 0.00 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3cr9 s THR 552 Cb 0.00 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 71.00 3cr9 s THR 552 CO 0.00 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.55 3cr9 n ASP 553 N -1.64 -5.89 0.00 3.99 8.00 0.13 -3.08 116.55 118.06 3cr9 n ASP 553 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3cr9 n ASP 553 Cb 0.62 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 3cr9 n ASP 553 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cr9 n GLY 554 N -1.00 0.59 0.37 0.44 0.00 -1.17 -4.89 105.19 99.54 3cr9 n GLY 554 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 3cr9 n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cr9 h LYS 555 N 1.73 1.29 -4.75 1.61 1.57 -1.81 -3.34 116.57 112.87 3cr9 h LYS 555 Ca 0.00 -0.10 -0.67 0.00 -1.87 0.00 0.00 60.65 58.01 3cr9 h LYS 555 Cb 0.06 -0.28 -0.20 0.00 0.08 0.00 0.00 32.23 31.89 3cr9 h LYS 555 CO 0.00 0.88 -0.51 1.21 -0.57 0.00 0.00 179.45 180.46 3cr9 s ASN 556 N -6.13 5.89 -0.21 0.86 3.04 -1.25 -4.96 114.94 112.18 3cr9 s ASN 556 Ca -0.13 -0.43 0.13 0.00 0.04 0.00 0.00 52.86 52.47 3cr9 s ASN 556 Cb 0.18 -2.09 0.73 0.00 -1.54 0.00 0.00 41.25 38.53 3cr9 s ASN 556 CO 0.82 -0.21 1.62 -1.54 -3.04 0.00 0.00 177.10 174.75 3cr9 n SER 557 N 5.06 5.21 -4.77 -4.21 3.41 -1.26 -1.86 113.62 115.21 3cr9 n SER 557 Ca -0.13 -2.81 -0.41 0.00 -0.26 0.00 0.00 58.87 55.27 3cr9 n SER 557 Cb 0.50 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3cr9 n SER 557 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3cr9 s GLU 558 N -2.53 4.42 0.06 4.33 2.02 -1.26 -4.53 118.70 121.21 3cr9 s GLU 558 Ca 0.49 2.12 -0.11 0.00 0.02 0.00 0.00 54.97 57.49 3cr9 s GLU 558 Cb 0.37 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 3cr9 s GLU 558 CO 0.15 -0.10 0.63 -2.30 0.02 0.00 0.00 175.26 173.66 3cr9 n PRO 559 N 0.92 -0.16 0.33 0.39 -0.02 -1.26 0.12 135.00 135.33 3cr9 n PRO 559 Ca -0.00 0.62 0.22 0.00 -2.02 0.00 0.00 63.50 62.31 3cr9 n PRO 559 Cb 0.42 -0.91 1.16 0.00 -0.02 0.00 0.00 33.50 34.15 3cr9 n PRO 559 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3cr9 h TRP 560 N 0.00 0.00 0.00 6.00 5.08 -1.96 -3.30 115.95 121.77 3cr9 h TRP 560 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 3cr9 h TRP 560 Cb 0.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.30 3cr9 h TRP 560 CO -0.44 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 176.72 3cr9 n ALA 561 N -2.05 0.00 0.00 0.11 0.00 0.32 -4.72 120.51 114.17 3cr9 n ALA 561 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cr9 n ALA 561 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3cr9 n ALA 561 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cr9 n LYS 562 N -1.10 0.00 0.01 0.00 4.81 -0.75 0.49 118.16 121.62 3cr9 n LYS 562 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 3cr9 n LYS 562 Cb 0.00 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.34 3cr9 n LYS 562 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3cr9 n ASP 563 N 0.00 0.05 -4.75 3.14 8.00 -1.26 -3.02 116.55 118.70 3cr9 n ASP 563 Ca 0.00 0.51 -0.32 0.00 0.71 0.00 0.00 54.79 55.69 3cr9 n ASP 563 Cb 0.00 -0.52 0.09 0.00 -0.02 0.00 0.00 41.12 40.66 3cr9 n ASP 563 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cr9 s LEU 564 N -3.11 3.16 -0.01 0.64 1.43 0.18 -4.86 118.68 116.11 3cr9 s LEU 564 Ca 0.06 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 3cr9 s LEU 564 Cb 0.09 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.77 3cr9 s LEU 564 CO 0.25 -2.06 0.00 -0.54 0.23 0.00 0.00 176.35 174.23 3cr9 s LYS 565 N -4.50 0.06 0.56 1.70 1.02 -1.26 0.21 119.74 117.53 3cr9 s LYS 565 Ca 0.65 0.03 0.45 0.00 0.02 0.00 0.00 55.97 57.12 3cr9 s LYS 565 Cb -0.20 -0.15 1.64 0.00 -0.52 0.00 0.00 37.83 38.61 3cr9 s LYS 565 CO 0.50 -0.04 1.65 0.37 -0.92 0.00 0.00 175.35 176.91 3cr9 h GLN 566 N 6.52 0.00 -0.37 1.68 4.15 -1.93 0.89 115.11 126.05 3cr9 h GLN 566 Ca -0.32 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 58.96 3cr9 h GLN 566 Cb 1.