#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3goi n LEU 15 N 0.00 0.65 -0.04 3.22 4.32 -1.26 -4.84 117.00 119.05 3goi n LEU 15 Ca 0.00 -0.78 -0.13 0.00 -0.02 0.00 0.00 56.01 55.08 3goi n LEU 15 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 3goi n LEU 15 CO 0.00 0.15 0.52 0.58 -1.22 0.00 0.00 177.39 177.42 3goi h VAL 16 N 0.15 1.58 0.00 4.08 2.07 -1.99 -3.00 116.25 119.14 3goi h VAL 16 Ca 0.00 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.70 3goi h VAL 16 Cb 0.05 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3goi h VAL 16 CO 0.00 0.45 -0.46 -0.33 0.02 0.00 0.00 177.57 177.25 3goi h GLU 17 N -0.74 0.00 -0.20 1.57 4.39 -1.99 -0.78 114.58 116.84 3goi h GLU 17 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3goi h GLU 17 Cb 0.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3goi h GLU 17 CO 0.00 0.46 -0.24 1.96 -1.16 0.00 0.00 179.01 180.02 3goi h GLN 18 N 0.00 0.51 -0.52 2.33 7.50 -1.92 -0.42 115.11 122.59 3goi h GLN 18 Ca -0.00 -0.29 0.03 0.00 0.50 0.00 0.00 58.65 58.89 3goi h GLN 18 Cb 0.89 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.40 3goi h GLN 18 CO 0.06 0.88 0.30 0.82 -1.50 0.00 0.00 178.83 179.39 3goi h ILE 19 N 0.18 1.03 0.00 2.54 2.04 -1.15 -2.92 117.51 119.23 3goi h ILE 19 Ca 0.03 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3goi h ILE 19 Cb 0.81 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3goi h ILE 19 CO 0.06 0.11 -0.37 -0.07 0.00 0.00 0.00 178.15 177.88 3goi h LEU 20 N 0.60 0.00 -1.58 1.44 3.38 -1.15 -3.15 115.31 114.85 3goi h LEU 20 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3goi h LEU 20 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3goi h LEU 20 CO -0.11 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3goi h ALA 21 N 1.63 1.00 -0.00 1.53 0.00 -0.86 -1.95 119.26 120.60 3goi h ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3goi h ALA 21 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3goi h ALA 21 CO 0.05 0.00 0.09 0.93 0.00 0.00 0.00 179.25 180.32 3goi h GLU 22 N 0.00 0.00 0.00 0.00 5.08 -1.56 -1.84 114.58 116.26 3goi h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3goi h GLU 22 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3goi h GLU 22 CO 0.00 0.00 -0.04 0.74 -1.00 0.00 0.00 179.01 178.71 3goi h PHE 23 N 0.00 0.00 -4.29 4.33 -1.00 -1.59 -3.47 116.94 110.92 3goi h PHE 23 Ca 0.00 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.27 3goi h PHE 23 Cb 0.18 0.00 0.14 0.00 3.61 0.00 0.00 35.95 39.89 3goi h PHE 23 CO 0.00 0.00 0.30 -0.65 -1.61 0.00 0.00 178.31 176.35 3goi s GLN 24 N -3.13 2.01 -0.03 1.51 -0.21 -0.69 -4.70 119.66 114.41 3goi s GLN 24 Ca 0.10 1.20 -0.01 0.00 0.02 0.00 0.00 55.36 56.66 3goi s GLN 24 Cb 0.11 -1.87 0.03 0.00 1.00 0.00 0.00 33.01 32.28 3goi s GLN 24 CO 0.62 -1.82 0.05 -0.51 -2.12 0.00 0.00 175.29 171.50 3goi s LEU 25 N -6.04 0.48 0.85 2.90 1.43 -1.26 -5.12 118.68 111.92 3goi s LEU 25 Ca 0.62 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.67 3goi s LEU 25 Cb -0.18 -0.11 0.10 0.00 0.03 0.00 0.00 46.19 46.03 3goi s LEU 25 CO 0.56 -0.21 1.10 -1.10 0.23 0.00 0.00 176.35 176.94 3goi s GLN 26 N 1.77 1.63 0.36 1.70 -1.52 -1.26 -4.86 119.66 117.48 3goi s GLN 26 Ca -0.00 0.63 0.12 0.00 -1.95 0.00 0.00 55.36 54.16 3goi s GLN 26 Cb -0.12 -1.87 0.93 0.00 -0.22 0.00 0.00 33.01 31.73 3goi s GLN 26 CO -0.03 -1.94 1.80 1.49 -0.25 0.00 0.00 175.29 176.36 3goi h GLU 27 N -1.32 0.55 0.00 2.91 4.81 -2.00 -1.31 114.58 118.23 3goi h GLU 27 Ca -0.49 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.56 3goi h GLU 27 Cb 1.29 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3goi h GLU 27 CO 0.58 0.37 -0.72 0.93 -0.73 0.00 0.00 179.01 179.44 3goi h GLU 28 N 0.57 0.00 0.10 1.92 4.39 -1.99 -2.37 114.58 117.21 3goi h GLU 28 Ca 0.55 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.27 3goi h GLU 28 Cb 1.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 3goi h GLU 28 CO -0.30 0.72 -0.29 -0.44 -1.16 0.00 0.00 179.01 177.53 3goi h ASP 29 N 0.00 -0.85 -0.86 1.42 3.32 -1.59 -1.64 116.42 116.22 3goi h ASP 29 Ca -0.01 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3goi h ASP 29 Cb 1.41 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 41.22 3goi h ASP 29 CO 0.09 -0.38 0.54 -0.07 -1.72 0.00 0.00 179.24 177.71 3goi h LEU 30 N -0.50 0.87 -0.72 1.55 3.38 -1.16 -1.30 115.31 117.43 3goi h LEU 30 Ca 0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3goi h LEU 30 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3goi h LEU 30 CO -0.18 0.58 0.10 0.11 0.09 0.00 0.00 178.44 179.13 3goi h LYS 31 N 1.02 1.08 -0.44 1.13 1.57 -1.43 0.16 116.57 119.66 3goi h LYS 31 Ca 0.36 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3goi h LYS 31 Cb 0.11 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3goi h LYS 31 CO -0.15 0.99 0.19 -0.22 -0.57 0.00 0.00 179.45 179.69 3goi h LYS 32 N 1.01 0.38 -0.29 3.15 3.64 -0.25 -0.02 116.57 124.19 3goi h LYS 32 Ca 0.20 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 3goi h LYS 32 Cb 0.44 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3goi h LYS 32 CO 0.01 0.25 -0.41 0.28 -2.27 0.00 0.00 179.45 177.31 3goi h VAL 33 N 0.39 1.29 0.34 2.00 2.07 -0.90 -0.11 116.25 121.34 3goi h VAL 33 Ca 0.19 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3goi h VAL 33 Cb 0.14 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3goi h VAL 33 CO -0.16 0.51 -0.23 -0.03 0.02 0.00 0.00 177.57 177.68 3goi h MET 34 N 0.57 -0.54 -0.29 1.57 -1.53 -0.51 0.19 114.93 114.40 3goi h MET 34 Ca 0.04 0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.27 3goi h MET 34 Cb 0.95 0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.10 3goi h MET 34 CO 0.09 -0.36 -0.11 0.00 0.14 0.00 0.00 176.91 176.67 3goi h ARG 35 N -0.56 0.48 -0.05 0.39 3.08 -0.76 -1.44 114.38 115.53 3goi h ARG 35 Ca -0.03 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 3goi h ARG 35 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3goi h ARG 35 CO 0.02 0.60 -0.57 -0.09 -1.07 0.00 0.00 179.97 178.86 3goi h ARG 36 N 0.45 0.14 -0.14 0.04 9.65 -0.70 -2.70 114.38 121.12 3goi h ARG 36 Ca 0.08 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 3goi h ARG 36 Cb 0.47 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3goi h ARG 36 CO 0.03 0.68 -0.23 1.98 2.80 0.00 0.00 179.97 185.22 3goi h MET 37 N 0.11 0.40 -0.85 0.20 4.05 0.34 -1.32 114.93 117.86 3goi h MET 37 Ca -0.00 -0.25 0.12 0.00 -0.28 0.00 0.00 59.70 59.29 3goi h MET 37 Cb 1.04 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.81 3goi h MET 37 CO 0.08 0.84 0.55 1.96 0.23 0.00 0.00 176.91 180.57 3goi h GLN 38 N 0.00 0.69 0.20 0.39 4.20 -1.29 0.12 115.11 119.42 3goi h GLN 38 Ca 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3goi h GLN 38 Cb 0.81 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3goi h GLN 38 CO 0.05 0.46 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.35 3goi h LYS 39 N 0.71 -0.26 -0.79 1.46 3.64 -1.11 -0.86 116.57 119.36 3goi h LYS 39 Ca 0.41 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.95 3goi h LYS 39 Cb 0.59 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 3goi h LYS 39 CO -0.17 0.08 0.52 0.93 -2.27 0.00 0.00 179.45 178.54 3goi h GLU 40 N -0.63 0.49 -0.36 1.90 4.39 -0.76 -0.95 114.58 118.66 3goi h GLU 40 Ca -0.03 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3goi h GLU 40 Cb 0.45 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3goi h GLU 40 CO 0.04 0.32 0.06 0.52 -1.16 0.00 0.00 179.01 178.79 3goi h MET 41 N 0.50 0.59 -0.71 2.33 2.86 -0.53 -0.72 114.93 119.26 3goi h MET 41 Ca 0.39 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3goi h MET 41 Cb 0.79 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 3goi h MET 41 CO -0.14 0.67 0.47 0.22 1.06 0.00 0.00 176.91 179.18 3goi h ASP 42 N 0.43 0.80 -0.37 1.22 3.58 -0.09 -2.92 116.42 119.06 3goi h ASP 42 Ca 0.11 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 3goi h ASP 42 Cb 0.36 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3goi h ASP 42 CO 0.01 0.57 0.11 0.03 -2.88 0.00 0.00 179.24 177.07 3goi h ARG 43 N 0.94 0.59 -0.22 0.28 3.08 -1.05 -2.72 114.38 115.29 3goi h ARG 43 Ca 0.27 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3goi h ARG 43 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3goi h ARG 43 CO -0.07 0.61 0.27 0.78 -1.07 0.00 0.00 179.97 180.50 3goi h GLY 44 N 0.46 0.00 0.94 0.04 0.00 -1.04 -3.08 103.07 100.39 3goi h GLY 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3goi h GLY 44 CO -0.00 0.00 -1.02 1.04 0.00 0.00 0.00 176.54 176.56 3goi n LEU 45 N -3.66 0.78 -4.91 3.11 4.77 -1.03 -4.47 117.00 111.59 3goi n LEU 45 Ca 0.03 0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.96 3goi n LEU 45 Cb 0.40 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3goi n LEU 45 CO 0.26 -0.15 -0.15 -0.13 -1.33 0.00 0.00 177.39 175.89 3goi s ARG 46 N -3.34 3.45 0.23 3.23 0.52 -1.19 -3.17 118.95 118.68 3goi s ARG 46 Ca -0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3goi s ARG 46 Cb 0.10 -3.07 0.24 0.00 0.52 0.00 0.00 34.95 32.75 3goi s ARG 46 CO 0.79 0.64 1.70 1.25 0.02 0.00 0.00 175.30 179.71 3goi h LEU 47 N 3.50 0.83 -2.70 2.53 5.85 -1.91 -0.13 115.31 123.29 3goi h LEU 47 Ca -0.47 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.01 3goi h LEU 47 Cb 1.18 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3goi h LEU 47 CO 0.72 0.93 0.00 1.05 -0.34 0.00 0.00 178.44 180.79 3goi h GLU 48 N 0.78 0.00 0.00 1.25 9.09 -1.94 -3.22 114.58 120.54 3goi h GLU 48 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3goi h GLU 48 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3goi h GLU 48 CO 0.03 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.34 3goi n THR 49 N -3.04 0.00 0.21 -1.06 -2.24 -0.77 -4.77 114.28 102.61 3goi n THR 49 Ca -0.02 -0.15 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3goi n THR 49 Cb 0.10 1.46 0.64 0.00 -2.10 0.00 0.00 70.33 70.44 3goi n THR 49 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3goi h HIS 50 N 0.00 0.01 -0.08 4.78 2.07 -0.96 -2.43 115.15 118.55 3goi h HIS 50 Ca 0.00 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.35 3goi h HIS 50 Cb 0.23 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 3goi h HIS 50 CO 0.00 0.01 -0.68 1.49 -3.07 0.00 0.00 177.93 175.68 3goi h GLU 51 N 0.02 0.33 -0.18 5.12 4.81 -1.86 -3.21 114.58 119.60 3goi h GLU 51 Ca 0.05 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3goi h GLU 51 Cb 0.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3goi h GLU 51 CO -0.00 0.88 0.00 -0.85 -0.73 0.00 0.00 179.01 178.31 3goi n GLU 52 N -3.84 1.87 -2.36 1.92 0.00 -1.12 -4.98 120.64 112.13 3goi n GLU 52 Ca -0.03 -1.61 -0.41 0.00 0.00 0.00 0.00 57.16 55.10 3goi n GLU 52 Cb 0.67 -1.21 -0.03 0.00 0.00 0.00 0.00 31.44 30.87 3goi n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3goi s ALA 53 N -0.92 3.44 0.30 -1.84 0.00 -0.93 -4.93 121.76 116.88 3goi s ALA 53 Ca 0.16 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3goi s ALA 53 Cb 0.09 -3.43 0.46 0.00 0.00 0.00 0.00 23.12 20.25 3goi s ALA 53 CO 0.13 -0.40 1.84 0.66 0.00 0.00 0.00 175.76 177.98 3goi h SER 54 N 5.53 0.68 -3.29 0.00 4.64 -1.91 -3.37 113.55 115.82 3goi h SER 54 Ca -0.44 -0.13 -0.74 0.00 -0.47 0.00 0.00 61.79 60.02 3goi h SER 54 Cb 1.21 -0.18 -0.24 0.00 -0.31 0.00 0.00 62.40 62.89 3goi h SER 54 CO 0.76 0.70 -0.34 -0.69 -0.87 0.00 0.00 176.83 176.39 3goi s VAL 55 N -5.11 4.98 0.01 0.95 1.01 -1.26 -4.41 120.40 116.58 3goi s VAL 55 Ca -0.09 -1.25 0.16 0.00 0.00 0.00 0.00 61.98 60.81 3goi s VAL 55 Cb 0.15 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.57 3goi s VAL 55 CO 0.79 -0.63 1.57 0.11 0.00 0.00 0.00 175.10 176.94 3goi h LYS 56 N 8.69 0.00 -5.54 2.72 1.57 -1.72 -3.32 116.57 118.97 3goi h LYS 56 Ca -0.27 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.23 3goi h LYS 56 Cb 1.10 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.60 3goi h LYS 56 CO 0.88 0.47 -0.83 -1.33 -0.57 0.00 0.00 179.45 178.07 3goi n MET 57 N -3.37 -3.61 -2.77 3.15 2.81 -0.78 -4.65 117.12 107.90 3goi n MET 57 Ca 0.01 0.85 -0.43 0.00 -1.81 0.00 0.00 57.70 56.32 3goi n MET 57 Cb 0.64 -5.79 -0.03 0.00 -0.71 0.00 0.00 33.22 27.33 3goi n MET 57 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3goi s LEU 58 N -5.74 3.99 0.33 4.03 1.43 0.19 -4.76 118.68 118.17 3goi s LEU 58 Ca 0.31 0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 53.96 3goi s LEU 58 Cb -0.04 -3.34 -0.13 0.00 0.03 0.00 0.00 46.19 42.71 3goi s LEU 58 CO 0.74 -0.80 1.02 -2.65 0.23 0.00 0.00 176.35 174.89 3goi n PRO 59 N 6.65 1.40 0.00 1.29 -0.02 -1.26 -1.00 135.00 142.06 3goi n PRO 59 Ca 0.08 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 62.09 3goi n PRO 59 Cb 0.48 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 3goi n PRO 59 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3goi n THR 60 N 0.00 0.00 -0.90 3.45 -2.24 -1.08 -4.41 114.28 109.10 3goi n THR 60 Ca 0.09 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3goi n THR 60 Cb 0.35 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3goi n THR 60 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3goi n TYR 61 N -0.89 0.00 -2.44 4.78 4.01 -1.26 -4.61 117.16 116.75 3goi n TYR 61 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3goi n TYR 61 Cb 0.13 -1.43 -0.03 0.00 -0.31 0.00 0.00 39.34 37.69 3goi n TYR 61 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3goi s VAL 62 N -1.36 4.11 0.17 -0.72 1.01 -1.26 -4.85 120.40 117.50 3goi s VAL 62 Ca 0.00 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.56 3goi s VAL 62 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3goi s VAL 62 CO 0.00 0.10 -0.15 -0.13 0.00 0.00 0.00 175.10 174.93 3goi s ARG 63 N 1.22 1.21 1.06 2.72 0.52 -1.26 -1.18 118.95 123.24 3goi s ARG 63 Ca 0.58 -1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.17 3goi s ARG 63 Cb -0.28 -1.05 0.23 0.00 0.52 0.00 0.00 34.95 34.37 3goi s ARG 63 CO 0.28 0.19 1.20 -1.54 0.02 0.00 0.00 175.30 175.45 3goi s SER 64 N -2.96 2.16 -0.29 0.23 1.04 -0.57 -4.42 113.70 108.89 3goi s SER 64 Ca 0.17 0.53 -0.26 0.00 0.48 0.00 0.00 55.95 56.88 3goi s SER 64 Cb -0.02 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.39 3goi s SER 64 CO 0.05 -3.35 0.43 0.35 0.98 0.00 0.00 173.24 171.70 3goi n THR 65 N -4.22 -2.53 0.11 2.02 -2.24 -1.26 -4.91 114.28 101.25 3goi n THR 65 Ca 0.13 0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.85 3goi n THR 65 Cb 0.59 -2.37 -0.06 0.00 -2.10 0.00 0.00 70.33 66.40 3goi n THR 65 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3goi h PRO 66 N 1.52 -0.48 -3.71 -0.78 0.13 -2.03 -3.48 132.00 123.17 3goi h PRO 66 Ca -0.37 0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 3goi h PRO 66 Cb 0.95 0.11 0.07 0.00 0.13 0.00 0.00 31.00 32.26 3goi h PRO 66 CO 0.15 -0.32 -0.29 -1.91 -0.23 0.00 0.00 178.00 175.39 3goi n GLU 67 N -5.40 -1.17 -0.11 0.86 2.13 -1.26 -4.95 120.64 110.75 3goi n GLU 67 Ca -0.07 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3goi n GLU 67 Cb 0.31 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 28.84 3goi n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3goi n GLY 68 N -1.32 -3.17 3.41 8.31 0.00 -1.26 -5.14 105.19 106.03 3goi n GLY 68 Ca -0.04 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3goi n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3goi s SER 69 N -1.85 0.50 1.13 1.61 1.04 -1.26 -4.84 113.70 110.02 3goi s SER 69 Ca 0.00 -1.33 -0.18 0.00 0.48 0.00 0.00 55.95 54.92 3goi s SER 69 Cb 0.00 0.55 0.26 0.00 0.10 0.00 0.00 66.02 66.93 3goi s SER 69 CO 0.00 -1.10 1.18 -1.61 0.98 0.00 0.00 173.24 172.69 3goi s GLU 70 N -3.68 -0.65 0.33 4.02 0.41 -0.50 -4.98 118.70 113.65 3goi s GLU 70 Ca 0.32 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3goi s GLU 70 Cb 0.02 -1.67 -0.01 0.00 -1.78 0.00 0.00 34.13 30.69 3goi s GLU 70 CO 0.16 -3.31 0.40 0.14 -0.49 0.00 0.00 175.26 172.16 3goi s VAL 71 N -3.28 0.00 0.00 2.63 -7.23 -1.26 -4.89 120.40 106.37 3goi s VAL 71 Ca 0.72 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3goi s VAL 71 Cb -0.08 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3goi s VAL 71 CO 0.55 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 3goi n GLY 72 N -0.56 -1.71 3.82 2.32 0.00 0.25 -4.87 105.19 104.43 3goi n GLY 72 Ca 0.03 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 3goi n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3goi s ASP 73 N -4.00 6.95 0.01 1.61 1.11 -1.26 -1.94 116.67 119.15 3goi s ASP 73 Ca 0.00 1.66 -0.02 0.00 0.18 0.00 0.00 52.55 54.37 3goi s ASP 73 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 3goi s ASP 73 CO 0.00 -0.32 0.02 -0.36 1.18 0.00 0.00 175.17 175.69 3goi s PHE 74 N -2.12 0.16 -0.10 4.23 0.40 0.97 -4.65 117.98 116.87 3goi s PHE 74 Ca 0.60 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.60 3goi s PHE 74 Cb -0.10 -0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.29 3goi s PHE 74 CO 0.14 -0.19 -0.14 -1.17 0.70 0.00 0.00 175.22 174.56 3goi s LEU 75 N -1.26 2.68 -0.03 -0.37 0.20 -0.60 0.90 118.68 120.21 3goi s LEU 75 Ca -0.14 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.43 3goi s LEU 75 Cb -0.08 -1.58 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 3goi s LEU 75 CO -0.00 0.23 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.69 3goi s SER 76 N -0.03 1.95 0.08 3.68 0.01 -0.09 -1.16 113.70 118.13 3goi s SER 76 Ca -0.03 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.96 3goi s SER 76 Cb -0.14 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 3goi s SER 76 CO 0.04 0.17 0.00 -0.76 0.41 0.00 0.00 173.24 173.10 3goi s LEU 77 N -0.15 3.47 -0.21 2.44 1.43 -0.80 -1.28 118.68 123.58 3goi s LEU 77 Ca 0.01 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3goi s LEU 77 Cb -0.09 -2.17 0.06 0.00 0.03 0.00 0.00 46.19 44.02 3goi s LEU 77 CO 0.01 0.19 -0.02 -0.62 0.23 0.00 0.00 176.35 176.14 3goi s ASP 78 N -2.18 3.35 -0.04 2.29 3.68 -0.59 0.77 116.67 123.94 3goi s ASP 78 Ca 0.25 -0.97 0.05 0.00 2.13 0.00 0.00 52.55 54.01 3goi s ASP 78 Cb -0.12 -0.92 -0.02 0.00 -1.45 0.00 0.00 42.92 40.41 3goi s ASP 78 CO 0.17 -0.25 -0.18 -0.22 0.13 0.00 0.00 175.17 174.81 3goi s LEU 79 N 1.60 2.49 0.00 -1.34 2.96 -0.81 -1.85 118.68 121.74 3goi s LEU 79 Ca -0.03 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 3goi s LEU 79 Cb -0.18 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3goi s LEU 79 CO -0.07 0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 3goi n GLY 80 N 2.35 1.00 3.60 7.98 0.00 -1.26 -2.60 105.19 116.26 3goi n GLY 80 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3goi n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3goi s GLY 81 N -0.55 1.58 0.15 -0.02 0.00 -1.26 -4.97 107.32 102.26 3goi s GLY 81 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.50 3goi s GLY 81 CO 0.00 0.52 1.67 -0.84 0.00 0.00 0.00 173.10 174.45 3goi h THR 82 N -2.14 1.23 -4.10 0.90 2.02 -1.98 -3.41 112.91 105.43 3goi h THR 82 Ca -0.55 -0.79 -0.45 0.00 0.77 0.00 0.00 66.41 65.39 3goi h THR 82 Cb 1.31 0.78 0.15 0.00 -1.74 0.00 0.00 68.15 68.66 3goi h THR 82 CO 0.52 0.29 0.41 0.20 0.37 0.00 0.00 175.52 177.31 3goi s ASN 83 N -6.10 3.24 -0.01 4.18 0.02 -1.26 -4.54 114.94 110.45 3goi s ASN 83 Ca -0.13 0.38 0.03 0.00 -1.02 0.00 0.00 52.86 52.12 3goi s ASN 83 Cb 0.12 -0.52 -0.00 0.00 0.02 0.00 0.00 41.25 40.86 3goi s ASN 83 CO 0.79 -2.67 -0.09 0.12 0.02 0.00 0.00 177.10 175.27 3goi s PHE 84 N -3.78 0.85 0.03 2.20 2.19 -0.66 -4.35 117.98 114.45 3goi s PHE 84 Ca 0.72 -0.18 0.05 0.00 0.33 0.00 0.00 56.93 57.85 3goi s PHE 84 Cb -0.05 -0.57 -0.02 0.00 -1.31 0.00 0.00 43.02 41.07 3goi s PHE 84 CO 0.53 -0.04 -0.15 1.03 1.83 0.00 0.00 175.22 178.41 3goi s ARG 85 N -0.09 1.05 -0.07 10.12 0.52 -0.77 -1.03 118.95 128.69 3goi s ARG 85 Ca 0.02 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3goi s ARG 85 Cb -0.05 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.36 3goi s ARG 85 CO -0.00 0.27 -0.14 0.08 0.02 0.00 0.00 175.30 175.54 3goi s VAL 86 N -0.74 1.23 0.08 3.52 1.01 -0.77 -1.55 120.40 123.18 3goi s VAL 86 Ca 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3goi s VAL 86 Cb -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3goi s VAL 86 CO 0.01 0.38 0.10 0.00 0.00 0.00 0.00 175.10 175.59 3goi s MET 87 N 0.62 0.76 -0.19 2.72 0.23 -0.40 -1.94 119.30 121.10 3goi s MET 87 Ca -0.15 -1.09 -0.07 0.00 -1.03 0.00 0.00 55.69 53.36 3goi s MET 87 Cb -0.16 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 3goi s MET 87 CO 0.04 -0.21 0.04 -1.17 -2.03 0.00 0.00 175.02 171.70 3goi s LEU 88 N -2.89 3.65 -0.04 0.18 2.96 0.73 -0.91 118.68 122.36 3goi s LEU 88 Ca 0.07 -0.00 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3goi s LEU 88 Cb 0.06 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3goi s LEU 88 CO -0.10 0.14 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.17 3goi s VAL 89 N 0.56 1.75 -0.14 1.68 1.01 0.26 -0.21 120.40 125.30 3goi s VAL 89 Ca 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3goi s VAL 89 Cb -0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3goi s VAL 89 CO 0.01 0.49 -0.04 -0.75 0.00 0.00 0.00 175.10 174.81 3goi s LYS 90 N -0.23 3.55 -0.20 2.72 2.20 -0.51 -0.02 119.74 127.25 3goi s LYS 90 Ca 0.01 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 3goi s LYS 90 Cb -0.11 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.37 3goi s LYS 90 CO 0.02 0.30 -0.17 0.08 -0.36 0.00 0.00 175.35 175.21 3goi s VAL 91 N 0.20 2.07 0.00 4.02 1.01 -0.82 -2.02 120.40 124.86 3goi s VAL 91 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.85 3goi s VAL 91 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3goi s VAL 91 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3goi n GLY 92 N 4.58 5.01 3.68 4.51 0.00 -1.16 -0.58 105.19 121.22 3goi n GLY 92 Ca -0.19 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 3goi n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3goi s GLU 93 N -1.23 4.12 0.46 1.61 2.02 -1.26 -1.20 118.70 123.22 3goi s GLU 93 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.83 3goi s GLU 93 Cb 0.00 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 3goi s GLU 93 CO 0.00 0.11 0.05 0.20 0.02 0.00 0.00 175.26 175.64 3goi s GLY 94 N 0.89 2.81 0.22 -1.39 0.00 -0.30 -4.76 107.32 104.79 3goi s GLY 94 Ca 0.09 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3goi s GLY 94 CO 0.04 -2.04 1.53 0.83 0.00 0.00 0.00 173.10 173.46 3goi h GLU 95 N 1.57 0.20 -0.07 2.90 5.08 -1.99 -3.27 114.58 119.01 3goi h GLU 95 Ca -0.40 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 57.63 3goi h GLU 95 Cb 1.29 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.58 3goi h GLU 95 CO 0.68 0.79 -0.61 0.93 -1.00 0.00 0.00 179.01 179.80 3goi h GLU 96 N 0.14 0.53 0.00 2.33 4.39 -1.96 -3.49 114.58 116.53 3goi h GLU 96 Ca -0.01 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3goi h GLU 96 Cb 1.19 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3goi h GLU 96 CO 0.10 1.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.47 3goi n GLY 97 N 0.85 -0.64 3.70 -3.84 0.00 -1.23 -5.09 105.19 98.93 3goi n GLY 97 Ca -0.09 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3goi n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3goi s GLN 98 N -0.57 4.46 0.89 1.61 1.11 -1.26 -1.15 119.66 124.75 3goi s GLN 98 Ca 0.00 1.36 -0.13 0.00 0.01 0.00 0.00 55.36 56.61 3goi s GLN 98 Cb 0.00 -3.51 0.13 0.00 -1.01 0.00 0.00 33.01 28.61 3goi s GLN 98 CO 0.00 -0.21 1.17 1.67 0.01 0.00 0.00 175.29 177.93 3goi s TRP 99 N 1.63 2.52 -0.05 0.91 1.48 -0.34 -4.77 118.94 120.32 3goi s TRP 99 Ca 0.49 0.74 -0.29 0.00 -1.06 0.00 0.00 56.10 55.98 3goi s TRP 99 Cb -0.19 -3.51 0.10 0.00 -1.16 0.00 0.00 33.47 28.71 3goi s TRP 99 CO 0.21 -2.21 0.87 -1.54 -4.06 0.00 0.00 176.95 170.22 3goi s SER 100 N -4.34 -0.42 -0.28 -2.66 1.04 -1.26 -3.00 113.70 102.79 3goi s SER 100 Ca 0.64 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.10 3goi s SER 100 Cb -0.12 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.47 3goi s SER 100 CO 0.52 -0.56 0.71 0.54 0.98 0.00 0.00 173.24 175.42 3goi s VAL 101 N -2.29 0.00 0.22 5.02 0.11 -0.86 -4.99 120.40 117.63 3goi s VAL 101 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 3goi s VAL 101 Cb -0.01 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.75 3goi s VAL 101 CO -0.04 0.00 1.30 -0.75 -3.33 0.00 0.00 175.10 172.28 3goi s LYS 102 N 1.18 4.40 0.00 1.54 2.20 -1.26 -1.43 119.74 126.37 3goi s LYS 102 Ca -0.06 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3goi s LYS 102 Cb -0.05 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3goi s LYS 102 CO -0.12 -0.21 0.00 0.25 -0.36 0.00 0.00 175.35 174.90 3goi n THR 103 N 2.25 0.00 -3.81 3.43 -2.24 0.70 -4.93 114.28 109.69 3goi n THR 103 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3goi n THR 103 Cb 0.43 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 3goi n THR 103 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3goi s LYS 104 N -1.80 0.55 0.01 -0.78 1.02 -1.18 -4.96 119.74 112.60 3goi s LYS 104 Ca 0.00 -0.20 -0.17 0.00 0.02 0.00 0.00 55.97 55.61 3goi s LYS 104 Cb 0.00 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.58 3goi s LYS 104 CO 0.00 -0.14 0.37 -1.58 -0.92 0.00 0.00 175.35 173.08 3goi s HIS 105 N -1.17 -0.23 -0.28 3.18 5.65 -1.26 -0.19 115.29 120.98 3goi s HIS 105 Ca -0.12 0.28 -0.21 0.00 0.25 0.00 0.00 55.06 55.25 3goi s HIS 105 Cb -0.06 0.16 0.08 0.00 -1.18 0.00 0.00 32.58 31.59 3goi s HIS 105 CO 0.03 -0.48 0.76 -1.14 -0.65 0.00 0.00 174.74 173.25 3goi s GLN 106 N -1.88 0.73 0.30 2.88 2.00 -0.82 -4.98 119.66 117.90 3goi s GLN 106 Ca -0.09 1.02 -0.09 0.00 -2.00 0.00 0.00 55.36 54.19 3goi s GLN 106 Cb -0.03 0.28 -0.07 0.00 0.80 0.00 0.00 33.01 33.99 3goi s GLN 106 CO 0.01 -0.11 0.63 -1.64 -0.50 0.00 0.00 175.29 173.68 3goi s MET 107 N 0.87 3.79 -0.06 1.67 -1.94 -1.26 -1.85 119.30 120.52 3goi s MET 107 Ca -0.04 0.32 -0.01 0.00 -1.71 0.00 0.00 55.69 54.25 3goi s MET 107 Cb -0.05 -2.55 0.03 0.00 2.01 0.00 0.00 34.83 34.27 3goi s MET 107 CO -0.08 0.18 0.02 0.71 -0.01 0.00 0.00 175.02 175.84 3goi s TYR 108 N -2.04 0.47 1.00 -0.03 1.51 -0.20 -4.96 117.35 113.11 3goi s TYR 108 Ca 0.48 -0.04 -0.14 0.00 -1.01 0.00 0.00 57.07 56.37 3goi s TYR 108 Cb -0.11 -0.67 0.07 0.00 -0.11 0.00 0.00 41.96 41.15 3goi s TYR 108 CO 0.25 -0.26 0.36 0.45 -1.11 0.00 0.00 175.55 175.24 3goi n SER 109 N 5.03 -2.02 -3.74 2.29 2.88 -1.26 -1.65 113.62 115.15 3goi n SER 109 Ca -0.09 0.20 -0.30 0.00 -1.33 0.00 0.00 58.87 57.35 3goi n SER 109 Cb 0.50 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 62.65 3goi n SER 109 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3goi s ILE 110 N -2.37 0.86 0.32 2.46 -5.25 -1.26 -4.83 121.20 111.14 3goi s ILE 110 Ca 0.58 -1.34 -0.28 0.00 -0.99 0.00 0.00 60.65 58.61 3goi s ILE 110 Cb -0.19 -1.63 -0.12 0.00 2.95 0.00 0.00 42.46 43.47 3goi s ILE 110 CO 0.67 -0.64 1.30 -2.65 -1.79 0.00 0.00 174.94 171.83 3goi n PRO 111 N 4.86 2.09 0.19 0.37 -0.02 -1.26 -4.77 135.00 136.46 3goi n PRO 111 Ca -0.03 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3goi n PRO 111 Cb 0.42 -2.32 0.66 0.00 -0.02 0.00 0.00 33.50 32.24 3goi n PRO 111 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3goi h GLU 112 N 2.79 0.00 0.00 -0.52 -0.00 -2.00 -1.55 114.58 113.31 3goi h GLU 112 Ca -0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 58.79 3goi h GLU 112 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.02 3goi h GLU 112 CO 0.64 0.00 -0.55 0.38 -0.00 0.00 0.00 179.01 179.49 3goi h ASP 113 N 0.00 0.00 0.22 3.06 2.03 -1.97 -1.19 116.42 118.57 3goi h ASP 113 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3goi h ASP 113 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3goi h ASP 113 CO 0.00 0.55 -0.11 0.00 -1.03 0.00 0.00 179.24 178.65 3goi h ALA 114 N 1.45 -0.30 -0.99 4.15 0.00 -1.67 -3.20 119.26 118.70 3goi h ALA 114 Ca -0.01 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.12 3goi h ALA 114 Cb 1.31 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.06 3goi h ALA 114 CO 0.07 -0.29 0.54 0.52 0.00 0.00 0.00 179.25 180.09 3goi h MET 115 N -1.05 0.27 -0.01 0.00 2.86 -1.45 0.76 114.93 116.31 3goi h MET 115 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3goi h MET 115 Cb 0.32 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3goi h MET 115 CO 0.05 0.18 -0.08 2.41 1.06 0.00 0.00 176.91 180.53 3goi n THR 116 N -5.09 0.00 0.00 2.22 -1.04 -0.45 -1.96 114.28 107.96 3goi n THR 116 Ca 0.32 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3goi n THR 116 Cb 1.00 0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.67 3goi n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3goi n GLY 117 N 1.20 -2.69 3.99 3.41 0.00 0.26 -4.60 105.19 106.76 3goi n GLY 117 Ca 0.17 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 3goi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3goi s THR 118 N 0.00 3.69 0.07 2.61 -4.23 -1.26 -1.82 115.64 114.70 3goi s THR 118 Ca 0.00 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 3goi s THR 118 Cb 0.00 -3.29 -0.15 0.00 1.34 0.00 0.00 72.50 70.40 3goi s THR 118 CO 0.00 -0.13 1.49 0.00 -0.54 0.00 0.00 174.62 175.43 3goi h ALA 119 N 0.69 -1.12 0.00 3.99 0.00 -0.58 -2.32 119.26 119.92 3goi h ALA 119 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3goi h ALA 119 Cb 1.26 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3goi h ALA 119 CO 0.51 -1.14 0.17 1.05 0.00 0.00 0.00 179.25 179.84 3goi h GLU 120 N -0.91 0.00 0.39 0.00 9.09 -1.88 0.25 114.58 121.52 3goi h GLU 120 Ca -0.06 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.33 3goi h GLU 120 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 3goi h GLU 120 CO -0.03 0.00 -0.19 1.98 0.05 0.00 0.00 179.01 180.82 3goi h MET 121 N 0.00 -0.51 -0.90 1.06 4.05 -1.86 -1.57 114.93 115.20 3goi h MET 121 Ca 0.00 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 3goi h MET 121 Cb 0.33 0.12 -0.09 0.00 -0.80 0.00 0.00 31.60 31.16 3goi h MET 121 CO 0.00 -0.28 0.51 1.25 0.23 0.00 0.00 176.91 178.63 3goi h LEU 122 N -1.09 0.69 -0.63 3.39 6.46 -0.07 0.67 115.31 124.73 3goi h LEU 122 Ca -0.05 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3goi h LEU 122 Cb 0.47 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3goi h LEU 122 CO 0.09 0.33 0.00 -0.26 -0.62 0.00 0.00 178.44 177.98 3goi h PHE 123 N 0.77 0.00 0.19 1.25 -1.00 -1.10 -0.39 116.94 116.66 3goi h PHE 123 Ca 0.47 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.24 3goi h PHE 123 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 3goi h PHE 123 CO -0.05 0.00 -0.09 -0.44 -1.61 0.00 0.00 178.31 176.12 3goi h ASP 124 N 0.00 -0.21 -0.84 2.17 3.32 0.12 0.48 116.42 121.46 3goi h ASP 124 Ca 0.00 -0.26 0.20 0.00 0.02 0.00 0.00 57.03 57.00 3goi h ASP 124 Cb 0.73 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.21 3goi h ASP 124 CO 0.00 0.17 0.26 0.22 -1.72 0.00 0.00 179.24 178.16 3goi h TYR 125 N -0.62 0.40 -0.76 4.55 5.03 -0.26 0.45 116.97 125.76 3goi h TYR 125 Ca -0.03 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3goi h TYR 125 Cb 0.46 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 3goi h TYR 125 CO 0.04 -0.12 0.45 0.82 -1.32 0.00 0.00 178.16 178.02 3goi h ILE 126 N 0.28 1.22 -0.86 1.81 2.04 -1.05 -1.55 117.51 119.40 3goi h ILE 126 Ca 0.51 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3goi h ILE 126 Cb 0.96 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3goi h ILE 126 CO -0.57 0.23 0.44 0.28 0.00 0.00 0.00 178.15 178.53 3goi h SER 127 N 1.04 1.10 -0.25 1.72 0.02 0.16 -1.64 113.55 115.70 3goi h SER 127 Ca 0.27 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3goi h SER 127 Cb -0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3goi h SER 127 CO -0.05 0.91 0.16 -0.08 -1.14 0.00 0.00 176.83 176.63 3goi h GLU 128 N 1.22 0.33 -0.17 3.45 4.81 0.15 -2.08 114.58 122.29 3goi h GLU 128 Ca 0.30 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3goi h GLU 128 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3goi h GLU 128 CO -0.04 0.22 0.08 0.00 -0.73 0.00 0.00 179.01 178.53 3goi h ILE 130 N 0.23 1.40 -0.55 0.00 2.04 -0.79 -2.19 117.51 117.65 3goi h ILE 130 Ca 0.06 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.67 3goi h ILE 130 Cb 0.03 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3goi h ILE 130 CO -0.01 0.35 0.30 0.77 0.00 0.00 0.00 178.15 179.57 3goi h SER 131 N -0.36 0.46 -0.46 1.72 4.64 -0.87 -0.71 113.55 117.99 3goi h SER 131 Ca 0.01 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3goi h SER 131 Cb 0.60 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.53 3goi h SER 131 CO 0.01 0.32 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.41 3goi h ASP 132 N 0.59 -0.40 -0.74 4.97 1.82 -1.07 0.10 116.42 121.70 3goi h ASP 132 Ca 0.23 0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 56.95 3goi h ASP 132 Cb 0.10 0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 3goi h ASP 132 CO -0.14 -0.14 0.24 0.15 -1.61 0.00 0.00 179.24 177.74 3goi h PHE 133 N 0.01 1.18 0.00 0.28 3.57 -0.84 -2.03 116.94 119.12 3goi h PHE 133 Ca 0.22 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3goi h PHE 133 Cb 0.34 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3goi h PHE 133 CO -0.38 0.93 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.29 3goi h LEU 134 N 1.10 0.00 0.14 0.59 3.38 -0.05 -2.90 115.31 117.57 3goi h LEU 134 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3goi h LEU 134 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3goi h LEU 134 CO -0.01 0.26 -0.07 0.44 0.09 0.00 0.00 178.44 179.16 3goi h ASP 135 N 0.00 -0.16 0.00 -0.43 3.32 -0.44 0.62 116.42 119.33 3goi h ASP 135 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3goi h ASP 135 Cb 0.99 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3goi h ASP 135 CO 0.03 -0.10 0.10 0.29 -1.72 0.00 0.00 179.24 177.84 3goi n LYS 136 N -2.57 0.00 -0.03 3.56 5.02 -0.80 -0.39 118.16 122.95 3goi n LYS 136 Ca -0.02 0.22 0.03 0.00 -2.02 0.00 0.00 58.31 56.52 3goi n LYS 136 Cb 0.07 -1.60 0.04 0.00 -0.02 0.00 0.00 35.03 33.53 3goi n LYS 136 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3goi n HIS 137 N -1.16 0.02 -2.80 2.13 8.25 -1.10 -4.99 115.22 115.57 3goi n HIS 137 Ca 0.00 -0.64 -0.14 0.00 -0.26 0.00 0.00 57.72 56.69 3goi n HIS 137 Cb 0.10 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.16 3goi n HIS 137 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3goi n GLN 138 N -0.73 -3.35 0.00 -0.41 3.00 0.47 -4.97 117.38 111.40 3goi n GLN 138 Ca 0.05 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 3goi n GLN 138 Cb 0.36 -4.68 0.00 0.00 0.00 0.00 0.00 30.24 25.92 3goi n GLN 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3goi n MET 139 N -2.85 1.99 -0.41 -1.09 2.81 0.21 -4.78 117.12 113.01 3goi n MET 139 Ca -0.06 0.00 0.35 0.00 -1.81 0.00 0.00 57.70 56.18 3goi n MET 139 Cb 0.57 -0.81 0.60 0.00 -0.71 0.00 0.00 33.22 32.86 3goi n MET 139 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3goi n LYS 140 N -1.15 -0.03 -0.11 0.03 3.00 -1.00 -0.96 118.16 117.94 3goi n LYS 140 Ca 0.00 1.13 0.02 0.00 -0.00 0.00 0.00 58.31 59.46 3goi n LYS 140 Cb 0.00 -2.20 0.07 0.00 0.00 0.00 0.00 35.03 32.89 3goi n LYS 140 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3goi n HIS 141 N -4.55 0.27 -4.17 5.64 1.44 -1.26 -4.61 115.22 107.98 3goi n HIS 141 Ca 0.36 -0.11 -0.33 0.00 -2.01 0.00 0.00 57.72 55.62 3goi n HIS 141 Cb 1.37 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 31.34 3goi n HIS 141 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3goi s LYS 142 N -1.64 3.00 -0.34 -1.40 -0.14 -0.13 -5.05 119.74 114.04 3goi s LYS 142 Ca 0.10 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 54.06 3goi s LYS 142 Cb 0.06 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.38 3goi s LYS 142 CO 0.05 0.65 0.40 0.21 -0.76 0.00 0.00 175.35 175.90 3goi s LYS 143 N -1.56 3.61 0.06 1.68 2.20 -1.25 -4.62 119.74 119.86 3goi s LYS 143 Ca 0.20 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3goi s LYS 143 Cb -0.12 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 3goi s LYS 143 CO 0.11 -0.53 0.08 -0.51 -0.36 0.00 0.00 175.35 174.14 3goi s LEU 144 N 2.10 3.83 0.17 5.43 1.43 -1.24 -4.90 118.68 125.50 3goi s LEU 144 Ca 0.13 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 3goi s LEU 144 Cb -0.16 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 3goi s LEU 144 CO 0.12 0.20 1.25 -2.16 0.23 0.00 0.00 176.35 175.99 3goi s PRO 145 N -2.22 4.44 -0.23 1.29 0.05 -1.26 -2.08 135.00 134.99 3goi s PRO 145 Ca 0.28 1.94 0.01 0.00 0.05 0.00 0.00 61.00 63.28 3goi s PRO 145 Cb -0.12 -3.23 0.03 0.00 0.05 0.00 0.00 34.50 31.23 3goi s PRO 145 CO 0.20 -0.19 -0.12 -1.17 0.05 0.00 0.00 177.00 175.77 3goi s LEU 146 N 0.02 2.90 -0.04 -3.56 0.20 0.14 -1.56 118.68 116.78 3goi s LEU 146 Ca 0.56 -0.95 -0.20 0.00 0.69 0.00 0.00 54.13 54.22 3goi s LEU 146 Cb -0.34 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 3goi s LEU 146 CO 0.36 -0.10 0.57 -0.83 -0.29 0.00 0.00 176.35 176.05 3goi s GLY 147 N 1.24 2.55 -0.23 7.98 0.00 -0.31 -2.35 107.32 116.20 3goi s GLY 147 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3goi s GLY 147 CO -0.08 0.78 -0.11 -0.12 0.00 0.00 0.00 173.10 173.57 3goi s PHE 148 N 0.11 3.04 -0.34 1.90 5.99 -0.03 -1.91 117.98 126.73 3goi s PHE 148 Ca 0.30 -1.76 -0.19 0.00 0.00 0.00 0.00 56.93 55.28 3goi s PHE 148 Cb -0.17 -1.99 -0.00 0.00 0.00 0.00 0.00 43.02 40.86 3goi s PHE 148 CO 0.15 -0.79 0.57 0.99 -0.00 0.00 0.00 175.22 176.14 3goi s THR 149 N 1.26 4.97 -0.25 0.12 2.01 0.23 -0.37 115.64 123.60 3goi s THR 149 Ca -0.01 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 3goi s THR 149 Cb -0.16 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.42 3goi s THR 149 CO -0.07 -0.23 0.00 0.12 -0.69 0.00 0.00 174.62 173.75 3goi s PHE 150 N 2.52 2.10 -1.23 4.92 2.19 0.15 -1.92 117.98 126.71 3goi s PHE 150 Ca 0.21 -1.68 -0.06 0.00 0.33 0.00 0.00 56.93 55.73 3goi s PHE 150 Cb -0.15 -1.61 0.05 0.00 -1.31 0.00 0.00 43.02 40.00 3goi s PHE 150 CO 0.14 -0.78 2.60 0.43 1.83 0.00 0.00 175.22 179.44 3goi n SER 151 N 4.75 7.91 -4.01 6.13 7.64 -1.07 -3.80 113.62 131.17 3goi n SER 151 Ca -0.08 -3.01 -0.08 0.00 1.01 0.00 0.00 58.87 56.72 3goi n SER 151 Cb 0.44 -1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.16 3goi n SER 151 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3goi s PHE 152 N -0.45 0.37 0.23 1.43 0.40 -1.26 -4.90 117.98 113.80 3goi s PHE 152 Ca 0.58 -0.83 -0.31 0.00 -0.60 0.00 0.00 56.93 55.78 3goi s PHE 152 Cb 0.21 -0.27 -0.11 0.00 0.51 0.00 0.00 43.02 43.37 3goi s PHE 152 CO -0.10 -0.39 1.59 -1.25 0.70 0.00 0.00 175.22 175.78 3goi s PRO 153 N -3.44 4.17 -0.03 0.24 0.04 -1.26 -4.93 135.00 129.79 3goi s PRO 153 Ca 0.02 2.49 0.01 0.00 0.04 0.00 0.00 61.00 63.56 3goi s PRO 153 Cb 0.04 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.51 3goi s PRO 153 CO -0.08 -0.62 -0.04 0.08 0.04 0.00 0.00 177.00 176.38 3goi s VAL 154 N 0.58 0.44 -0.36 -0.36 1.01 -1.26 -1.51 120.40 118.94 3goi s VAL 154 Ca 0.67 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3goi s VAL 154 Cb -0.46 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 3goi s VAL 154 CO 0.39 0.18 0.46 -0.60 0.00 0.00 0.00 175.10 175.54 3goi s ARG 155 N 0.64 3.54 0.34 2.72 3.52 -0.42 -4.88 118.95 124.40 3goi s ARG 155 Ca -0.08 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.12 3goi s ARG 155 Cb -0.11 -3.83 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 3goi s ARG 155 CO -0.00 -0.64 0.68 -1.01 -0.81 0.00 0.00 175.30 173.52 3goi s HIS 156 N 2.27 3.44 -0.03 5.12 3.76 -1.26 -0.87 115.29 127.71 3goi s HIS 156 Ca 0.16 0.97 0.11 0.00 -0.15 0.00 0.00 55.06 56.15 3goi s HIS 156 Cb -0.16 -2.37 -0.16 0.00 1.11 0.00 0.00 32.58 31.00 3goi s HIS 156 CO 0.13 0.05 0.20 -1.91 -0.85 0.00 0.00 174.74 172.37 3goi n GLU 157 N -0.84 0.73 -2.70 1.40 2.13 -0.02 -4.93 120.64 116.41 3goi n GLU 157 Ca 0.02 -0.08 -0.03 0.00 0.66 0.00 0.00 57.16 57.72 3goi n GLU 157 Cb 0.54 -1.27 0.01 0.00 0.27 0.00 0.00 31.44 30.99 3goi n GLU 157 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3goi n ASP 158 N -1.99 -1.09 0.00 4.31 4.64 -0.66 -4.98 116.55 116.78 3goi n ASP 158 Ca -0.05 -1.66 0.09 0.00 -1.38 0.00 0.00 54.79 51.79 3goi n ASP 158 Cb 0.40 1.80 0.40 0.00 -1.04 0.00 0.00 41.12 42.67 3goi n ASP 158 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3goi n ILE 159 N -0.36 0.72 -1.93 5.18 0.13 -1.26 -2.24 119.36 119.59 3goi n ILE 159 Ca -0.03 0.18 0.03 0.00 -1.10 0.00 0.00 62.75 61.83 3goi n ILE 159 Cb 0.33 -0.86 0.04 0.00 -0.84 0.00 0.00 39.64 38.31 3goi n ILE 159 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3goi n ASP 160 N -1.49 0.75 -3.56 9.51 5.75 -1.26 -0.90 116.55 125.34 3goi n ASP 160 Ca 0.05 -2.32 -0.01 0.00 -0.01 0.00 0.00 54.79 52.49 3goi n ASP 160 Cb 0.21 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 39.96 3goi n ASP 160 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3goi s LYS 161 N -0.72 0.43 -0.09 0.11 2.20 -0.95 -4.84 119.74 115.88 3goi s LYS 161 Ca 0.16 0.89 -0.32 0.00 -0.36 0.00 0.00 55.97 56.34 3goi s LYS 161 Cb 0.16 0.33 0.12 0.00 -1.51 0.00 0.00 37.83 36.94 3goi s LYS 161 CO -0.04 -0.12 1.07 0.20 -0.36 0.00 0.00 175.35 176.10 3goi s GLY 162 N 2.00 -0.37 0.12 5.54 0.00 -1.26 -0.84 107.32 112.51 3goi s GLY 162 Ca -0.06 1.26 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 3goi s GLY 162 CO -0.17 0.41 0.50 -0.26 0.00 0.00 0.00 173.10 173.58 3goi s ILE 163 N -2.75 4.94 0.05 0.90 -4.36 -0.05 -2.45 121.20 117.48 3goi s ILE 163 Ca 0.08 0.70 -0.30 0.00 -0.26 0.00 0.00 60.65 60.86 3goi s ILE 163 Cb -0.01 -3.70 -0.09 0.00 