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 3cr9 h GLN 566 CO 0.50 0.00 -0.34 0.93 -1.93 0.00 0.00 178.83 177.99 3cr9 h GLU 567 N 0.00 0.83 0.00 1.69 4.39 -2.02 -3.17 114.58 116.30 3cr9 h GLU 567 Ca 0.78 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 60.08 3cr9 h GLU 567 Cb 3.19 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.84 3cr9 h GLU 567 CO -0.01 1.04 0.00 -0.25 -1.16 0.00 0.00 179.01 178.64 3cr9 n ASP 568 N -4.07 0.07 -4.14 1.42 8.00 0.31 -4.77 116.55 113.36 3cr9 n ASP 568 Ca -0.01 0.52 -0.25 0.00 0.71 0.00 0.00 54.79 55.76 3cr9 n ASP 568 Cb 0.51 -0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 3cr9 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3cr9 s PHE 569 N -3.04 1.54 0.09 1.24 0.08 -1.20 -0.87 117.98 115.82 3cr9 s PHE 569 Ca 0.04 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.79 3cr9 s PHE 569 Cb 0.07 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.47 3cr9 s PHE 569 CO 0.19 -0.07 -0.09 -1.83 -0.10 0.00 0.00 175.22 173.33 3cr9 s GLU 570 N -0.26 0.80 0.21 0.44 -1.05 -0.94 -3.55 118.70 114.35 3cr9 s GLU 570 Ca 0.03 -1.15 -0.03 0.00 -0.15 0.00 0.00 54.97 53.67 3cr9 s GLU 570 Cb -0.08 -0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 33.15 3cr9 s GLU 570 CO 0.00 0.05 0.44 -0.51 0.95 0.00 0.00 175.26 176.19 3cr9 s LEU 571 N -2.49 4.19 -0.35 1.83 1.43 -0.06 -2.55 118.68 120.69 3cr9 s LEU 571 Ca 0.05 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3cr9 s LEU 571 Cb -0.02 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 3cr9 s LEU 571 CO -0.01 -0.06 0.24 -0.76 0.23 0.00 0.00 176.35 175.99 3cr9 s LEU 572 N -3.19 4.56 0.35 1.79 1.43 -0.56 -2.33 118.68 120.73 3cr9 s LEU 572 Ca 0.41 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3cr9 s LEU 572 Cb -0.11 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 3cr9 s LEU 572 CO 0.28 -0.26 0.73 0.00 0.23 0.00 0.00 176.35 177.33 3cr9 h LEU 574 N 1.78 0.00 -3.70 0.00 3.38 -1.87 -1.95 115.31 112.95 3cr9 h LEU 574 Ca -0.47 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.01 3cr9 h LEU 574 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 3cr9 h LEU 574 CO 0.65 0.00 0.63 -0.90 0.09 0.00 0.00 178.44 178.91 3cr9 n ASP 575 N -3.42 6.36 0.00 -0.43 5.75 -1.26 -4.85 116.55 118.70 3cr9 n ASP 575 Ca -0.02 -3.40 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 3cr9 n ASP 575 Cb 0.18 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 3cr9 n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cr9 n GLY 576 N -0.42 0.23 3.89 6.12 0.00 -0.73 -4.95 105.19 109.33 3cr9 n GLY 576 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 3cr9 n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cr9 s THR 577 N -1.45 1.97 -0.08 2.61 2.01 -1.24 -4.80 115.64 114.65 3cr9 s THR 577 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3cr9 s THR 577 Cb 0.00 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.60 3cr9 s THR 577 CO 0.00 0.00 0.18 -0.13 -0.69 0.00 0.00 174.62 173.98 3cr9 s ARG 578 N -5.77 0.13 0.22 4.92 0.52 -1.26 -1.64 118.95 116.07 3cr9 s ARG 578 Ca 0.71 0.44 0.07 0.00 -0.52 0.00 0.00 55.73 56.43 3cr9 s ARG 578 Cb -0.06 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.20 3cr9 s ARG 578 CO 0.53 -0.17 -0.12 0.15 0.02 0.00 0.00 175.30 175.71 3cr9 s LYS 579 N 1.26 1.39 0.87 3.54 -0.14 -0.98 -4.96 119.74 120.72 3cr9 s LYS 579 Ca -0.09 -1.64 -0.11 0.00 -1.36 0.00 0.00 55.97 52.77 3cr9 s LYS 579 Cb -0.11 -1.11 0.11 0.00 -1.68 0.00 0.00 37.83 35.04 3cr9 s LYS 579 CO -0.07 0.14 1.11 -2.14 -0.76 0.00 0.00 175.35 173.62 3cr9 s PRO 580 N -3.67 1.45 0.66 -1.68 0.02 -1.26 -0.88 135.00 129.64 3cr9 s PRO 580 Ca 0.24 1.21 0.33 0.00 0.02 0.00 0.00 61.00 62.81 3cr9 s PRO 580 Cb 0.01 -1.80 1.81 0.00 0.02 0.00 0.00 34.50 34.53 3cr9 s PRO 580 CO 0.08 -2.22 2.03 0.28 -0.33 0.00 0.00 177.00 176.84 3cr9 h VAL 581 N -1.55 0.04 0.00 3.83 2.07 -1.81 0.07 116.25 118.90 3cr9 h VAL 581 Ca -0.46 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 3cr9 h VAL 581 Cb 1.26 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3cr9 h VAL 581 CO 0.49 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.69 3cr9 h ALA 582 N 1.51 0.81 -0.25 1.67 0.00 -1.92 -3.24 119.26 117.84 3cr9 h ALA 582 Ca 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3cr9 h ALA 582 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3cr9 h ALA 582 CO -0.00 0.48 0.04 0.39 0.00 0.00 0.00 179.25 180.16 3cr9 n GLU 583 N -3.28 2.39 -0.28 0.00 1.02 0.01 -4.45 120.64 116.05 3cr9 n GLU 583 Ca 0.02 -1.23 0.20 0.00 -0.02 0.00 0.00 57.16 56.12 3cr9 n GLU 583 Cb 0.63 -1.76 0.50 0.00 -0.02 0.00 0.00 31.44 30.79 3cr9 n GLU 583 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cr9 h ALA 584 N 2.62 2.18 0.00 0.62 0.00 -1.69 0.83 119.26 123.82 3cr9 h ALA 584 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cr9 h ALA 584 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3cr9 h ALA 584 CO 0.23 -0.52 0.07 0.93 0.00 0.00 0.00 179.25 179.96 3cr9 h GLU 585 N 0.43 0.00 -0.11 0.00 4.39 -1.91 0.11 114.58 117.49 3cr9 h GLU 585 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 3cr9 h GLU 585 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3cr9 h GLU 585 CO -0.23 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.05 3cr9 n SER 586 N -3.03 2.30 -2.98 1.42 7.64 0.23 -4.76 113.62 114.44 3cr9 n SER 586 Ca -0.03 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.71 3cr9 n SER 586 Cb 0.13 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 3cr9 n SER 586 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cr9 s HIS 588 N -1.12 2.39 -0.10 0.00 -0.00 -1.09 -4.69 115.29 110.68 3cr9 s HIS 588 Ca 0.32 -0.56 0.15 0.00 -0.00 0.00 0.00 55.06 54.96 3cr9 s HIS 588 Cb 0.31 -1.45 -0.23 0.00 -0.00 0.00 0.00 32.58 31.21 3cr9 s HIS 588 CO -0.08 0.52 0.48 1.28 -0.00 0.00 0.00 174.74 176.95 3cr9 n LEU 589 N -0.82 0.58 -3.61 5.38 4.77 -0.55 -4.61 117.00 118.15 3cr9 n LEU 589 Ca -0.05 0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 3cr9 n LEU 589 Cb 0.64 0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.99 3cr9 n LEU 589 CO 0.44 0.40 1.04 0.00 -1.33 0.00 0.00 177.39 177.94 3cr9 s ALA 590 N -2.60 -2.15 -0.41 -1.18 0.00 -1.22 -5.00 121.76 109.20 3cr9 s ALA 590 Ca -0.06 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 3cr9 s ALA 590 Cb 0.07 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.31 3cr9 s ALA 590 CO 0.83 -0.79 0.27 0.50 0.00 0.00 0.00 175.76 176.57 3cr9 s ARG 591 N -2.41 2.86 0.20 0.00 6.06 -1.26 0.03 118.95 124.43 3cr9 s ARG 591 Ca 0.11 -1.16 0.03 0.00 -2.50 0.00 0.00 55.73 52.21 3cr9 s ARG 591 Cb 0.02 -3.87 -0.03 0.00 0.06 0.00 0.00 34.95 31.12 3cr9 s ARG 591 CO -0.04 -0.80 0.34 0.00 -2.50 0.00 0.00 175.30 172.30 3cr9 s ALA 592 N 1.59 3.92 0.14 6.12 0.00 0.12 -4.90 121.76 128.74 3cr9 s ALA 592 Ca 0.03 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3cr9 s ALA 592 Cb -0.20 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 3cr9 s ALA 592 CO 0.07 0.37 1.02 -2.14 0.00 0.00 0.00 175.76 175.08 3cr9 s PRO 593 N -3.61 4.66 0.94 0.00 0.02 -1.26 -1.39 135.00 134.36 3cr9 s PRO 593 Ca 0.35 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 62.80 3cr9 s PRO 593 Cb -0.10 -3.34 0.06 0.00 0.02 0.00 0.00 34.50 31.14 3cr9 s PRO 593 CO 0.29 0.16 0.60 0.09 -0.33 0.00 0.00 177.00 177.82 3cr9 n ASN 594 N 2.62 -1.44 -4.23 2.53 4.13 -1.26 -4.39 115.26 113.22 3cr9 n ASN 594 Ca 0.02 0.36 -0.29 0.00 1.68 0.00 0.00 54.58 56.35 3cr9 n ASN 594 Cb 0.48 -1.28 0.22 0.00 -1.54 0.00 0.00 39.78 37.67 3cr9 n ASN 594 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3cr9 s HIS 595 N -2.45 1.14 0.02 3.10 3.76 -1.26 -4.61 115.29 114.98 3cr9 s HIS 595 Ca 0.60 0.80 -0.21 0.00 -0.15 0.00 0.00 55.06 56.09 3cr9 s HIS 595 Cb -0.22 -3.26 0.04 0.00 1.11 0.00 0.00 32.58 30.26 3cr9 s HIS 595 CO 0.65 -3.65 0.47 0.00 -0.85 0.00 0.00 174.74 171.36 3cr9 s ALA 596 N -2.82 -1.20 0.26 -1.40 0.00 0.14 -2.45 121.76 114.29 3cr9 s ALA 596 Ca 0.68 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 3cr9 s ALA 596 Cb -0.16 0.24 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 3cr9 s ALA 596 CO 0.58 -0.41 0.83 0.08 0.00 0.00 0.00 175.76 176.84 3cr9 s VAL 597 N -1.99 4.36 0.12 0.00 1.01 -0.48 0.84 120.40 124.25 3cr9 s VAL 597 Ca -0.08 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3cr9 s VAL 597 Cb -0.01 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3cr9 s VAL 597 CO 0.02 0.24 -0.08 0.68 0.00 0.00 0.00 175.10 175.95 3cr9 s VAL 598 N -1.49 0.89 0.25 2.92 -7.23 -0.80 -0.54 120.40 114.40 3cr9 s VAL 598 Ca 0.45 -1.95 -0.20 0.00 -1.81 0.00 0.00 61.98 58.47 3cr9 s VAL 598 Cb -0.19 -1.70 0.07 0.00 0.56 0.00 0.00 36.38 35.11 3cr9 s VAL 598 CO 0.23 -0.79 0.94 -0.94 -0.31 0.00 0.00 175.10 174.23 3cr9 s SER 599 N -3.02 -0.03 0.23 4.85 1.04 -0.80 -3.50 113.70 112.46 3cr9 s SER 599 Ca 0.13 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 3cr9 s SER 599 Cb 0.03 0.62 -0.09 0.00 0.10 0.00 0.00 66.02 66.69 3cr9 s SER 599 CO -0.02 -1.21 1.08 -1.10 0.98 0.00 0.00 173.24 172.97 3cr9 s GLN 600 N -2.45 4.64 0.63 4.02 -1.52 -1.26 -1.35 119.66 122.37 3cr9 s GLN 600 Ca 0.18 1.73 0.22 0.00 -1.95 0.00 0.00 55.36 55.54 3cr9 s GLN 600 Cb -0.03 -3.24 1.05 0.00 -0.22 0.00 0.00 33.01 30.56 3cr9 s GLN 600 CO 0.07 0.17 1.56 1.03 -0.25 0.00 0.00 175.29 177.87 3cr9 h SER 601 N 4.49 0.00 0.41 5.90 0.87 -1.89 -0.26 113.55 123.07 3cr9 h SER 601 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 3cr9 h SER 601 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3cr9 h SER 601 CO 0.70 0.00 -0.20 0.44 -0.53 0.00 0.00 176.83 177.24 3cr9 h ASP 602 N 0.00 -0.46 1.29 6.23 5.19 -1.97 -3.31 116.42 123.38 3cr9 h ASP 602 Ca 0.17 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3cr9 h ASP 602 Cb 1.63 0.12 0.00 0.00 0.18 0.00 0.00 39.33 41.26 3cr9 h ASP 602 CO -0.00 -0.08 0.00 