1.25 0.00 0.00 42.46 39.91 3goi s ILE 163 CO -0.06 0.26 1.80 -0.22 0.24 0.00 0.00 174.94 176.96 3goi s LEU 164 N -1.94 4.39 -0.09 0.37 2.96 -0.93 -1.31 118.68 122.13 3goi s LEU 164 Ca 0.36 2.58 -0.27 0.00 -0.22 0.00 0.00 54.13 56.58 3goi s LEU 164 Cb -0.15 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 3goi s LEU 164 CO 0.19 -0.98 0.94 -0.07 -1.32 0.00 0.00 176.35 175.11 3goi h LEU 165 N 9.52 0.06 -7.00 -0.68 3.38 -1.63 -0.76 115.31 118.19 3goi h LEU 165 Ca -0.45 -0.83 0.10 0.00 0.09 0.00 0.00 57.88 56.78 3goi h LEU 165 Cb 1.21 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 3goi h LEU 165 CO 0.94 0.88 0.48 0.54 0.09 0.00 0.00 178.44 181.38 3goi s ASN 166 N -6.13 -0.38 0.50 -0.43 4.22 -1.26 -4.54 114.94 106.92 3goi s ASN 166 Ca -0.18 0.06 -0.14 0.00 -2.14 0.00 0.00 52.86 50.47 3goi s ASN 166 Cb -0.01 0.39 -0.07 0.00 1.28 0.00 0.00 41.25 42.84 3goi s ASN 166 CO 0.70 -0.61 0.93 0.26 -2.04 0.00 0.00 177.10 176.35 3goi s TRP 167 N -2.89 3.49 0.34 1.54 0.52 -1.26 -4.27 118.94 116.40 3goi s TRP 167 Ca 0.04 1.32 0.03 0.00 0.02 0.00 0.00 56.10 57.51 3goi s TRP 167 Cb -0.01 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.59 3goi s TRP 167 CO -0.08 -0.35 0.13 0.95 0.02 0.00 0.00 176.95 177.63 3goi s THR 168 N -2.65 0.56 -1.21 2.01 -4.23 -1.26 -4.93 115.64 103.94 3goi s THR 168 Ca 0.56 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3goi s THR 168 Cb -0.10 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3goi s THR 168 CO 0.35 0.00 0.20 0.29 -0.54 0.00 0.00 174.62 174.92 3goi n LYS 169 N -0.69 -2.24 -0.29 3.99 5.02 -1.26 -3.05 118.16 119.64 3goi n LYS 169 Ca -0.02 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3goi n LYS 169 Cb 0.65 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 3goi n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3goi n GLY 170 N -1.15 2.18 3.77 0.72 0.00 -1.26 -5.04 105.19 104.41 3goi n GLY 170 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3goi n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3goi s PHE 171 N -3.09 2.60 0.00 1.61 0.40 -1.17 -4.97 117.98 113.35 3goi s PHE 171 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.59 3goi s PHE 171 Cb 0.00 -3.91 0.00 0.00 0.51 0.00 0.00 43.02 39.62 3goi s PHE 171 CO 0.00 -2.77 0.17 1.17 0.70 0.00 0.00 175.22 174.49 3goi n LYS 172 N 0.17 0.00 -1.40 0.44 4.81 -1.25 -4.60 118.16 116.32 3goi n LYS 172 Ca 0.03 -0.17 -0.52 0.00 -0.87 0.00 0.00 58.31 56.78 3goi n LYS 172 Cb 0.41 -0.37 -0.06 0.00 0.02 0.00 0.00 35.03 35.04 3goi n LYS 172 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3goi n ALA 173 N 0.00 -3.24 -2.24 3.14 0.00 -0.83 -4.86 120.51 112.47 3goi n ALA 173 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 3goi n ALA 173 Cb 0.36 -1.63 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 3goi n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3goi s SER 174 N -0.38 6.36 -1.41 0.00 1.04 -0.76 -3.93 113.70 114.62 3goi s SER 174 Ca 0.77 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 58.13 3goi s SER 174 Cb -1.09 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 62.80 3goi s SER 174 CO 0.54 -0.50 0.56 0.61 0.98 0.00 0.00 173.24 175.43 3goi n GLY 175 N -1.87 -0.50 0.07 7.32 0.00 -1.26 0.11 105.19 109.05 3goi n GLY 175 Ca 0.01 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3goi n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3goi n ALA 176 N -3.57 1.69 -1.68 4.61 0.00 -1.25 -4.58 120.51 115.73 3goi n ALA 176 Ca -0.06 -0.72 -0.50 0.00 0.00 0.00 0.00 53.44 52.16 3goi n ALA 176 Cb 0.58 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 3goi n ALA 176 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3goi n GLU 177 N -2.67 1.88 0.00 0.00 1.02 -1.26 -1.14 120.64 118.47 3goi n GLU 177 Ca -0.23 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3goi n GLU 177 Cb 0.84 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3goi n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3goi n GLY 178 N 4.11 0.54 3.69 0.62 0.00 -0.29 -4.96 105.19 108.90 3goi n GLY 178 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3goi n GLY 178 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3goi s ASN 179 N -2.77 4.15 -0.96 1.61 0.01 -0.29 -4.83 114.94 111.86 3goi s ASN 179 Ca 0.00 -1.27 -0.22 0.00 -0.71 0.00 0.00 52.86 50.65 3goi s ASN 179 Cb 0.00 -0.32 0.07 0.00 0.41 0.00 0.00 41.25 41.41 3goi s ASN 179 CO 0.00 -0.55 1.34 0.21 -1.51 0.00 0.00 177.10 176.59 3goi s ASN 180 N -3.83 6.48 0.26 -1.22 3.04 -1.26 -2.19 114.94 116.23 3goi s ASN 180 Ca 0.35 -1.47 -0.08 0.00 0.04 0.00 0.00 52.86 51.70 3goi s ASN 180 Cb 0.06 -2.52 0.43 0.00 -1.54 0.00 0.00 41.25 37.68 3goi s ASN 180 CO 0.19 -1.44 1.49 0.52 -3.04 0.00 0.00 177.10 174.82 3goi n VAL 181 N 6.48 -0.41 -0.32 -5.21 0.31 -1.03 0.66 118.33 118.81 3goi n VAL 181 Ca 0.26 2.19 -0.04 0.00 -0.01 0.00 0.00 64.34 66.74 3goi n VAL 181 Cb 0.50 -3.02 0.08 0.00 -0.91 0.00 0.00 33.84 30.49 3goi n VAL 181 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3goi h VAL 182 N 0.00 1.25 -0.86 2.52 2.07 -1.89 -1.10 116.25 118.25 3goi h VAL 182 Ca 0.45 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.45 3goi h VAL 182 Cb 0.69 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3goi h VAL 182 CO -0.98 0.28 0.56 1.23 0.02 0.00 0.00 177.57 178.67 3goi h GLY 183 N 1.21 1.23 0.51 2.17 0.00 -0.13 -1.74 103.07 106.32 3goi h GLY 183 Ca 0.31 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3goi h GLY 183 CO -0.05 0.25 -0.10 1.41 0.00 0.00 0.00 176.54 178.04 3goi h LEU 184 N 0.91 -0.34 0.56 3.11 3.38 0.09 -1.39 115.31 121.63 3goi h LEU 184 Ca 0.38 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 3goi h LEU 184 Cb 0.30 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3goi h LEU 184 CO -0.15 -0.14 -0.45 0.25 0.09 0.00 0.00 178.44 178.04 3goi h LEU 185 N -0.09 -1.21 -0.71 1.67 5.85 -0.74 -2.15 115.31 117.93 3goi h LEU 185 Ca 0.10 0.09 0.21 0.00 0.84 0.00 0.00 57.88 59.12 3goi h LEU 185 Cb 0.25 0.38 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 3goi h LEU 185 CO -0.24 -0.64 0.07 0.54 -0.34 0.00 0.00 178.44 177.84 3goi n ARG 186 N -5.23 -0.05 -0.31 1.25 1.74 -0.74 -1.68 116.66 111.64 3goi n ARG 186 Ca -0.12 1.04 -0.03 0.00 -0.77 0.00 0.00 57.85 57.98 3goi n ARG 186 Cb 0.43 -1.69 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 3goi n ARG 186 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3goi n ASP 187 N -4.91 2.82 0.00 0.55 8.00 -0.53 -1.16 116.55 121.32 3goi n ASP 187 Ca 0.18 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.31 3goi n ASP 187 Cb 0.60 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3goi n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3goi n ALA 188 N 0.10 2.72 -0.11 2.24 0.00 -0.68 -4.12 120.51 120.66 3goi n ALA 188 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.51 3goi n ALA 188 Cb 0.69 0.19 0.01 0.00 0.00 0.00 0.00 19.45 20.33 3goi n ALA 188 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3goi h ILE 189 N 0.00 0.65 -0.10 0.00 2.04 -1.35 -1.92 117.51 116.83 3goi h ILE 189 Ca 0.00 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3goi h ILE 189 Cb 0.37 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3goi h ILE 189 CO 0.00 0.00 -0.42 0.11 0.00 0.00 0.00 178.15 177.85 3goi h LYS 190 N 0.01 0.22 -0.83 2.37 6.56 -1.41 -3.22 116.57 120.26 3goi h LYS 190 Ca 0.18 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 3goi h LYS 190 Cb 0.27 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3goi h LYS 190 CO -0.37 0.61 0.00 0.54 -2.06 0.00 0.00 179.45 178.17 3goi n ARG 191 N -4.02 0.81 -0.45 3.15 1.74 -0.74 -2.91 116.66 114.25 3goi n ARG 191 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3goi n ARG 191 Cb 0.48 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3goi n ARG 191 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3goi n ARG 192 N 0.12 0.00 0.00 5.56 1.74 -1.12 -4.93 116.66 118.03 3goi n ARG 192 Ca 0.00 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3goi n ARG 192 Cb 0.21 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 3goi n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3goi n GLY 193 N 0.00 0.00 0.44 -0.13 0.00 -1.15 -4.42 105.19 99.93 3goi n GLY 193 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.29 3goi n GLY 193 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3goi h ASP 194 N 0.00 0.32 -5.12 1.61 1.82 -1.91 -3.44 116.42 109.70 3goi h ASP 194 Ca 0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 3goi h ASP 194 Cb 0.00 0.02 -0.13 0.00 0.68 0.00 0.00 39.33 39.90 3goi h ASP 194 CO 0.00 0.05 -0.14 0.72 -1.61 0.00 0.00 179.24 178.26 3goi s PHE 195 N -5.34 -0.05 -0.16 0.28 -0.12 -1.26 -4.95 117.98 106.38 3goi s PHE 195 Ca -0.08 -0.30 -0.03 0.00 -0.05 0.00 0.00 56.93 56.48 3goi s PHE 195 Cb 0.25 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 3goi s PHE 195 CO 0.80 -0.72 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.97 3goi s GLU 196 N -3.85 3.53 -0.05 1.99 8.01 -1.26 -4.73 118.70 122.33 3goi s GLU 196 Ca 0.06 -0.59 -0.02 0.00 0.01 0.00 0.00 54.97 54.43 3goi s GLU 196 Cb 0.02 -2.84 0.04 0.00 -4.31 0.00 0.00 34.13 27.04 3goi s GLU 196 CO -0.09 0.16 0.10 -1.64 0.01 0.00 0.00 175.26 173.80 3goi s MET 197 N 0.54 -0.03 -0.89 1.61 -1.94 -1.26 -3.60 119.30 113.73 3goi s MET 197 Ca -0.05 0.42 -0.22 0.00 -1.71 0.00 0.00 55.69 54.13 3goi s MET 197 Cb -0.15 -0.39 0.07 0.00 2.01 0.00 0.00 34.83 36.38 3goi s MET 197 CO 0.03 -0.30 1.25 -0.51 -0.01 0.00 0.00 175.02 175.48 3goi s ASP 198 N 2.06 6.42 -0.77 3.03 -0.00 -0.88 -4.94 116.67 121.59 3goi s ASP 198 Ca 0.02 -1.38 -0.26 0.00 -0.00 0.00 0.00 52.55 50.94 3goi s ASP 198 Cb -0.12 -2.49 -0.02 0.00 -0.00 0.00 0.00 42.92 40.29 3goi s ASP 198 CO -0.04 -1.43 1.78 -0.69 -0.00 0.00 0.00 175.17 174.80 3goi s VAL 199 N 4.30 3.48 -0.93 -1.27 1.01 -1.26 -0.69 120.40 125.04 3goi s VAL 199 Ca 0.36 -0.06 0.24 0.00 0.00 0.00 0.00 61.98 62.52 3goi s VAL 199 Cb -0.06 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3goi s VAL 199 CO -0.02 -1.13 1.31 0.52 0.00 0.00 0.00 175.10 175.77 3goi n VAL 200 N 7.31 0.05 -3.59 2.92 0.31 -0.99 -4.94 118.33 119.40 3goi n VAL 200 Ca 0.26 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3goi n VAL 200 Cb 0.50 0.30 -0.06 0.00 -0.91 0.00 0.00 33.84 33.67 3goi n VAL 200 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3goi s ALA 201 N -3.03 -2.54 -0.06 3.52 0.00 -1.25 -4.65 121.76 113.75 3goi s ALA 201 Ca 0.09 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.19 3goi s ALA 201 Cb 0.17 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 3goi s ALA 201 CO 0.73 -0.45 -0.23 1.41 0.00 0.00 0.00 175.76 177.22 3goi s MET 202 N 1.41 2.47 0.04 0.00 0.00 -0.08 -0.85 119.30 122.29 3goi s MET 202 Ca -0.07 -0.84 0.03 0.00 0.00 0.00 0.00 55.69 54.80 3goi s MET 202 Cb -0.03 -2.06 -0.02 0.00 0.00 0.00 0.00 34.83 32.71 3goi s MET 202 CO -0.13 0.33 -0.10 0.14 0.00 0.00 0.00 175.02 175.25 3goi s VAL 203 N -0.05 0.75 0.72 10.11 -7.23 0.49 -4.78 120.40 120.41 3goi s VAL 203 Ca -0.06 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 3goi s VAL 203 Cb -0.14 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.08 3goi s VAL 203 CO 0.04 -0.24 1.22 0.21 -0.31 0.00 0.00 175.10 176.02 3goi s ASN 204 N -1.42 4.20 0.44 4.85 3.84 -1.25 0.30 114.94 125.91 3goi s ASN 204 Ca -0.05 2.40 0.12 0.00 0.21 0.00 0.00 52.86 55.54 3goi s ASN 204 Cb -0.09 -2.59 1.01 0.00 -0.55 0.00 0.00 41.25 39.03 3goi s ASN 204 CO 0.01 -2.26 2.02 -2.24 -2.79 0.00 0.00 177.10 171.84 3goi h ASP 205 N -0.22 0.36 -0.32 -4.21 -0.00 -1.92 -1.35 116.42 108.76 3goi h ASP 205 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.51 3goi h ASP 205 Cb 1.30 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 40.54 3goi h ASP 205 CO 0.50 0.23 0.05 0.71 -0.00 0.00 0.00 179.24 180.73 3goi h THR 206 N 0.41 1.23 -0.32 1.15 1.35 -1.93 0.31 112.91 115.12 3goi h THR 206 Ca 0.22 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 65.18 3goi h THR 206 Cb 0.33 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3goi h THR 206 CO -0.05 0.27 -0.11 0.58 -0.25 0.00 0.00 175.52 175.96 3goi h VAL 207 N 0.36 1.28 -0.14 6.82 2.07 -1.74 -0.97 116.25 123.93 3goi h VAL 207 Ca 0.10 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3goi h VAL 207 Cb 0.35 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3goi h VAL 207 CO 0.01 0.38 -0.08 0.00 0.02 0.00 0.00 177.57 177.89 3goi h ALA 208 N 0.78 0.03 -0.50 1.67 0.00 -1.06 0.93 119.26 121.11 3goi h ALA 208 Ca 0.08 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3goi h ALA 208 Cb 0.61 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3goi h ALA 208 CO 0.04 -0.53 0.20 1.15 0.00 0.00 0.00 179.25 180.10 3goi h THR 209 N -0.08 0.86 -0.29 0.00 2.02 -0.75 -1.33 112.91 113.34 3goi h THR 209 Ca 0.08 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3goi h THR 209 Cb 0.20 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3goi h THR 209 CO -0.19 0.07 0.04 -0.03 0.37 0.00 0.00 175.52 175.78 3goi h MET 210 N 0.39 0.14 -0.31 6.66 -1.53 -0.01 -2.99 114.93 117.27 3goi h MET 210 Ca 0.24 -0.01 -0.15 0.00 -3.44 0.00 0.00 59.70 56.34 3goi h MET 210 Cb 0.23 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 3goi h MET 210 CO -0.23 0.09 -0.42 0.82 0.14 0.00 0.00 176.91 177.31 3goi h ILE 211 N 0.14 1.29 0.00 1.77 1.08 0.21 -1.24 117.51 120.76 3goi h ILE 211 Ca 0.14 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 3goi h ILE 211 Cb 0.16 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 3goi h ILE 211 CO -0.19 0.52 0.00 0.77 -0.69 0.00 0.00 178.15 178.56 3goi h SER 212 N 0.62 0.00 0.20 1.72 4.64 -1.22 -0.79 113.55 118.72 3goi h SER 212 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3goi h SER 212 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3goi h SER 212 CO 0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.95 3goi h TYR 214 N 1.11 1.01 0.09 0.00 3.20 -1.19 -2.31 116.97 118.88 3goi h TYR 214 Ca 0.00 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.70 3goi h TYR 214 Cb 0.39 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3goi h TYR 214 CO 0.00 0.96 -0.41 -0.92 -1.64 0.00 0.00 178.16 176.15 3goi h TYR 215 N 0.78 -1.15 0.00 -3.82 3.20 -1.77 -2.77 116.97 111.45 3goi h TYR 215 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3goi h TYR 215 Cb 0.59 0.49 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3goi h TYR 215 CO 0.04 -0.50 -0.07 -0.85 -1.64 0.00 0.00 178.16 175.14 3goi n GLU 216 N -5.46 0.02 -3.21 1.82 -0.00 -1.22 -4.60 120.64 108.00 3goi n GLU 216 Ca -0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 57.16 57.11 3goi n GLU 216 Cb 0.37 -1.53 -0.02 0.00 -0.00 0.00 0.00 31.44 30.27 3goi n GLU 216 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3goi s ASP 217 N -3.13 -1.14 0.38 -1.84 2.15 -0.87 -5.02 116.67 107.19 3goi s ASP 217 Ca 0.13 -0.48 0.25 0.00 0.43 0.00 0.00 52.55 52.89 3goi s ASP 217 Cb 0.18 1.78 1.37 0.00 -0.30 0.00 0.00 42.92 45.95 3goi s ASP 217 CO 0.56 -0.24 1.77 0.45 -0.17 0.00 0.00 175.17 177.54 3goi h HIS 218 N 7.47 0.00 -0.01 -5.34 3.86 -1.80 -0.00 115.15 119.33 3goi h HIS 218 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3goi h HIS 218 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3goi h HIS 218 CO 0.22 0.00 0.00 1.04 0.86 0.00 0.00 177.93 180.05 3goi n GLN 219 N -2.38 1.21 -1.85 2.45 6.02 -1.26 -4.72 117.38 116.84 3goi n GLN 219 Ca -0.02 -0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.28 3goi n GLN 219 Cb 0.04 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 3goi n GLN 219 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3goi n GLU 221 N 8.94 1.37 -3.82 0.00 1.02 -1.06 -4.88 120.64 122.21 3goi n GLU 221 Ca 0.27 -2.10 -0.12 0.00 -0.02 0.00 0.00 57.16 55.18 3goi n GLU 221 Cb 0.51 -1.24 -0.13 0.00 -0.02 0.00 0.00 31.44 30.56 3goi n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3goi s VAL 222 N -2.06 -0.01 0.09 2.62 1.01 -1.24 -1.44 120.40 119.38 3goi s VAL 222 Ca 0.21 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.30 3goi s VAL 222 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 3goi s VAL 222 CO 0.02 0.01 -0.23 -0.83 0.00 0.00 0.00 175.10 174.07 3goi s GLY 223 N 0.20 1.29 -0.06 4.51 0.00 -0.69 -0.96 107.32 111.61 3goi s GLY 223 Ca -0.01 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 3goi s GLY 223 CO -0.01 -1.22 0.17 -0.29 0.00 0.00 0.00 173.10 171.75 3goi s MET 224 N -1.70 0.18 -0.10 2.90 1.75 0.11 -0.58 119.30 121.86 3goi s MET 224 Ca 0.09 0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.82 3goi s MET 224 Cb -0.10 0.06 0.00 0.00 2.84 0.00 0.00 34.83 37.63 3goi s MET 224 CO 0.04 -0.04 -0.23 0.42 -0.65 0.00 0.00 175.02 174.56 3goi s ILE 225 N 0.24 1.98 -0.44 10.11 -1.09 -0.72 -1.82 121.20 129.46 3goi s ILE 225 Ca -0.01 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.47 3goi s ILE 225 Cb -0.02 -1.72 0.12 0.00 -1.58 0.00 0.00 42.46 39.26 3goi s ILE 225 CO -0.01 0.54 0.20 -0.69 -1.23 0.00 0.00 174.94 173.76 3goi s VAL 226 N 0.43 1.90 0.00 2.92 1.01 -0.03 -2.30 120.40 124.32 3goi s VAL 226 Ca -0.17 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.13 3goi s VAL 226 Cb -0.18 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3goi s VAL 226 CO 0.07 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 174.99 3goi n GLY 227 N 3.63 5.31 0.23 4.51 0.00 -1.26 -2.33 105.19 115.27 3goi n GLY 227 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3goi n GLY 227 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3goi h THR 228 N 0.00 0.54 -4.56 2.61 2.02 -1.92 0.71 112.91 112.31 3goi h THR 228 Ca 0.00 -0.05 -0.40 0.00 0.77 0.00 0.00 66.41 66.73 3goi h THR 228 Cb 0.00 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 3goi h THR 228 CO 0.00 0.03 -0.30 0.61 0.37 0.00 0.00 175.52 176.23 3goi n GLY 229 N -1.35 3.75 3.11 2.16 0.00 -1.26 -1.06 105.19 110.55 3goi n GLY 229 Ca 0.08 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 3goi n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3goi s ASN 231 N 0.91 -0.13 0.25 0.00 3.04 -0.97 -3.67 114.94 114.38 3goi s ASN 231 Ca -0.06 -0.35 -0.13 0.00 0.04 0.00 0.00 52.86 52.36 3goi s ASN 231 Cb -0.07 0.40 -0.00 0.00 -1.54 0.00 0.00 41.25 40.03 3goi s ASN 231 CO -0.06 -0.74 0.49 0.00 -3.04 0.00 0.00 177.10 173.75 3goi s ALA 232 N -2.96 -0.22 0.12 1.71 0.00 -1.26 -1.76 121.76 117.39 3goi s ALA 232 Ca 0.14 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 3goi s ALA 232 Cb 0.00 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.19 3goi s ALA 232 CO 0.01 -0.86 0.25 0.00 0.00 0.00 0.00 175.76 175.16 3goi s TYR 234 N -3.88 -0.03 -0.28 0.00 -0.85 -0.49 -1.70 117.35 110.12 3goi s TYR 234 Ca 0.08 -0.42 -0.24 0.00 -0.52 0.00 0.00 57.07 55.97 3goi s TYR 234 Cb 0.04 0.59 -0.00 0.00 0.38 0.00 0.00 41.96 42.97 3goi s TYR 234 CO -0.08 -1.20 0.79 -1.64 -1.52 0.00 0.00 175.55 171.89 3goi s MET 235 N -3.83 4.06 0.27 -3.49 -1.94 -0.52 -0.53 119.30 113.32 3goi s MET 235 Ca 0.14 0.72 0.08 0.00 -1.71 0.00 0.00 55.69 54.92 3goi s MET 235 Cb -0.05 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3goi s MET 235 CO 0.08 -0.59 0.14 -2.00 -0.01 0.00 0.00 175.02 172.64 3goi s GLU 236 N 2.88 2.71 -0.16 2.03 2.56 -0.66 -4.91 118.70 123.15 3goi s GLU 236 Ca 0.33 -1.20 -0.26 0.00 0.00 0.00 0.00 54.97 53.84 3goi s GLU 236 Cb -0.15 -2.42 -0.01 0.00 2.00 0.00 0.00 34.13 33.55 3goi s GLU 236 CO 0.10 0.36 0.87 -1.21 -0.56 0.00 0.00 175.26 174.82 3goi s GLU 237 N -3.80 4.32 0.47 4.30 0.41 -1.26 -0.94 118.70 122.20 3goi s GLU 237 Ca 0.33 1.10 0.29 0.00 -0.41 0.00 0.00 54.97 56.29 3goi s GLU 237 Cb -0.07 -3.57 1.36 0.00 -1.78 0.00 0.00 34.13 30.08 3goi s GLU 237 CO 0.23 -0.33 1.76 0.52 -0.49 0.00 0.00 175.26 176.95 3goi h MET 238 N 7.28 0.16 -0.30 1.61 2.86 -0.81 0.92 114.93 126.65 3goi h MET 238 Ca -0.29 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.42 3goi h MET 238 Cb 1.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3goi h MET 238 CO 0.85 0.11 0.21 -0.56 1.06 0.00 0.00 176.91 178.58 3goi h GLN 239 N 0.17 0.00 0.00 1.72 -0.00 -1.69 -2.83 115.11 112.48 3goi h GLN 239 Ca 0.62 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 59.04 3goi h GLN 239 Cb 2.05 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 29.50 3goi h GLN 239 CO -0.17 0.00 -1.56 0.09 -0.00 0.00 0.00 178.83 177.19 3goi n ASN 240 N -4.45 0.87 -4.57 0.06 3.02 0.32 -4.48 115.26 106.04 3goi n ASN 240 Ca 0.04 0.40 -0.25 0.00 -0.03 0.00 0.00 54.58 54.74 3goi n ASN 240 Cb 0.38 0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 3goi n ASN 240 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3goi s VAL 241 N -2.76 3.41 0.30 2.41 1.01 -1.07 -4.70 120.40 119.00 3goi s VAL 241 Ca -0.04 -0.49 0.34 0.00 0.00 0.00 0.00 61.98 61.79 3goi s VAL 241 Cb 0.08 -4.09 0.36 0.00 0.00 0.00 0.00 36.38 32.74 3goi s VAL 241 CO 0.82 -0.82 2.07 -0.33 0.00 0.00 0.00 175.10 176.83 3goi h GLU 242 N 10.95 0.00 -0.01 2.72 5.08 -1.77 -3.11 114.58 128.44 3goi h GLU 242 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3goi h GLU 242 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3goi h GLU 242 CO 1.18 0.05 -0.06 1.28 -1.00 0.00 0.00 179.01 180.47 3goi n LEU 243 N -3.25 1.12 -3.96 1.33 7.99 -1.26 -4.53 117.00 114.44 3goi n LEU 243 Ca -0.01 -0.34 -0.29 0.00 -0.01 0.00 0.00 56.01 55.36 3goi n LEU 243 Cb 0.25 -0.04 -0.17 0.00 -0.11 0.00 0.00 43.42 43.36 3goi n LEU 243 CO 0.27 0.19 -0.46 -0.69 -1.51 0.00 0.00 177.39 175.19 3goi s VAL 244 N -2.14 1.32 0.21 4.08 1.01 -1.18 -5.09 120.40 118.61 3goi s VAL 244 Ca 0.36 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.48 3goi s VAL 244 Cb 0.21 -1.31 -0.14 0.00 0.00 0.00 0.00 36.38 35.14 3goi s VAL 244 CO 0.39 0.36 1.44 1.21 0.00 0.00 0.00 175.10 178.50 3goi n GLU 245 N 4.84 2.00 0.00 2.72 2.13 -1.26 -4.87 120.64 126.20 3goi n GLU 245 Ca -0.14 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3goi n GLU 245 Cb 0.49 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.81 3goi n GLU 245 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3goi n GLY 246 N 2.49 4.10 0.00 8.31 0.00 -1.26 -5.01 105.19 113.82 3goi n GLY 246 Ca 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3goi n GLY 246 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3goi n ASP 247 N 0.00 0.32 -4.87 1.61 10.43 -1.26 -4.03 116.55 118.75 3goi n ASP 247 Ca 0.00 -0.64 -0.37 0.00 2.57 0.00 0.00 54.79 56.35 3goi n ASP 247 Cb 0.00 0.40 -0.06 0.00 1.84 0.00 0.00 41.12 43.30 3goi n ASP 247 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3goi s GLU 248 N -0.40 3.60 2.84 -1.24 8.01 -1.26 -3.53 118.70 126.73 3goi s GLU 248 Ca 0.00 0.04 0.00 0.00 0.01 0.00 0.00 54.97 55.02 3goi s GLU 248 Cb 0.00 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 3goi s GLU 248 CO 0.00 0.73 0.00 0.41 0.01 0.00 0.00 175.26 176.41 3goi n GLY 249 N 1.77 -0.39 3.01 -1.39 0.00 -1.26 -4.65 105.19 102.28 3goi n GLY 249 Ca -0.17 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 3goi n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3goi s ARG 250 N 0.00 0.58 -0.03 1.61 3.00 -1.26 -0.20 118.95 122.66 3goi s ARG 250 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 55.73 55.43 3goi s ARG 250 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 34.95 34.41 3goi s ARG 250 CO 0.00 0.14 -0.14 1.41 0.00 0.00 0.00 175.30 176.72 3goi s MET 251 N -0.38 1.35 0.24 3.54 1.75 -0.12 -1.51 119.30 124.17 3goi s MET 251 Ca 0.01 -0.48 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 3goi s MET 251 Cb -0.04 -1.23 -0.09 0.00 2.84 0.00 0.00 34.83 36.31 3goi s MET 251 CO -0.00 0.22 1.35 0.00 -0.65 0.00 0.00 175.02 175.93 3goi s VAL 253 N -0.16 3.36 -0.45 0.00 1.01 0.30 -2.64 120.40 121.83 3goi s VAL 253 Ca 0.56 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3goi s VAL 253 Cb -0.39 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.68 3goi s VAL 253 CO 0.42 0.56 0.43 0.21 0.00 0.00 0.00 175.10 176.72 3goi s ASN 254 N -0.87 6.17 0.31 3.32 2.47 -0.17 -1.40 114.94 124.78 3goi s ASN 254 Ca 0.13 -1.00 0.14 0.00 0.42 0.00 0.00 52.86 52.55 3goi s ASN 254 Cb -0.11 -2.21 0.46 0.00 -1.45 0.00 0.00 41.25 37.94 3goi s ASN 254 CO 0.02 -0.64 1.64 0.71 -3.72 0.00 0.00 177.10 175.11 3goi h THR 255 N 5.74 1.18 -6.50 -5.21 1.35 -1.45 0.58 112.91 108.61 3goi h THR 255 Ca -0.27 -1.92 -0.50 0.00 -0.55 0.00 0.00 66.41 63.17 3goi h THR 255 Cb 1.11 2.09 -0.07 0.00 -1.73 0.00 0.00 68.15 69.55 3goi h THR 255 CO 0.84 0.51 -0.87 -0.62 -0.25 0.00 0.00 175.52 175.14 3goi n GLU 256 N -3.64 -3.51 0.12 4.72 -0.58 -1.25 -1.87 120.64 114.63 3goi n GLU 256 Ca -0.01 0.42 0.10 0.00 -0.42 0.00 0.00 57.16 57.26 3goi n GLU 256 Cb 0.59 -4.72 0.46 0.00 -0.57 0.00 0.00 31.44 27.20 3goi n GLU 256 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3goi n TRP 257 N -4.41 0.62 -0.04 -0.32 2.14 -1.26 -2.13 117.44 112.04 3goi n TRP 257 Ca -0.22 0.28 0.24 0.00 2.07 0.00 0.00 57.50 59.87 3goi n TRP 257 Cb 0.64 -0.95 0.70 0.00 -0.81 0.00 0.00 31.31 30.90 3goi n TRP 257 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3goi h GLY 258 N 1.23 0.00 -1.52 -1.67 0.00 -1.90 0.22 103.07 99.42 3goi h GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3goi h GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3goi n ALA 259 N -2.44 2.48 -1.77 3.60 0.00 -0.91 -1.98 120.51 119.50 3goi n ALA 259 Ca 0.13 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 3goi n ALA 259 Cb 0.87 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.35 3goi n ALA 259 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3goi s PHE 260 N -1.69 2.62 0.00 0.00 5.36 0.77 -1.63 117.98 123.41 3goi s PHE 260 Ca 0.35 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3goi s PHE 260 Cb 0.20 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3goi s PHE 260 CO 0.29 -2.57 0.00 0.41 -1.46 0.00 0.00 175.22 171.89 3goi n GLY 261 N 0.61 3.35 0.00 13.12 0.00 -1.26 -1.64 105.19 119.37 3goi n GLY 261 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3goi n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3goi n ASP 262 N 0.00 0.00 -0.76 1.61 8.00 -0.65 -1.22 116.55 123.53 3goi n ASP 262 Ca 0.00 -0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.51 3goi n ASP 262 Cb 0.00 -0.24 0.21 0.00 -0.02 0.00 0.00 41.12 41.07 3goi n ASP 262 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3goi n SER 263 N -1.24 2.78 -0.49 -2.24 7.64 -1.26 -4.94 113.62 113.87 3goi n SER 263 Ca 0.08 -3.40 -0.06 0.00 1.01 0.00 0.00 58.87 56.50 3goi n SER 263 Cb 0.11 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.75 3goi n SER 263 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3goi n GLY 264 N -1.01 0.64 0.14 0.23 0.00 -0.36 -4.94 105.19 99.90 3goi n GLY 264 Ca 0.24 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3goi n GLY 264 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3goi h GLU 265 N 0.00 0.00 -0.16 1.61 3.07 -1.93 -3.13 114.58 114.04 3goi h GLU 265 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3goi h GLU 265 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3goi h GLU 265 CO 0.17 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 179.06 3goi n LEU 266 N -2.31 2.84 0.12 1.33 4.77 -1.26 -4.77 117.00 117.72 3goi n LEU 266 Ca 0.02 -2.52 0.04 0.00 -0.03 0.00 0.00 56.01 53.52 3goi n LEU 266 Cb 0.25 -0.31 0.46 0.00 -2.33 0.00 0.00 43.42 41.49 3goi n LEU 266 CO 0.21 0.66 1.00 0.44 -1.33 0.00 0.00 177.39 178.37 3goi h ASP 267 N 1.03 0.24 1.31 -1.43 3.45 -1.89 -0.04 116.42 119.08 3goi h ASP 267 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3goi h ASP 267 Cb 0.93 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3goi h ASP 267 CO 0.06 0.29 0.00 -1.84 -1.57 0.00 0.00 179.24 176.18 3goi n GLU 268 N -4.39 0.24 0.00 3.56 0.28 -1.26 -3.04 120.64 116.04 3goi n GLU 268 Ca -0.00 0.26 0.09 0.00 -0.16 0.00 0.00 57.16 57.35 3goi n GLU 268 Cb 0.17 -1.82 -0.09 0.00 1.43 0.00 0.00 31.44 31.14 3goi n GLU 268 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3goi n PHE 269 N -2.25 0.00 -3.06 -1.84 3.72 -0.05 -4.99 117.46 108.99 3goi n PHE 269 Ca 0.05 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.13 3goi n PHE 269 Cb 0.39 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 3goi n PHE 269 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3goi s LEU 270 N -2.81 3.98 0.24 4.37 1.43 -1.06 -5.04 118.68 119.80 3goi s LEU 270 Ca 0.09 1.