0.03 -3.12 0.00 0.00 179.24 176.07 3cr9 h ARG 603 N -0.91 0.00 -0.94 3.56 2.47 -1.43 -3.40 114.38 113.73 3cr9 h ARG 603 Ca -0.06 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.79 3cr9 h ARG 603 Cb 0.56 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.73 3cr9 h ARG 603 CO 0.09 0.00 -0.46 0.00 0.56 0.00 0.00 179.97 180.17 3cr9 h ALA 604 N 2.17 -0.12 -0.43 0.04 0.00 -1.55 0.41 119.26 119.78 3cr9 h ALA 604 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3cr9 h ALA 604 Cb 0.64 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3cr9 h ALA 604 CO 0.00 -0.76 0.20 0.37 0.00 0.00 0.00 179.25 179.07 3cr9 h GLN 605 N -0.03 0.62 -0.02 0.00 4.15 -1.83 -0.27 115.11 117.75 3cr9 h GLN 605 Ca 0.27 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 3cr9 h GLN 605 Cb 0.53 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3cr9 h GLN 605 CO -0.93 0.54 0.01 1.25 -1.93 0.00 0.00 178.83 177.76 3cr9 h HIS 606 N 0.56 0.02 -0.83 3.99 2.76 -1.76 -2.31 115.15 117.58 3cr9 h HIS 606 Ca 0.15 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.50 3cr9 h HIS 606 Cb 0.13 -0.01 -0.11 0.00 1.55 0.00 0.00 27.41 28.97 3cr9 h HIS 606 CO -0.01 0.16 0.32 1.25 -1.30 0.00 0.00 177.93 178.35 3cr9 h LEU 607 N -0.13 0.24 0.65 0.26 7.12 -0.73 -1.23 115.31 121.50 3cr9 h LEU 607 Ca 0.01 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 3cr9 h LEU 607 Cb 0.15 0.14 0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3cr9 h LEU 607 CO -0.00 0.02 -0.31 0.50 -0.13 0.00 0.00 178.44 178.52 3cr9 h LYS 608 N 0.39 -0.84 -0.20 1.25 3.64 -0.75 -1.35 116.57 118.71 3cr9 h LYS 608 Ca 0.49 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.98 3cr9 h LYS 608 Cb 0.85 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 3cr9 h LYS 608 CO -0.49 -0.56 -0.33 -0.22 -2.27 0.00 0.00 179.45 175.57 3cr9 h LYS 609 N -0.89 -0.36 -0.69 1.90 3.64 -0.74 0.28 116.57 119.71 3cr9 h LYS 609 Ca -0.09 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3cr9 h LYS 609 Cb 0.68 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.54 3cr9 h LYS 609 CO 0.15 -0.24 0.46 0.28 -2.27 0.00 0.00 179.45 177.83 3cr9 h VAL 610 N -0.37 1.04 -0.00 2.00 2.07 -1.25 -2.21 116.25 117.53 3cr9 h VAL 610 Ca 0.11 -0.26 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 3cr9 h VAL 610 Cb 0.55 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3cr9 h VAL 610 CO -0.41 0.14 -0.87 -0.07 0.02 0.00 0.00 177.57 176.38 3cr9 h LEU 611 N 0.75 0.27 -0.61 2.57 3.38 -0.01 -1.01 115.31 120.66 3cr9 h LEU 611 Ca 0.29 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3cr9 h LEU 611 Cb 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3cr9 h LEU 611 CO -0.09 1.01 0.12 -0.26 0.09 0.00 0.00 178.44 179.31 3cr9 h PHE 612 N 0.12 1.05 0.43 1.13 0.04 0.07 -1.72 116.94 118.06 3cr9 h PHE 612 Ca -0.04 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 3cr9 h PHE 612 Cb 1.49 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3cr9 h PHE 612 CO 0.03 0.90 -0.21 -0.07 -0.60 0.00 0.00 178.31 178.36 3cr9 h LEU 613 N 0.90 -0.49 -0.99 1.54 3.38 -1.42 -2.20 115.31 116.03 3cr9 h LEU 613 Ca 0.19 -0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.27 3cr9 h LEU 613 Cb 0.40 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 3cr9 h LEU 613 CO 0.01 -0.10 0.59 1.56 0.09 0.00 0.00 178.44 180.59 3cr9 h GLN 614 N -0.98 0.64 0.00 1.13 1.08 -1.17 0.18 115.11 115.99 3cr9 h GLN 614 Ca -0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3cr9 h GLN 614 Cb 0.56 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3cr9 h GLN 614 CO 0.10 0.42 -0.16 -0.56 -0.95 0.00 0.00 178.83 177.68 3cr9 h GLN 615 N 0.65 0.00 0.00 1.46 3.07 -1.34 -0.47 115.11 118.49 3cr9 h GLN 615 Ca 0.61 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 59.21 3cr9 h GLN 615 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.59 3cr9 h GLN 615 CO -0.43 0.00 -0.65 -0.44 0.09 0.00 0.00 178.83 177.39 3cr9 h ASP 616 N 0.00 0.00 0.10 0.06 5.19 -0.03 0.78 116.42 122.52 3cr9 h ASP 616 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 3cr9 h ASP 616 Cb 0.79 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 3cr9 h ASP 616 CO 0.00 0.65 -1.26 -0.61 -3.12 0.00 0.00 179.24 174.91 3cr9 h GLN 617 N 0.00 0.21 0.00 3.56 4.15 -1.07 -3.39 115.11 118.57 3cr9 h GLN 617 Ca -0.01 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3cr9 h GLN 617 Cb 1.49 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.31 3cr9 h GLN 617 CO 0.08 1.17 -0.12 1.19 -1.93 0.00 0.00 178.83 179.23 3cr9 n PHE 618 N -4.03 0.00 0.00 3.99 3.72 -0.20 -2.84 117.46 118.10 3cr9 n PHE 618 Ca -0.24 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.51 3cr9 n PHE 618 Cb 0.85 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 3cr9 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cr9 n GLY 619 N -0.92 -1.12 0.19 1.37 0.00 0.27 -0.50 105.19 104.49 3cr9 n GLY 619 Ca 0.10 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.88 3cr9 n GLY 619 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cr9 h GLY 620 N 0.00 0.00 -0.20 -0.02 0.00 -1.73 -2.04 103.07 99.08 3cr9 h GLY 620 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cr9 h GLY 620 CO 0.00 0.00 -0.10 0.70 0.00 0.00 0.00 176.54 177.14 3cr9 n ASN 621 N -2.64 1.83 -4.68 0.19 5.03 -1.26 -5.05 115.26 108.68 3cr9 n ASN 621 Ca 0.02 -2.77 -0.45 0.00 0.87 0.00 0.00 54.58 52.24 3cr9 n ASN 621 Cb 0.30 -0.35 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 3cr9 n ASN 621 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3cr9 n GLY 622 N -1.07 1.49 0.35 7.41 0.00 -0.77 -4.85 105.19 107.74 3cr9 n GLY 622 Ca 0.12 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 3cr9 n GLY 622 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cr9 h PRO 623 N 8.42 1.02 -0.63 1.61 0.11 -1.73 -0.66 132.00 140.14 3cr9 h PRO 623 Ca -0.47 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 3cr9 h PRO 623 Cb 1.25 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3cr9 h PRO 623 CO 0.93 0.72 0.08 -0.25 -0.21 0.00 0.00 178.00 179.27 3cr9 n ASP 624 N -4.39 5.52 0.05 -2.05 8.00 -1.13 -4.57 116.55 117.98 3cr9 n ASP 624 Ca 0.08 -3.02 -0.02 0.00 0.71 0.00 0.00 54.79 52.54 3cr9 n ASP 624 Cb 0.07 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.45 3cr9 n ASP 624 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cr9 h PRO 626 N -0.21 0.88 0.00 0.00 0.11 -1.81 -2.94 132.00 128.03 3cr9 h PRO 626 Ca -0.01 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3cr9 h PRO 626 Cb 0.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3cr9 h PRO 626 CO 0.02 0.63 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 3cr9 n GLY 627 N -1.14 -3.03 0.03 -0.55 0.00 -1.24 -4.55 105.19 94.70 3cr9 n GLY 627 Ca 0.05 0.54 0.02 0.00 0.00 0.00 0.00 46.02 46.63 3cr9 n GLY 627 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cr9 n LYS 628 N -0.76 1.03 -3.64 1.61 2.85 0.26 -5.06 118.16 114.44 3cr9 n LYS 628 Ca 0.00 -0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.13 3cr9 n LYS 628 Cb 0.00 -1.30 -0.07 0.00 -0.65 0.00 0.00 35.03 33.01 3cr9 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3cr9 s PHE 629 N -2.65 -0.36 -0.19 5.58 5.36 -0.50 -5.03 117.98 120.19 3cr9 s PHE 629 Ca -0.05 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 56.76 3cr9 s PHE 629 Cb 0.06 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3cr9 s PHE 629 CO 0.51 -0.18 -0.18 0.00 -1.46 0.00 0.00 175.22 173.91 3cr9 h LEU 631 N 7.95 0.17 -3.88 0.00 5.85 -1.06 -3.20 115.31 121.14 3cr9 h LEU 631 Ca -0.45 -0.07 -0.43 0.00 0.84 0.00 0.00 57.88 57.77 3cr9 h LEU 631 Cb 1.14 -0.05 -0.26 0.00 0.37 0.00 0.00 40.66 41.86 3cr9 h LEU 631 CO 0.63 0.56 0.51 0.49 -0.34 0.00 0.00 178.44 180.30 3cr9 n PHE 632 N -4.04 2.75 -4.00 1.25 3.72 -1.26 -4.74 117.46 111.14 3cr9 n PHE 632 Ca -0.02 -1.72 -0.11 0.00 -0.05 0.00 0.00 57.45 55.55 3cr9 n PHE 632 Cb 0.46 -0.86 -0.12 0.00 -0.94 0.00 0.00 39.48 38.03 3cr9 n PHE 632 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3cr9 s LYS 633 N -3.25 0.35 -0.11 -1.08 2.20 -1.21 -4.23 119.74 112.42 3cr9 s LYS 633 Ca 0.55 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.65 3cr9 s LYS 633 Cb 0.47 -0.06 0.13 0.00 -1.51 0.00 0.00 37.83 36.85 3cr9 s LYS 633 CO 0.10 -0.00 1.00 -1.13 -0.36 0.00 0.00 175.35 174.96 3cr9 n SER 634 N 1.84 -0.94 -3.16 1.43 3.41 -1.26 -4.86 113.62 110.08 3cr9 n SER 634 Ca -0.21 -1.74 -0.15 0.00 -0.26 0.00 0.00 58.87 56.51 3cr9 n SER 634 Cb 0.56 0.36 0.08 0.00 -0.26 0.00 0.00 64.21 64.94 3cr9 n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3cr9 n GLU 635 N -0.48 -5.51 -1.39 4.33 4.71 -1.26 -2.78 120.64 118.26 3cr9 n GLU 635 Ca -0.19 0.76 -0.13 0.00 -0.01 0.00 0.00 57.16 57.59 3cr9 n GLU 635 Cb 0.68 -5.49 -0.06 0.00 -1.01 0.00 0.00 31.44 25.57 3cr9 n GLU 635 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3cr9 n THR 636 N -3.71 -0.00 1.05 2.62 -2.24 -1.26 -4.76 114.28 105.97 3cr9 n THR 636 Ca -0.24 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.66 3cr9 n THR 636 Cb 0.65 -1.27 0.07 0.00 -2.10 0.00 0.00 70.33 67.68 3cr9 n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3cr9 n LYS 637 N -1.88 1.28 -3.95 -0.78 5.02 -1.12 -4.88 118.16 111.84 3cr9 n LYS 637 Ca -0.13 -1.02 -0.32 0.00 -2.02 0.00 0.00 58.31 