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 3goi s LEU 270 Cb 0.15 -4.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 3goi s LEU 270 CO 0.75 -0.27 -0.10 -0.76 0.23 0.00 0.00 176.35 176.20 3goi s LEU 271 N -3.32 2.50 0.21 1.79 1.02 -1.26 -4.98 118.68 114.65 3goi s LEU 271 Ca 0.52 -1.11 -0.10 0.00 0.02 0.00 0.00 54.13 53.46 3goi s LEU 271 Cb -0.10 -0.65 0.26 0.00 0.02 0.00 0.00 46.19 45.72 3goi s LEU 271 CO 0.23 -0.27 1.76 1.05 0.02 0.00 0.00 176.35 179.15 3goi h GLU 272 N 2.41 0.46 -0.83 1.70 4.11 -1.98 0.69 114.58 121.13 3goi h GLU 272 Ca -0.39 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.04 3goi h GLU 272 Cb 1.23 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3goi h GLU 272 CO 0.65 0.30 0.55 1.88 0.07 0.00 0.00 179.01 182.46 3goi h TYR 273 N 0.47 1.01 -0.10 2.06 -1.99 -1.96 0.20 116.97 116.67 3goi h TYR 273 Ca 0.30 0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.88 3goi h TYR 273 Cb 0.33 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 3goi h TYR 273 CO -0.14 0.60 -0.68 -0.44 -0.00 0.00 0.00 178.16 177.49 3goi h ASP 274 N 1.06 0.50 -0.64 3.88 3.32 -0.24 -0.95 116.42 123.35 3goi h ASP 274 Ca 0.32 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3goi h ASP 274 Cb -0.01 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3goi h ASP 274 CO -0.09 1.03 0.21 0.03 -1.72 0.00 0.00 179.24 178.71 3goi h ARG 275 N 0.30 0.98 -0.22 3.56 3.08 0.78 -2.16 114.38 120.71 3goi h ARG 275 Ca -0.02 -0.20 -0.20 0.00 0.07 0.00 0.00 59.98 59.62 3goi h ARG 275 Cb 1.25 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.15 3goi h ARG 275 CO 0.12 0.86 -0.67 -0.07 -1.07 0.00 0.00 179.97 179.14 3goi h LEU 276 N 0.91 0.95 -0.98 3.04 3.38 -0.49 -2.51 115.31 119.61 3goi h LEU 276 Ca 0.21 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3goi h LEU 276 Cb 0.27 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3goi h LEU 276 CO -0.01 1.36 0.64 0.58 0.09 0.00 0.00 178.44 181.11 3goi h VAL 277 N 0.60 1.19 0.15 1.22 2.07 -1.03 -2.95 116.25 117.50 3goi h VAL 277 Ca -0.02 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3goi h VAL 277 Cb 1.28 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3goi h VAL 277 CO 0.14 0.23 -0.21 -0.78 0.02 0.00 0.00 177.57 176.97 3goi h ASP 278 N 1.27 -0.59 -1.00 0.57 3.58 -1.41 -3.07 116.42 115.76 3goi h ASP 278 Ca 0.38 0.05 0.22 0.00 0.42 0.00 0.00 57.03 58.10 3goi h ASP 278 Cb -0.05 0.20 -0.10 0.00 1.72 0.00 0.00 39.33 41.11 3goi h ASP 278 CO -0.11 -0.25 0.62 -0.33 -2.88 0.00 0.00 179.24 176.29 3goi h GLU 279 N -0.37 0.59 -0.31 0.28 5.08 -1.46 -1.11 114.58 117.28 3goi h GLU 279 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3goi h GLU 279 Cb 0.34 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3goi h GLU 279 CO -0.06 0.39 0.00 0.43 -1.00 0.00 0.00 179.01 178.77 3goi n SER 280 N -4.73 2.19 -4.96 1.42 7.64 -1.12 -4.84 113.62 109.23 3goi n SER 280 Ca 0.24 -1.87 -0.22 0.00 1.01 0.00 0.00 58.87 58.03 3goi n SER 280 Cb 0.68 -0.20 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 3goi n SER 280 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3goi s SER 281 N -1.32 5.74 0.66 6.43 1.04 -0.42 -4.96 113.70 120.86 3goi s SER 281 Ca 0.32 0.15 0.36 0.00 0.48 0.00 0.00 55.95 57.27 3goi s SER 281 Cb 0.17 -1.35 1.99 0.00 0.10 0.00 0.00 66.02 66.94 3goi s SER 281 CO 0.24 -0.76 2.14 0.00 0.98 0.00 0.00 173.24 175.85 3goi h ALA 282 N 0.40 1.25 -1.62 5.32 0.00 -1.91 -3.32 119.26 119.38 3goi h ALA 282 Ca -0.45 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.01 3goi h ALA 282 Cb 1.26 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.70 3goi h ALA 282 CO 0.55 -0.18 -1.04 0.27 0.00 0.00 0.00 179.25 178.85 3goi n ASN 283 N -3.09 0.11 -4.67 0.00 6.94 -1.26 -5.03 115.26 108.26 3goi n ASN 283 Ca -0.02 -3.08 -0.42 0.00 -0.02 0.00 0.00 54.58 51.04 3goi n ASN 283 Cb 0.24 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 3goi n ASN 283 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 3goi s PRO 284 N -1.73 4.14 0.00 -0.53 0.02 -1.25 -1.70 135.00 133.96 3goi s PRO 284 Ca 0.36 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3goi s PRO 284 Cb 0.31 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.93 3goi s PRO 284 CO -0.09 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.10 3goi n GLY 285 N 4.38 1.46 3.80 0.52 0.00 -1.26 -5.05 105.19 109.04 3goi n GLY 285 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3goi n GLY 285 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3goi s GLN 286 N -0.98 2.91 -1.17 1.61 -0.21 -0.69 -4.68 119.66 116.45 3goi s GLN 286 Ca 0.00 -0.85 -0.05 0.00 0.02 0.00 0.00 55.36 54.48 3goi s GLN 286 Cb 0.00 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.36 3goi s GLN 286 CO 0.00 0.49 1.01 1.04 -2.12 0.00 0.00 175.29 175.71 3goi n GLN 287 N -0.27 -6.74 -0.10 2.91 1.13 -1.26 -4.92 117.38 108.13 3goi n GLN 287 Ca -0.08 0.75 -0.12 0.00 -1.94 0.00 0.00 57.00 55.61 3goi n GLN 287 Cb 0.54 -5.54 -0.04 0.00 0.11 0.00 0.00 30.24 25.32 3goi n GLN 287 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3goi h LEU 288 N -2.18 0.57 -0.02 1.08 3.38 -1.67 -1.77 115.31 114.72 3goi h LEU 288 Ca -0.52 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.09 3goi h LEU 288 Cb 1.32 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3goi h LEU 288 CO 0.48 0.81 0.01 0.22 0.09 0.00 0.00 178.44 180.05 3goi h TYR 289 N 0.33 0.01 -0.28 1.13 3.20 -1.12 -1.16 116.97 119.09 3goi h TYR 289 Ca 0.07 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.03 3goi h TYR 289 Cb 0.56 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3goi h TYR 289 CO 0.05 0.01 0.20 1.49 -1.64 0.00 0.00 178.16 178.27 3goi h GLU 290 N 0.02 0.00 0.00 1.82 4.81 -1.30 -2.08 114.58 117.85 3goi h GLU 290 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3goi h GLU 290 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3goi h GLU 290 CO -0.00 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 179.15 3goi h LYS 291 N 0.00 0.00 0.00 1.92 1.57 -0.28 0.50 116.57 120.28 3goi h LYS 291 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3goi h LYS 291 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3goi h LYS 291 CO -0.00 0.00 -0.85 1.28 -0.57 0.00 0.00 179.45 179.31 3goi n LEU 292 N -2.91 0.67 0.00 2.94 4.77 -0.78 -4.64 117.00 117.05 3goi n LEU 292 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3goi n LEU 292 Cb 0.19 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3goi n LEU 292 CO 0.22 -0.03 -0.44 -0.38 -1.33 0.00 0.00 177.39 175.42 3goi n ILE 293 N -2.12 0.00 -1.70 -0.08 5.41 -0.78 -4.26 119.36 115.83 3goi n ILE 293 Ca 0.02 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.46 3goi n ILE 293 Cb 0.45 -0.60 0.04 0.00 -0.71 0.00 0.00 39.64 38.82 3goi n ILE 293 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3goi s GLY 294 N -4.08 1.78 0.00 7.39 0.00 0.17 -4.78 107.32 107.80 3goi s GLY 294 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 44.72 45.00 3goi s GLY 294 CO 0.00 0.47 1.37 0.61 0.00 0.00 0.00 173.10 175.55 3goi n GLY 295 N -1.75 -0.87 0.06 0.20 0.00 0.25 -1.82 105.19 101.25 3goi n GLY 295 Ca 0.08 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3goi n GLY 295 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3goi n LYS 296 N -1.45 0.14 0.00 1.61 3.00 -0.22 -4.02 118.16 117.23 3goi n LYS 296 Ca 0.04 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3goi n LYS 296 Cb 0.13 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.50 3goi n LYS 296 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3goi n TYR 297 N -1.91 0.00 0.14 5.64 4.02 -0.76 -4.68 117.16 119.61 3goi n TYR 297 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.82 3goi n TYR 297 Cb 0.39 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.63 3goi n TYR 297 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3goi h MET 298 N 0.00 -0.32 -0.40 -0.72 4.05 -1.56 -0.91 114.93 115.07 3goi h MET 298 Ca 0.00 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3goi h MET 298 Cb 0.00 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.82 3goi h MET 298 CO 0.00 -0.05 0.06 0.78 0.23 0.00 0.00 176.91 177.93 3goi h GLY 299 N -0.58 0.46 1.81 1.39 0.00 -1.82 -0.54 103.07 103.79 3goi h GLY 299 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3goi h GLY 299 CO 0.06 -0.06 0.01 -2.09 0.00 0.00 0.00 176.54 174.46 3goi h GLU 300 N 0.18 0.25 -0.19 4.80 4.57 -1.57 0.25 114.58 122.86 3goi h GLU 300 Ca 0.20 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 3goi h GLU 300 Cb 0.25 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3goi h GLU 300 CO -0.28 0.27 -0.32 -0.07 -1.18 0.00 0.00 179.01 177.43 3goi h LEU 301 N 0.25 0.39 -0.76 1.64 3.38 0.32 -2.27 115.31 118.26 3goi h LEU 301 Ca 0.06 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3goi h LEU 301 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3goi h LEU 301 CO 0.00 0.70 -0.44 0.58 0.09 0.00 0.00 178.44 179.37 3goi h VAL 302 N 0.34 1.32 -0.43 1.22 2.07 0.13 -0.79 116.25 120.11 3goi h VAL 302 Ca 0.04 -1.62 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 3goi h VAL 302 Cb 0.73 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3goi h VAL 302 CO 0.06 0.50 -0.14 -0.09 0.02 0.00 0.00 177.57 177.91 3goi h ARG 303 N 0.33 0.79 0.05 1.57 2.43 -0.56 0.93 114.38 119.92 3goi h ARG 303 Ca 0.02 -0.28 -0.24 0.00 -0.81 0.00 0.00 59.98 58.68 3goi h ARG 303 Cb 0.91 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3goi h ARG 303 CO 0.08 0.88 -1.05 -0.07 -1.51 0.00 0.00 179.97 178.30 3goi h LEU 304 N 0.70 0.39 -0.36 3.80 -0.00 -1.10 -0.60 115.31 118.14 3goi h LEU 304 Ca 0.11 -0.36 -0.04 0.00 -0.00 0.00 0.00 57.88 57.59 3goi h LEU 304 Cb 0.63 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3goi h LEU 304 CO 0.04 1.21 0.06 0.58 -0.00 0.00 0.00 178.44 180.33 3goi h VAL 305 N 0.12 1.24 -0.92 1.22 2.07 -0.30 -2.75 116.25 116.92 3goi h VAL 305 Ca -0.09 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3goi h VAL 305 Cb 1.73 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 3goi h VAL 305 CO 0.17 0.28 0.58 -0.07 0.02 0.00 0.00 177.57 178.55 3goi h LEU 306 N 0.44 0.90 -1.65 2.57 3.38 -0.71 -1.71 115.31 118.53 3goi h LEU 306 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3goi h LEU 306 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3goi h LEU 306 CO 0.01 0.56 -0.17 -0.07 0.09 0.00 0.00 178.44 178.86 3goi h LEU 307 N 1.02 0.00 0.06 1.67 4.07 -0.94 -0.74 115.31 120.45 3goi h LEU 307 Ca 0.41 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 58.08 3goi h LEU 307 Cb 0.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 3goi h LEU 307 CO -0.19 0.17 -1.56 -0.09 -1.08 0.00 0.00 178.44 175.69 3goi h ARG 308 N 0.00 0.12 -0.15 1.13 9.65 -1.10 -0.70 114.38 123.33 3goi h ARG 308 Ca -0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 3goi h ARG 308 Cb 0.48 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3goi h ARG 308 CO 0.02 0.88 -0.08 -0.07 2.80 0.00 0.00 179.97 183.52 3goi h LEU 309 N 0.03 0.33 -1.08 3.80 4.07 -0.90 -0.52 115.31 121.05 3goi h LEU 309 Ca -0.24 -0.42 -0.06 0.00 0.08 0.00 0.00 57.88 57.24 3goi h LEU 309 Cb 1.98 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 3goi h LEU 309 CO 0.12 0.68 0.04 -0.37 -1.08 0.00 0.00 178.44 177.83 3goi h VAL 310 N -0.02 1.22 0.00 1.22 -1.51 -1.17 0.36 116.25 116.35 3goi h VAL 310 Ca 0.03 -0.85 -0.08 0.00 -1.23 0.00 0.00 66.70 64.57 3goi h VAL 310 Cb 0.56 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 3goi h VAL 310 CO 0.02 0.30 -0.38 0.44 -1.23 0.00 0.00 177.57 176.73 3goi h ASP 311 N 0.66 0.00 0.10 4.19 3.32 -0.98 0.54 116.42 124.25 3goi h ASP 311 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3goi h ASP 311 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3goi h ASP 311 CO 0.01 0.38 0.00 -0.62 -1.72 0.00 0.00 179.24 177.29 3goi n GLU 312 N -3.60 0.86 -1.77 3.56 -0.58 -0.21 -4.91 120.64 113.99 3goi n GLU 312 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 3goi n GLU 312 Cb 0.49 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.85 3goi n GLU 312 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3goi n ASN 313 N -1.05 -2.88 -0.59 1.62 4.13 0.19 -4.89 115.26 111.78 3goi n ASN 313 Ca 0.21 0.05 0.08 0.00 1.68 0.00 0.00 54.58 56.61 3goi n ASN 313 Cb 0.13 -1.75 0.05 0.00 -1.54 0.00 0.00 39.78 36.67 3goi n ASN 313 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3goi n LEU 314 N -0.79 2.21 -3.66 3.41 4.77 0.11 -4.53 117.00 118.52 3goi n LEU 314 Ca -0.07 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 3goi n LEU 314 Cb 0.42 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3goi n LEU 314 CO 0.08 0.40 0.27 -0.22 -1.33 0.00 0.00 177.39 176.59 3goi s LEU 315 N -1.50 -0.66 -1.38 2.23 1.98 -1.25 -4.83 118.68 113.27 3goi s LEU 315 Ca 0.18 1.33 -0.08 0.00 -2.89 0.00 0.00 54.13 52.66 3goi s LEU 315 Cb 0.13 2.09 0.05 0.00 0.66 0.00 0.00 46.19 49.13 3goi s LEU 315 CO 0.24 -0.23 0.57 0.49 -1.89 0.00 0.00 176.35 175.54 3goi n PHE 316 N 4.10 -1.89 -0.39 5.38 3.72 -1.26 -2.55 117.46 124.57 3goi n PHE 316 Ca -0.20 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 3goi n PHE 316 Cb 0.58 -3.50 0.00 0.00 -0.94 0.00 0.00 39.48 35.61 3goi n PHE 316 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 3goi n HIS 317 N -4.17 0.00 -0.30 1.38 1.44 -1.26 -1.81 115.22 110.50 3goi n HIS 317 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3goi n HIS 317 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 3goi n HIS 317 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3goi n GLY 318 N -0.03 1.97 3.09 -1.39 0.00 -1.06 -5.00 105.19 102.78 3goi n GLY 318 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3goi n GLY 318 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3goi s GLU 319 N -0.15 1.63 -0.07 1.61 -1.05 -0.75 -4.78 118.70 115.13 3goi s GLU 319 Ca 0.00 -0.52 0.03 0.00 -0.15 0.00 0.00 54.97 54.34 3goi s GLU 319 Cb 0.00 -1.41 -0.02 0.00 -0.44 0.00 0.00 34.13 32.26 3goi s GLU 319 CO 0.00 0.18 -0.17 0.00 0.95 0.00 0.00 175.26 176.21 3goi s ALA 320 N 0.19 2.51 1.16 -0.84 0.00 -1.26 -4.80 121.76 118.71 3goi s ALA 320 Ca -0.06 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 3goi s ALA 320 Cb -0.12 -0.94 0.23 0.00 0.00 0.00 0.00 23.12 22.29 3goi s ALA 320 CO 0.02 0.44 0.68 -1.13 0.00 0.00 0.00 175.76 175.77 3goi n SER 321 N 2.79 -1.95 -0.21 0.00 3.41 -1.26 -4.82 113.62 111.58 3goi n SER 321 Ca -0.17 -0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.20 3goi n SER 321 Cb 0.52 -1.16 0.02 0.00 -0.26 0.00 0.00 64.21 63.33 3goi n SER 321 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3goi h GLU 322 N -2.48 1.05 -0.12 4.33 4.57 -1.91 -2.90 114.58 117.12 3goi h GLU 322 Ca -0.59 -0.34 0.03 0.00 -1.18 0.00 0.00 59.36 57.28 3goi h GLU 322 Cb 1.34 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 3goi h GLU 322 CO 0.45 1.04 -0.09 1.96 -1.18 0.00 0.00 179.01 181.19 3goi h GLN 323 N 0.95 -0.10 -0.71 1.92 4.20 -1.91 -2.06 115.11 117.40 3goi h GLN 323 Ca 0.17 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.07 3goi h GLN 323 Cb 0.57 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3goi h GLN 323 CO 0.03 -0.07 0.50 1.25 -0.67 0.00 0.00 178.83 179.88 3goi h LEU 324 N -0.10 0.10 -0.61 1.46 5.85 -1.69 0.40 115.31 120.72 3goi h LEU 324 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3goi h LEU 324 Cb 0.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3goi h LEU 324 CO -0.18 0.05 -0.06 0.54 -0.34 0.00 0.00 178.44 178.44 3goi n ARG 325 N -4.37 1.25 -3.36 1.25 1.74 -0.80 -4.83 116.66 107.54 3goi n ARG 325 Ca 0.14 -0.61 -0.38 0.00 -0.77 0.00 0.00 57.85 56.23 3goi n ARG 325 Cb 0.71 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3goi n ARG 325 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3goi s THR 326 N -2.17 5.14 0.14 0.55 -4.23 0.14 -5.01 115.64 110.20 3goi s THR 326 Ca 0.36 0.93 -0.34 0.00 -1.18 0.00 0.00 61.69 61.45 3goi s THR 326 Cb 0.21 -3.79 -0.16 0.00 1.34 0.00 0.00 72.50 70.09 3goi s THR 326 CO 0.40 0.39 1.20 0.54 -0.54 0.00 0.00 174.62 176.60 3goi n ARG 327 N 3.24 1.07 0.00 3.99 1.74 -1.26 -2.29 116.66 123.15 3goi n ARG 327 Ca -0.09 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3goi n ARG 327 Cb 0.52 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3goi n ARG 327 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3goi n GLY 328 N 2.15 2.94 0.20 -0.13 0.00 -1.26 -4.95 105.19 104.13 3goi n GLY 328 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3goi n GLY 328 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3goi h ALA 329 N 0.00 1.15 -1.82 4.61 0.00 -1.74 -3.36 119.26 118.10 3goi h ALA 329 Ca 0.00 -0.31 -0.70 0.00 0.00 0.00 0.00 54.91 53.91 3goi h ALA 329 Cb 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.56 3goi h ALA 329 CO 0.00 0.42 1.01 0.12 0.00 0.00 0.00 179.25 180.80 3goi s PHE 330 N -3.88 3.18 0.46 0.00 2.19 -1.26 -5.00 117.98 113.67 3goi s PHE 330 Ca -0.01 -1.55 -0.24 0.00 0.33 0.00 0.00 56.93 55.45 3goi s PHE 330 Cb 0.12 -4.31 -0.07 0.00 -1.31 0.00 0.00 43.02 37.45 3goi s PHE 330 CO 0.68 -1.49 1.29 -1.21 1.83 0.00 0.00 175.22 176.32 3goi s GLU 331 N 2.53 3.70 0.57 10.12 2.02 -1.26 -3.70 118.70 132.68 3goi s GLU 331 Ca 0.36 2.09 0.29 0.00 0.02 0.00 0.00 54.97 57.73 3goi s GLU 331 Cb -0.04 -2.54 1.47 0.00 0.10 0.00 0.00 34.13 33.12 3goi s GLU 331 CO -0.07 -0.69 1.92 1.15 0.02 0.00 0.00 175.26 177.59 3goi h THR 332 N 2.06 0.48 0.00 3.63 2.02 -1.92 0.17 112.91 119.35 3goi h THR 332 Ca -0.50 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 3goi h THR 332 Cb 1.26 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3goi h THR 332 CO 0.61 0.00 -0.16 0.08 0.37 0.00 0.00 175.52 176.42 3goi h ARG 333 N 0.00 0.00 -0.17 6.66 0.11 -1.93 -1.72 114.38 117.33 3goi h ARG 333 Ca 0.27 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.21 3goi h ARG 333 Cb 1.26 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 3goi h ARG 333 CO -0.00 0.16 -0.48 0.74 0.10 0.00 0.00 179.97 180.48 3goi h PHE 334 N 0.00 0.55 -0.59 4.08 0.04 -1.00 -1.53 116.94 118.49 3goi h PHE 334 Ca -0.00 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.61 3goi h PHE 334 Cb 0.90 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 3goi h PHE 334 CO 0.00 0.85 0.39 0.28 -0.60 0.00 0.00 178.31 179.23 3goi h VAL 335 N 0.36 1.13 0.00 -0.55 2.07 -1.25 -0.00 116.25 118.01 3goi h VAL 335 Ca 0.02 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3goi h VAL 335 Cb 0.98 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3goi h VAL 335 CO 0.09 0.14 -1.24 -1.54 0.02 0.00 0.00 177.57 175.03 3goi n SER 336 N -4.45 0.78 -0.03 0.57 3.41 -1.05 -2.33 113.62 110.51 3goi n SER 336 Ca 0.06 0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.86 3goi n SER 336 Cb 0.07 0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 3goi n SER 336 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3goi h GLN 337 N 0.00 -0.00 -0.95 4.33 4.20 -0.70 -2.97 115.11 119.01 3goi h GLN 337 Ca -0.07 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.91 3goi h GLN 337 Cb 1.23 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.87 3goi h GLN 337 CO 0.02 0.62 0.45 0.28 -0.67 0.00 0.00 178.83 179.53 3goi h VAL 338 N -0.62 0.38 0.00 -0.54 2.07 -1.08 0.96 116.25 117.42 3goi h VAL 338 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3goi h VAL 338 Cb 0.62 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3goi h VAL 338 CO 0.00 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 3goi n GLU 339 N -5.07 0.79 -0.00 1.57 1.02 -0.99 -2.61 120.64 115.36 3goi n GLU 339 Ca 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.48 3goi n GLU 339 Cb 0.81 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 3goi n GLU 339 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3goi n SER 340 N -0.86 0.83 -4.47 1.62 7.64 0.30 -4.88 113.62 113.81 3goi n SER 340 Ca 0.14 -0.71 -0.46 0.00 1.01 0.00 0.00 58.87 58.85 3goi n SER 340 Cb 0.06 1.12 -0.02 0.00 -1.01 0.00 0.00 64.21 64.36 3goi n SER 340 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3goi n ASP 341 N -1.47 -0.36 -0.01 6.43 2.03 -0.99 -4.83 116.55 117.36 3goi n ASP 341 Ca 0.02 1.11 0.13 0.00 0.52 0.00 0.00 54.79 56.57 3goi n ASP 341 Cb 0.26 -1.09 0.48 0.00 -0.72 0.00 0.00 41.12 40.05 3goi n ASP 341 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3goi n THR 342 N -0.08 0.00 0.00 5.18 -2.24 -1.26 -4.88 114.28 111.00 3goi n THR 342 Ca 0.14 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3goi n THR 342 Cb 0.30 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3goi n THR 342 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3goi n GLY 343 N 1.49 1.33 0.22 3.38 0.00 -1.26 -5.01 105.19 105.33 3goi n GLY 343 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3goi n GLY 343 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3goi n ASP 344 N 0.00 1.11 0.00 1.61 5.75 -1.26 -4.94 116.55 118.82 3goi n ASP 344 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 3goi n ASP 344 Cb 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3goi n ASP 344 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3goi n ARG 345 N -0.80 0.00 -0.21 0.11 1.74 -1.26 -4.86 116.66 111.39 3goi n ARG 345 Ca 0.09 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 3goi n ARG 345 Cb 0.37 -3.51 0.03 0.00 -1.02 0.00 0.00 32.46 28.33 3goi n ARG 345 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3goi h LYS 346 N 1.36 0.87 0.00 5.56 3.64 -1.98 0.96 116.57 126.98 3goi h LYS 346 Ca 0.00 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3goi h LYS 346 Cb 0.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3goi h LYS 346 CO 0.00 0.73 -1.06 -0.56 -2.27 0.00 0.00 179.45 176.29 3goi h GLN 347 N 0.82 0.00 0.45 1.90 3.07 -1.94 -2.26 115.11 117.14 3goi h GLN 347 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.93 3goi h GLN 347 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 3goi h GLN 347 CO -0.02 0.06 -0.34 0.82 0.09 0.00 0.00 178.83 179.44 3goi h ILE 348 N 0.00 0.31 -0.86 1.86 2.04 -1.81 -2.44 117.51 116.60 3goi h ILE 348 Ca -0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.97 3goi h ILE 348 Cb 1.12 0.31 -0.15 0.00 -0.74 0.00 0.00 36.82 37.36 3goi h ILE 348 CO 0.01 0.00 -0.37 0.22 0.00 0.00 0.00 178.15 178.01 3goi h TYR 349 N -0.77 -1.01 -0.71 1.37 3.20 0.93 -0.90 116.97 119.08 3goi h TYR 349 Ca -0.04 0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3goi h TYR 349 Cb 0.66 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 3goi h TYR 349 CO -0.15 -0.40 0.34 -0.91 -1.64 0.00 0.00 178.16 175.41 3goi h ASN 350 N -0.05 0.93 0.49 -2.11 2.35 -1.32 0.29 115.58 116.15 3goi h ASN 350 Ca 0.31 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3goi h ASN 350 Cb 0.59 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3goi h ASN 350 CO -0.89 0.80 -0.24 0.40 -1.65 0.00 0.00 177.43 175.86 3goi h ILE 351 N 0.99 0.52 -0.61 2.81 2.04 -1.15 -0.99 117.51 121.12 3goi h ILE 351 Ca 0.24 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.08 3goi h ILE 351 Cb 0.12 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3goi h ILE 351 CO -0.03 0.01 0.40 -0.07 0.00 0.00 0.00 178.15 178.46 3goi h LEU 352 N -0.69 0.66 -1.10 1.44 3.38 -0.83 -1.51 115.31 116.67 3goi h LEU 352 Ca -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3goi h LEU 352 Cb 0.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3goi h LEU 352 CO 0.11 0.47 -0.38 -1.28 0.09 0.00 0.00 178.44 177.44 3goi h SER 353 N 0.77 0.13 -0.28 -0.43 0.87 -0.24 -1.48 113.55 112.90 3goi h SER 353 Ca 0.23 -0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.63 3goi h SER 353 Cb -0.01 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3goi h SER 353 CO -0.06 0.51 -0.24 0.74 -0.53 0.00 0.00 176.83 177.25 3goi h THR 354 N 0.11 1.27 -0.08 2.23 2.02 -0.14 -2.35 112.91 115.98 3goi h THR 354 Ca 0.01 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.84 3goi h THR 354 Cb 0.73 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3goi h THR 354 CO 0.05 0.45 0.00 0.18 0.37 0.00 0.00 175.52 176.57 3goi n LEU 355 N -4.11 1.38 -0.49 2.58 4.77 -0.99 -4.85 117.00 115.30 3goi n LEU 355 Ca -0.00 -0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 55.23 3goi n LEU 355 Cb 0.44 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3goi n LEU 355 CO 0.45 0.26 -0.06 0.61 -1.33 0.00 0.00 177.39 177.32 3goi n GLY 356 N 0.20 0.44 3.74 -0.72 0.00 -0.88 -4.23 105.19 103.74 3goi n GLY 356 Ca 0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 3goi n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3goi s LEU 357 N -1.32 3.39 -0.50 0.99 1.43 -0.59 -4.59 118.68 117.49 3goi s LEU 357 Ca 0.00 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3goi s LEU 357 Cb 0.00 -1.91 0.17 0.00 0.03 0.00 0.00 46.19 44.48 3goi s LEU 357 CO 0.00 -0.16 0.37 -0.13 0.23 0.00 0.00 176.35 176.66 3goi s ARG 358 N -3.81 1.40 0.52 1.70 1.81 -1.26 -3.75 118.95 115.56 3goi s ARG 358 Ca 0.35 -2.45 -0.16 0.00 -1.72 0.00 0.00 55.73 51.76 3goi s ARG 358 Cb -0.05 -2.11 -0.07 0.00 -0.45 0.00 0.00 34.95 32.26 3goi s ARG 358 CO 0.23 -1.33 0.98 -1.25 -0.68 0.00 0.00 175.30 173.25 3goi s PRO 359 N -0.33 3.91 0.64 3.54 0.04 -1.26 -5.04 135.00 136.50 3goi s PRO 359 Ca 0.28 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 3goi s PRO 359 Cb -0.03 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.43 3goi s PRO 359 CO -0.16 -0.29 0.91 -1.54 0.04 0.00 0.00 177.00 175.96 3goi s SER 360 N -3.18 4.92 0.23 6.66 1.04 -1.26 -4.87 113.70 117.24 3goi s SER 360 Ca 0.58 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.96 3goi s SER 360 Cb -0.10 -0.81 0.26 0.00 0.10 0.00 0.00 66.02 65.47 3goi s SER 360 CO 0.33 -1.45 1.57 0.74 0.98 0.00 0.00 173.24 175.41 3goi h THR 361 N -0.30 0.08 0.01 2.02 2.02 -2.00 -0.94 112.91 113.81 3goi h THR 361 Ca -0.42 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.55 3goi h THR 361 Cb 1.30 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3goi h THR 361 CO 0.53 0.00 -0.92 0.71 0.37 0.00 0.00 175.52 176.21 3goi h THR 362 N -0.04 1.48 -0.10 3.16 1.35 -2.00 -2.12 112.91 114.64 3goi h THR 362 Ca 0.35 -2.62 0.04 0.00 -0.55 0.00 0.00 66.41 63.63 3goi h THR 362 Cb 0.60 2.49 -0.06 0.00 -1.73 0.00 0.00 68.15 69.45 3goi h THR 362 CO -0.89 0.77 -0.29 0.44 -0.25 0.00 0.00 175.52 175.29 3goi h ASP 363 N 0.13 -0.89 -0.88 5.36 3.32 -1.75 -1.22 116.42 120.49 3goi h ASP 363 Ca -0.06 0.13 0.15 0.00 0.02 0.00 0.00 57.03 57.27 3goi h ASP 363 Cb 1.55 0.38 -0.07 0.00 0.22 0.00 0.00 39.33 41.42 3goi h ASP 363 CO 0.14 -0.34 0.57 0.00 -1.72 0.00 0.00 179.24 177.90 3goi h ASP 365 N 0.65 0.63 -0.00 0.00 3.32 -0.62 -1.61 116.42 118.79 3goi h ASP 365 Ca 0.44 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3goi h ASP 365 Cb 0.75 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3goi h ASP 365 CO -0.20 1.12 -0.00 0.40 -1.72 0.00 0.00 179.24 178.84 3goi h ILE 366 N 0.40 1.27 -1.00 0.35 2.04 -0.42 -0.00 117.51 120.15 3goi h ILE 366 Ca -0.02 -0.81 0.17 0.00 1.00 0.00 0.00 64.86 65.21 3goi h ILE 366 Cb 1.22 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 39.02 3goi h ILE 366 CO 0.12 0.21 0.62 0.58 0.00 0.00 0.00 178.15 179.68 3goi h VAL 367 N -0.34 0.76 -0.40 1.67 2.07 -0.95 0.15 116.25 119.22 3goi h VAL 367 Ca 0.00 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3goi