54.82 3cr9 n LYS 637 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3cr9 n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cr9 n ASN 638 N 0.03 -4.20 -4.77 4.39 3.02 -1.26 -4.94 115.26 107.54 3cr9 n ASN 638 Ca 0.10 -0.81 -0.41 0.00 -0.03 0.00 0.00 54.58 53.44 3cr9 n ASN 638 Cb 0.46 -3.39 -0.02 0.00 -0.61 0.00 0.00 39.78 36.22 3cr9 n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cr9 s LEU 639 N -7.18 4.42 0.00 3.41 1.43 -1.26 -3.93 118.68 115.57 3cr9 s LEU 639 Ca 0.67 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.46 3cr9 s LEU 639 Cb -0.35 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3cr9 s LEU 639 CO 0.82 -0.56 0.00 0.18 0.23 0.00 0.00 176.35 177.02 3cr9 n LEU 640 N 0.93 0.00 -4.01 1.79 4.77 -1.26 -4.65 117.00 114.56 3cr9 n LEU 640 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 3cr9 n LEU 640 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3cr9 n LEU 640 CO 0.59 0.00 -0.01 -0.36 -1.33 0.00 0.00 177.39 176.28 3cr9 s PHE 641 N 0.00 0.51 0.53 -1.77 0.40 -1.25 -4.53 117.98 111.87 3cr9 s PHE 641 Ca 0.00 -0.85 -0.21 0.00 -0.60 0.00 0.00 56.93 55.27 3cr9 s PHE 641 Cb 0.00 -0.08 -0.06 0.00 0.51 0.00 0.00 43.02 43.39 3cr9 s PHE 641 CO 0.00 -0.77 1.19 -0.80 0.70 0.00 0.00 175.22 175.54 3cr9 s ASN 642 N -3.01 5.67 0.35 1.36 0.01 -1.26 -4.59 114.94 113.48 3cr9 s ASN 642 Ca 0.22 2.35 0.27 0.00 -0.71 0.00 0.00 52.86 54.99 3cr9 s ASN 642 Cb 0.03 -2.60 1.12 0.00 0.41 0.00 0.00 41.25 40.21 3cr9 s ASN 642 CO 0.04 -1.26 1.80 0.44 -1.51 0.00 0.00 177.10 176.61 3cr9 h ASP 643 N 1.43 0.00 -0.64 -1.22 3.32 -1.88 -2.70 116.42 114.74 3cr9 h ASP 643 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3cr9 h ASP 643 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3cr9 h ASP 643 CO 0.58 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.64 3cr9 n ASN 644 N -2.51 4.04 -4.73 6.45 0.23 -1.26 -4.70 115.26 112.77 3cr9 n ASN 644 Ca 0.02 -2.21 -0.42 0.00 -0.53 0.00 0.00 54.58 51.44 3cr9 n ASN 644 Cb 0.25 -0.51 -0.03 0.00 -2.08 0.00 0.00 39.78 37.42 3cr9 n ASN 644 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3cr9 s THR 645 N -1.47 3.16 -0.24 5.53 2.01 -1.02 0.75 115.64 124.37 3cr9 s THR 645 Ca 0.46 0.92 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 3cr9 s THR 645 Cb 0.27 -3.59 -0.17 0.00 0.01 0.00 0.00 72.50 69.03 3cr9 s THR 645 CO 0.27 0.12 -0.10 1.21 -0.69 0.00 0.00 174.62 175.43 3cr9 n GLU 646 N 3.00 0.62 -3.67 4.92 2.13 -0.12 -4.73 120.64 122.79 3cr9 n GLU 646 Ca 0.08 0.30 -0.06 0.00 0.66 0.00 0.00 57.16 58.14 3cr9 n GLU 646 Cb 0.42 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.53 3cr9 n GLU 646 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cr9 s LEU 648 N -2.79 4.38 0.00 0.00 1.43 -1.26 -0.96 118.68 119.48 3cr9 s LEU 648 Ca 0.09 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3cr9 s LEU 648 Cb -0.02 -2.19 0.11 0.00 0.03 0.00 0.00 46.19 44.13 3cr9 s LEU 648 CO -0.02 -0.22 0.82 0.00 0.23 0.00 0.00 176.35 177.17 3cr9 n ALA 649 N 5.16 0.52 -2.01 4.21 0.00 0.25 -4.75 120.51 123.89 3cr9 n ALA 649 Ca -0.12 -1.78 -0.32 0.00 0.00 0.00 0.00 53.44 51.21 3cr9 n ALA 649 Cb 0.50 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 3cr9 n ALA 649 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cr9 s GLU 650 N -4.62 4.06 0.00 0.00 0.41 -0.92 -1.26 118.70 116.36 3cr9 s GLU 650 Ca 0.57 0.83 0.23 0.00 -0.41 0.00 0.00 54.97 56.19 3cr9 s GLU 650 Cb -0.04 -2.32 1.14 0.00 -1.78 0.00 0.00 34.13 31.13 3cr9 s GLU 650 CO 0.37 0.05 1.73 1.28 -0.49 0.00 0.00 175.26 178.20 3cr9 n LEU 651 N -0.61 0.00 -3.34 1.80 4.77 -1.26 -4.70 117.00 113.66 3cr9 n LEU 651 Ca 0.05 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 56.07 3cr9 n LEU 651 Cb 0.54 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3cr9 n LEU 651 CO 0.41 -0.07 0.13 0.00 -1.33 0.00 0.00 177.39 176.53 3cr9 n GLN 652 N -1.28 -6.56 0.00 3.23 1.13 -1.26 -1.78 117.38 110.86 3cr9 n GLN 652 Ca 0.11 0.86 0.00 0.00 -1.94 0.00 0.00 57.00 56.03 3cr9 n GLN 652 Cb 0.18 -5.83 0.00 0.00 0.11 0.00 0.00 30.24 24.69 3cr9 n GLN 652 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cr9 n GLY 653 N -1.79 2.87 3.57 1.08 0.00 -1.26 -4.93 105.19 104.73 3cr9 n GLY 653 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3cr9 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cr9 s LYS 654 N -0.13 2.74 -0.01 1.61 1.02 -0.73 -4.64 119.74 119.59 3cr9 s LYS 654 Ca 0.00 -0.80 0.22 0.00 0.02 0.00 0.00 55.97 55.41 3cr9 s LYS 654 Cb 0.00 -5.19 -0.29 0.00 -0.52 0.00 0.00 37.83 31.83 3cr9 s LYS 654 CO 0.00 -3.39 0.62 0.25 -0.92 0.00 0.00 175.35 171.90 3cr9 n THR 655 N 7.65 0.02 -4.09 2.17 -2.24 -1.26 -4.47 114.28 112.06 3cr9 n THR 655 Ca 0.42 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 3cr9 n THR 655 Cb 0.47 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 3cr9 n THR 655 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cr9 s THR 656 N -3.37 4.60 0.25 4.28 -4.23 -1.26 -4.09 115.64 111.82 3cr9 s THR 656 Ca -0.03 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3cr9 s THR 656 Cb 0.14 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.69 3cr9 s THR 656 CO 0.89 -0.32 1.83 0.10 -0.54 0.00 0.00 174.62 176.58 3cr9 h TYR 657 N 1.52 1.08 -0.23 3.99 -0.00 -1.91 0.54 116.97 121.95 3cr9 h TYR 657 Ca -0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 58.73 58.17 3cr9 h TYR 657 Cb 1.23 -0.33 -0.01 0.00 0.00 0.00 0.00 36.73 37.62 3cr9 h TYR 657 CO 0.54 0.81 0.10 0.93 -0.00 0.00 0.00 178.16 180.54 3cr9 h GLU 658 N 1.06 0.34 -0.42 0.10 5.08 -1.95 0.12 114.58 118.91 3cr9 h GLU 658 Ca 0.25 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3cr9 h GLU 658 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3cr9 h GLU 658 CO -0.03 0.37 0.23 1.96 -1.00 0.00 0.00 179.01 180.54 3cr9 h GLN 659 N 0.23 0.58 0.48 2.33 4.20 -1.82 -0.10 115.11 121.03 3cr9 h GLN 659 Ca 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3cr9 h GLN 659 Cb 0.15 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3cr9 h GLN 659 CO -0.01 0.47 -0.23 -0.92 -0.67 0.00 0.00 178.83 177.47 3cr9 h TYR 660 N 0.54 -0.60 -0.24 2.96 3.20 -0.63 -3.20 116.97 119.00 3cr9 h TYR 660 Ca 0.15 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3cr9 h TYR 660 Cb 0.06 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3cr9 h TYR 660 CO -0.02 -0.28 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.13 3cr9 h LEU 661 N -1.00 0.33 0.00 2.82 3.38 -0.84 -3.49 115.31 116.51 3cr9 h LEU 661 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3cr9 h LEU 661 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3cr9 h LEU 661 CO 0.11 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3cr9 n GLY 662 N -1.02 0.66 0.00 0.83 0.00 -0.05 -4.62 105.19 100.99 3cr9 n GLY 662 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3cr9 n GLY 662 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cr9 n SER 663 N -0.64 0.00 0.00 1.61 7.64 -1.26 -2.67 113.62 118.30 3cr9 n SER 663 Ca 0.00 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.56 3cr9 n SER 663 Cb 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3cr9 n SER 663 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3cr9 n GLU 664 N -1.59 0.00 -0.32 1.43 2.13 -1.26 -1.65 120.64 119.38 3cr9 n GLU 664 Ca 0.00 0.23 0.18 0.00 0.66 0.00 0.00 57.16 58.24 3cr9 n GLU 664 Cb 0.00 -0.51 0.38 0.00 0.27 0.00 0.00 31.44 31.57 3cr9 n GLU 664 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3cr9 h TYR 665 N 0.00 0.53 -0.50 4.31 3.20 -1.82 0.82 116.97 123.50 3cr9 h TYR 665 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3cr9 h TYR 665 Cb 0.00 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3cr9 h TYR 665 CO 0.00 -0.26 0.31 0.28 -1.64 0.00 0.00 178.16 176.85 3cr9 h VAL 666 N 0.20 1.07 -0.55 1.81 2.07 -1.16 0.81 116.25 120.49 3cr9 h VAL 666 Ca 0.64 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.85 3cr9 h VAL 666 Cb 1.42 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3cr9 h VAL 666 CO -0.69 0.11 -0.04 0.74 0.02 0.00 0.00 177.57 177.72 3cr9 h THR 667 N 0.62 1.26 -0.78 2.57 2.02 0.15 -2.19 112.91 116.56 3cr9 h THR 667 Ca 0.20 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 3cr9 h THR 667 Cb -0.00 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3cr9 h THR 667 CO -0.08 0.42 0.29 -1.28 0.37 0.00 0.00 175.52 175.24 3cr9 h SER 668 N 0.90 1.08 0.14 4.18 0.87 -0.36 -0.91 113.55 119.45 3cr9 h SER 668 Ca 0.16 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3cr9 h SER 668 Cb 0.58 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3cr9 h SER 668 CO 0.03 0.97 -0.24 0.40 -0.53 0.00 0.00 176.83 177.46 3cr9 h ILE 669 N 1.13 1.22 -0.08 2.23 2.04 -0.57 -2.38 117.51 121.11 3cr9 h ILE 669 Ca 0.26 -1.04 -0.21 0.00 1.00 0.00 0.00 64.86 64.87 3cr9 h ILE 669 Cb 0.24 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3cr9 h ILE 669 CO -0.02 0.31 -0.80 0.74 0.00 0.00 0.00 178.15 178.38 3cr9 h THR 670 N 0.17 1.35 -0.12 -0.27 2.02 -0.71 -2.64 112.91 112.72 3cr9 h THR 670 Ca 0.03 -2.17 -0.07 0.00 0.77 0.00 0.00 66.41 64.97 3cr9 h THR 670 Cb 0.53 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 3cr9 h THR 670 CO 0.04 0.66 -0.24 0.78 0.37 0.00 0.00 175.52 177.12 3cr9 h ASN 671 N 0.34 0.21 0.49 4.18 2.35 -0.85 -2.22 115.58 120.08 3cr9 h ASN 671 Ca -0.05 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 3cr9 h ASN 671 Cb 1.41 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 3cr9 h ASN 671 CO 0.15 0.46 -0.53 -0.07 -1.65 0.00 0.00 177.43 175.79 3cr9 h LEU 672 N 0.19 0.04 -1.75 1.61 3.38 -1.30 -2.72 115.31 114.76 3cr9 h LEU 672 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3cr9 h LEU 672 Cb 0.54 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3cr9 h LEU 672 CO 0.04 0.56 0.03 -0.09 0.09 0.00 0.00 178.44 179.07 3cr9 h ARG 673 N 0.03 0.18 -0.96 1.13 2.43 -1.03 -1.08 114.38 115.07 3cr9 h ARG 673 Ca -0.00 -0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.43 3cr9 h ARG 673 Cb 0.94 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 3cr9 h ARG 673 CO 0.07 0.18 0.71 -0.09 -1.51 0.00 0.00 179.97 179.32 3cr9 h ARG 674 N 0.18 0.00 0.00 0.20 2.43 -1.41 -2.42 114.38 113.36 3cr9 h ARG 674 Ca 0.05 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.04 3cr9 h ARG 674 Cb 0.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3cr9 h ARG 674 CO -0.00 0.00 -1.18 0.00 -1.51 0.00 0.00 179.97 177.28 3cr9 s SER 676 N -6.51 0.40 0.26 0.00 0.15 -0.91 -5.09 113.70 101.99 3cr9 s SER 676 Ca -0.26 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.26 3cr9 s SER 676 Cb 0.06 0.00 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 3cr9 s SER 676 CO 0.44 -0.07 -0.14 -0.55 1.20 0.00 0.00 173.24 174.13 3cr9 s SER 677 N -0.58 3.01 0.03 5.45 0.15 -1.26 -3.97 113.70 116.53 3cr9 s SER 677 Ca -0.04 -1.08 0.02 0.00 0.70 0.00 0.00 55.95 55.56 3cr9 s SER 677 Cb -0.04 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3cr9 s SER 677 CO -0.00 -0.15 0.01 -0.55 1.20 0.00 0.00 173.24 173.75 3cr9 s SER 678 N -3.43 5.18 0.41 5.45 0.15 -1.26 -5.02 113.70 115.19 3cr9 s SER 678 Ca 0.27 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.99 3cr9 s SER 678 Cb -0.01 -1.34 0.92 0.00 -1.71 0.00 0.00 66.02 63.88 3cr9 s SER 678 CO 0.11 0.25 2.00 1.55 1.20 0.00 0.00 173.24 178.35 3cr9 h PRO 679 N 4.02 0.51 -0.47 5.44 0.13 -2.01 -1.12 132.00 138.50 3cr9 h PRO 679 Ca -0.48 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3cr9 h PRO 679 Cb 1.17 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3cr9 h PRO 679 CO 0.59 0.34 0.06 1.25 -0.23 0.00 0.00 178.00 180.01 3cr9 h LEU 680 N 0.52 0.75 -1.03 1.56 6.46 -1.99 0.97 115.31 122.55 3cr9 h LEU 680 Ca 0.24 -0.27 0.09 0.00 -0.12 0.00 0.00 57.88 57.82 3cr9 h LEU 680 Cb 0.28 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 39.93 3cr9 h LEU 680 CO -0.07 0.83 0.64 -0.07 -0.62 0.00 0.00 178.44 179.15 3cr9 h LEU 681 N 0.65 0.98 0.01 2.25 -0.00 -1.62 -1.41 115.31 116.16 3cr9 h LEU 681 Ca 0.14 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.98 3cr9 h LEU 681 Cb 0.41 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 40.89 3cr9 h LEU 681 CO 0.01 0.58 -0.26 -0.33 -0.00 0.00 0.00 178.44 178.44 3cr9 h GLU 682 N 1.08 0.16 -0.95 1.13 5.08 -0.96 -2.30 114.58 117.83 3cr9 h GLU 682 Ca 0.45 -0.19 0.18 0.00 -1.00 0.00 0.00 59.36 58.81 3cr9 h GLU 682 Cb 0.30 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 3cr9 h GLU 682 CO -0.20 0.96 0.54 0.00 -1.00 0.00 0.00 179.01 179.30 3cr9 h ALA 683 N 0.21 1.54 -0.02 3.43 0.00 -0.57 0.30 119.26 124.14 3cr9 h ALA 683 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3cr9 h ALA 683 Cb 1.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3cr9 h ALA 683 CO 0.05 -0.10 -0.59 0.00 0.00 0.00 0.00 179.25 178.60 3cr9 h ALA 685 N 1.36 1.37 0.03 0.00 0.00 0.19 0.22 119.26 122.42 3cr9 h ALA 685 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3cr9 h ALA 685 Cb 1.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3cr9 h ALA 685 CO 0.08 0.57 -0.01 0.35 0.00 0.00 0.00 179.25 180.24 3cr9 h PHE 686 N 1.21 -0.04 -0.75 0.00 3.57 -1.29 -2.81 116.94 116.84 3cr9 h PHE 686 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3cr9 h PHE 686 Cb -0.09 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3cr9 h PHE 686 CO -0.00 0.61 0.45 -0.07 -2.23 0.00 0.00 178.31 177.07 3cr9 h LEU 687 N -0.74 0.91 -0.43 0.59 3.38 -1.12 -0.84 115.31 117.06 3cr9 h LEU 687 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3cr9 h LEU 687 Cb 0.66 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3cr9 h LEU 687 CO 0.01 0.71 0.00 0.54 0.09 0.00 0.00 178.44 179.78 3cr9 n ARG 688 N -4.50 1.27 0.00 1.13 5.12 0.75 -5.09 116.66 115.34 3cr9 n ARG 688 Ca 0.07 -0.42 0.11 0.00 -1.93 0.00 0.00 57.85 55.67 3cr9 n ARG 688 Cb 0.06 -1.12 0.65 0.00 -1.16 0.00 0.00 32.46 30.88 3cr9 n ARG 688 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70