h VAL 367 Cb 0.34 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3goi h VAL 367 CO 0.00 0.15 -0.03 -0.09 0.02 0.00 0.00 177.57 177.62 3goi h ARG 368 N 0.81 0.72 -0.90 1.57 2.43 -0.33 -2.36 114.38 116.31 3goi h ARG 368 Ca 0.55 -0.24 0.11 0.00 -0.81 0.00 0.00 59.98 59.58 3goi h ARG 368 Cb 0.81 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 3goi h ARG 368 CO -0.34 0.83 0.58 0.00 -1.51 0.00 0.00 179.97 179.53 3goi h ARG 369 N 0.54 0.83 -0.21 0.20 2.47 0.47 -0.34 114.38 118.34 3goi h ARG 369 Ca 0.11 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 3goi h ARG 369 Cb 0.52 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3goi h ARG 369 CO 0.03 0.55 -0.21 0.00 0.56 0.00 0.00 179.97 180.90 3goi h ALA 370 N 1.56 0.31 -0.11 0.04 0.00 -0.52 -1.38 119.26 119.16 3goi h ALA 370 Ca 0.42 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3goi h ALA 370 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3goi h ALA 370 CO -0.19 0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.35 3goi h GLU 372 N 0.09 0.00 0.10 0.00 5.08 -0.92 -0.88 114.58 118.05 3goi h GLU 372 Ca 0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 3goi h GLU 372 Cb 0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.30 3goi h GLU 372 CO -0.05 0.00 -1.18 0.77 -1.00 0.00 0.00 179.01 177.54 3goi h SER 373 N 0.00 0.70 0.00 1.42 0.02 -0.52 -1.96 113.55 113.20 3goi h SER 373 Ca 0.19 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3goi h SER 373 Cb 0.81 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3goi h SER 373 CO -0.00 1.47 -0.03 0.58 -1.14 0.00 0.00 176.83 177.71 3goi h VAL 374 N 0.22 1.65 0.00 2.27 2.07 -1.18 -2.74 116.25 118.53 3goi h VAL 374 Ca -0.15 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 3goi h VAL 374 Cb 1.86 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 34.58 3goi h VAL 374 CO 0.22 0.50 -0.14 0.77 0.02 0.00 0.00 177.57 178.94 3goi h SER 375 N -0.79 0.00 0.22 0.57 4.64 -1.28 0.64 113.55 117.55 3goi h SER 375 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3goi h SER 375 Cb 0.84 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.96 3goi h SER 375 CO 0.00 0.14 -1.33 0.74 -0.87 0.00 0.00 176.83 175.52 3goi h THR 376 N 0.00 1.31 -0.96 2.95 2.02 -1.34 -2.42 112.91 114.46 3goi h THR 376 Ca -0.00 -2.64 0.09 0.00 0.77 0.00 0.00 66.41 64.63 3goi h THR 376 Cb 0.42 3.06 -0.07 0.00 -1.74 0.00 0.00 68.15 69.82 3goi h THR 376 CO 0.02 0.79 0.62 -0.09 0.37 0.00 0.00 175.52 177.22 3goi h ARG 377 N -0.00 0.99 -0.46 6.66 2.43 -1.22 -1.13 114.38 121.65 3goi h ARG 377 Ca -0.24 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 3goi h ARG 377 Cb 2.02 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 3goi h ARG 377 CO 0.23 0.66 -0.10 0.00 -1.51 0.00 0.00 179.97 179.25 3goi h ALA 378 N 1.52 0.63 -0.39 2.80 0.00 -0.61 0.05 119.26 123.25 3goi h ALA 378 Ca 0.44 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3goi h ALA 378 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3goi h ALA 378 CO -0.20 0.52 0.13 0.00 0.00 0.00 0.00 179.25 179.70 3goi h ALA 379 N 0.88 1.49 0.17 0.00 0.00 -1.02 -0.74 119.26 120.04 3goi h ALA 379 Ca 0.12 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3goi h ALA 379 Cb 0.64 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3goi h ALA 379 CO 0.04 0.38 -1.34 0.45 0.00 0.00 0.00 179.25 178.78 3goi h HIS 380 N 0.56 0.66 -0.64 0.00 -0.00 -0.27 -2.08 115.15 113.39 3goi h HIS 380 Ca 0.14 -0.48 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 3goi h HIS 380 Cb 0.16 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3goi h HIS 380 CO 0.01 1.52 0.42 0.52 -0.00 0.00 0.00 177.93 180.40 3goi h MET 381 N -0.13 0.85 -0.37 2.45 2.86 -0.85 -2.18 114.93 117.55 3goi h MET 381 Ca -0.26 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.25 3goi h MET 381 Cb 1.90 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 3goi h MET 381 CO 0.16 0.57 -0.09 0.00 1.06 0.00 0.00 176.91 178.61 3goi h SER 383 N 0.58 0.00 0.00 0.00 4.64 -0.78 -1.86 113.55 116.14 3goi h SER 383 Ca 0.11 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.24 3goi h SER 383 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3goi h SER 383 CO 0.03 0.29 -0.66 0.00 -0.87 0.00 0.00 176.83 175.61 3goi h ALA 384 N 1.71 0.53 0.23 5.18 0.00 -0.84 0.58 119.26 126.66 3goi h ALA 384 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3goi h ALA 384 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3goi h ALA 384 CO 0.04 0.71 -0.11 0.78 0.00 0.00 0.00 179.25 180.66 3goi h GLY 385 N 0.94 -0.32 1.66 0.00 0.00 -1.31 -1.32 103.07 102.72 3goi h GLY 385 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3goi h GLY 385 CO 0.13 -0.12 0.03 -2.00 0.00 0.00 0.00 176.54 174.58 3goi h LEU 386 N -0.48 0.40 -0.21 3.11 6.46 -1.31 -0.40 115.31 122.89 3goi h LEU 386 Ca -0.03 -0.06 -0.14 0.00 -0.12 0.00 0.00 57.88 57.53 3goi h LEU 386 Cb 0.36 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3goi h LEU 386 CO 0.05 0.44 -0.66 0.00 -0.62 0.00 0.00 178.44 177.65 3goi h ALA 387 N 1.61 0.64 -0.29 1.25 0.00 -0.77 -1.30 119.26 120.39 3goi h ALA 387 Ca 0.10 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3goi h ALA 387 Cb 0.24 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3goi h ALA 387 CO 0.00 0.83 -0.13 0.78 0.00 0.00 0.00 179.25 180.73 3goi h GLY 388 N 2.97 0.12 0.64 0.00 0.00 0.09 0.38 103.07 107.26 3goi h GLY 388 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3goi h GLY 388 CO 0.09 -0.15 -0.02 -2.08 0.00 0.00 0.00 176.54 174.38 3goi h VAL 389 N -0.08 1.23 -0.46 4.60 2.07 -1.19 -2.24 116.25 120.17 3goi h VAL 389 Ca 0.15 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 3goi h VAL 389 Cb 0.31 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3goi h VAL 389 CO -0.35 0.21 -0.03 0.40 0.02 0.00 0.00 177.57 177.82 3goi h ILE 390 N -0.40 1.24 0.00 4.57 2.04 -1.09 -2.17 117.51 121.70 3goi h ILE 390 Ca -0.00 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 3goi h ILE 390 Cb 0.38 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3goi h ILE 390 CO 0.01 0.36 -0.08 0.78 0.00 0.00 0.00 178.15 179.21 3goi h ASN 391 N 0.72 0.00 -0.26 1.72 2.35 -0.23 -2.19 115.58 117.69 3goi h ASN 391 Ca 0.14 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 3goi h ASN 391 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3goi h ASN 391 CO 0.02 0.08 -0.38 -0.09 -1.65 0.00 0.00 177.43 175.42 3goi h ARG 392 N 0.00 0.80 -0.09 0.81 2.43 -0.80 -2.72 114.38 114.81 3goi h ARG 392 Ca -0.00 -0.41 -0.11 0.00 -0.81 0.00 0.00 59.98 58.65 3goi h ARG 392 Cb 0.70 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3goi h ARG 392 CO 0.01 1.04 -0.44 0.52 -1.51 0.00 0.00 179.97 179.59 3goi h MET 393 N 0.66 0.21 -0.10 0.20 2.86 -1.10 -2.57 114.93 115.09 3goi h MET 393 Ca 0.06 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3goi h MET 393 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3goi h MET 393 CO 0.09 0.62 -0.06 -0.09 1.06 0.00 0.00 176.91 178.52 3goi h ARG 394 N 0.18 -0.06 -0.80 1.72 1.12 -1.32 -2.69 114.38 112.52 3goi h ARG 394 Ca 0.01 0.00 0.19 0.00 -1.11 0.00 0.00 59.98 59.08 3goi h ARG 394 Cb 0.85 0.01 -0.14 0.00 -0.01 0.00 0.00 29.97 30.69 3goi h ARG 394 CO 0.07 -0.04 0.05 0.93 -3.11 0.00 0.00 179.97 177.86 3goi h GLU 395 N -0.07 0.11 -3.73 0.20 5.08 -1.14 -3.20 114.58 111.83 3goi h GLU 395 Ca 0.06 -0.01 -0.76 0.00 -1.00 0.00 0.00 59.36 57.66 3goi h GLU 395 Cb 0.16 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.21 3goi h GLU 395 CO -0.14 0.08 1.74 0.43 -1.00 0.00 0.00 179.01 180.11 3goi n SER 396 N -5.34 5.24 0.00 1.42 7.64 -1.02 -4.86 113.62 116.71 3goi n SER 396 Ca 0.16 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.93 3goi n SER 396 Cb 0.53 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3goi n SER 396 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3goi n ARG 397 N 4.02 0.00 0.00 1.43 3.00 -1.21 -4.96 116.66 118.94 3goi n ARG 397 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 3goi n ARG 397 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 3goi n ARG 397 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3goi n SER 398 N 0.00 0.00 -4.75 6.15 3.41 -1.26 -4.98 113.62 112.19 3goi n SER 398 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3goi n SER 398 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3goi n SER 398 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3goi s GLU 399 N -0.46 2.98 0.48 4.33 1.03 -1.26 -4.91 118.70 120.90 3goi s GLU 399 Ca 0.00 2.13 0.26 0.00 0.03 0.00 0.00 54.97 57.39 3goi s GLU 399 Cb 0.00 -2.12 1.16 0.00 -0.80 0.00 0.00 34.13 32.38 3goi s GLU 399 CO 0.00 -1.28 1.93 -0.44 -1.33 0.00 0.00 175.26 174.14 3goi h ASP 400 N 1.17 0.00 -3.27 0.83 3.32 -1.97 -3.37 116.42 113.12 3goi h ASP 400 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 3goi h ASP 400 Cb 1.31 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.49 3goi h ASP 400 CO 0.56 0.17 -0.82 -0.69 -1.72 0.00 0.00 179.24 176.75 3goi s VAL 401 N -3.85 1.48 -0.28 -1.35 1.01 -1.26 -4.93 120.40 111.21 3goi s VAL 401 Ca -0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3goi s VAL 401 Cb 0.11 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3goi s VAL 401 CO 0.61 0.29 1.39 -0.32 0.00 0.00 0.00 175.10 177.07 3goi s MET 402 N 1.50 3.88 -0.18 2.72 1.75 -0.83 -4.91 119.30 123.22 3goi s MET 402 Ca 0.02 1.36 -0.15 0.00 -1.25 0.00 0.00 55.69 55.67 3goi s MET 402 Cb -0.14 -3.92 -0.04 0.00 2.84 0.00 0.00 34.83 33.56 3goi s MET 402 CO -0.09 -1.17 0.37 1.03 -0.65 0.00 0.00 175.02 174.51 3goi s ARG 403 N 4.31 4.21 -0.00 4.11 0.52 -1.26 -0.46 118.95 130.38 3goi s ARG 403 Ca 0.60 0.19 -0.11 0.00 -0.52 0.00 0.00 55.73 55.89 3goi s ARG 403 Cb -0.19 -3.50 0.01 0.00 0.52 0.00 0.00 34.95 31.79 3goi s ARG 403 CO 0.25 0.06 0.22 -1.50 0.02 0.00 0.00 175.30 174.34 3goi s ILE 404 N 1.01 0.07 -0.08 1.52 2.07 -0.37 -4.96 121.20 120.47 3goi s ILE 404 Ca 0.19 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 3goi s ILE 404 Cb -0.14 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 3goi s ILE 404 CO 0.07 -0.33 -0.11 -0.89 -1.91 0.00 0.00 174.94 171.77 3goi s THR 405 N -1.45 3.35 -0.17 4.00 2.01 -1.05 -0.84 115.64 121.48 3goi s THR 405 Ca -0.14 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3goi s THR 405 Cb -0.06 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.09 3goi s THR 405 CO 0.02 0.58 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.69 3goi s VAL 406 N -0.53 2.53 0.07 3.82 1.01 0.48 -2.57 120.40 125.21 3goi s VAL 406 Ca 0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3goi s VAL 406 Cb -0.12 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 3goi s VAL 406 CO 0.02 0.51 0.63 -0.83 0.00 0.00 0.00 175.10 175.43 3goi s GLY 407 N 1.06 2.72 0.03 4.51 0.00 -0.14 -1.54 107.32 113.95 3goi s GLY 407 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.85 3goi s GLY 407 CO -0.05 0.67 -0.07 0.14 0.00 0.00 0.00 173.10 173.80 3goi s VAL 408 N -0.78 0.51 0.21 1.40 1.01 0.17 -0.71 120.40 122.20 3goi s VAL 408 Ca 0.32 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3goi s VAL 408 Cb -0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3goi s VAL 408 CO 0.20 -0.19 0.33 -0.62 0.00 0.00 0.00 175.10 174.82 3goi s ASP 409 N -1.05 0.01 0.00 3.32 2.15 -0.75 -0.64 116.67 119.71 3goi s ASP 409 Ca -0.05 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 51.89 3goi s ASP 409 Cb -0.07 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 3goi s ASP 409 CO 0.00 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 3goi n GLY 410 N -0.30 3.85 0.23 2.66 0.00 -1.26 -0.85 105.19 109.53 3goi n GLY 410 Ca -0.02 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.74 3goi n GLY 410 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3goi h SER 411 N 0.00 0.00 0.15 1.61 4.64 -1.88 0.19 113.55 118.25 3goi h SER 411 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3goi h SER 411 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3goi h SER 411 CO 0.00 0.18 -0.07 0.58 -0.87 0.00 0.00 176.83 176.65 3goi h VAL 412 N 0.00 1.00 -0.70 0.95 2.07 -1.73 0.23 116.25 118.08 3goi h VAL 412 Ca -0.00 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 3goi h VAL 412 Cb 0.36 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3goi h VAL 412 CO 0.02 0.19 0.22 0.22 0.02 0.00 0.00 177.57 178.24 3goi h TYR 413 N -0.60 1.10 0.11 1.57 3.20 -1.26 -2.63 116.97 118.45 3goi h TYR 413 Ca -0.02 -0.10 -0.28 0.00 3.14 0.00 0.00 58.73 61.47 3goi h TYR 413 Cb 0.46 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3goi h TYR 413 CO 0.05 0.87 -1.44 0.87 -1.64 0.00 0.00 178.16 176.87 3goi h LYS 414 N 1.03 0.22 0.00 1.82 1.57 -0.91 -3.37 116.57 116.93 3goi h LYS 414 Ca 0.23 -0.38 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3goi h LYS 414 Cb 0.29 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3goi h LYS 414 CO -0.01 1.18 -2.01 1.28 -0.57 0.00 0.00 179.45 179.33 3goi n LEU 415 N -3.93 0.00 -4.71 2.94 4.77 0.06 -4.96 117.00 111.18 3goi n LEU 415 Ca -0.26 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 3goi n LEU 415 Cb 0.89 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 3goi n LEU 415 CO 0.39 0.06 1.17 -2.28 -1.33 0.00 0.00 177.39 175.40 3goi s HIS 416 N -3.32 2.96 0.37 -1.77 2.46 -0.99 -4.93 115.29 110.06 3goi s HIS 416 Ca -0.08 0.72 0.17 0.00 0.47 0.00 0.00 55.06 56.34 3goi s HIS 416 Cb 0.12 -3.79 1.09 0.00 -0.13 0.00 0.00 32.58 29.87 3goi s HIS 416 CO 0.86 -2.95 1.71 -1.00 -2.47 0.00 0.00 174.74 170.89 3goi h PRO 417 N 7.31 0.37 0.00 2.88 0.13 -1.90 -3.25 132.00 137.55 3goi h PRO 417 Ca -0.42 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3goi h PRO 417 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3goi h PRO 417 CO 0.90 0.25 -0.50 -1.13 -0.23 0.00 0.00 178.00 177.29 3goi n SER 418 N -4.81 0.01 0.13 1.44 3.41 -1.26 -4.85 113.62 107.69 3goi n SER 418 Ca 0.29 -1.98 -0.13 0.00 -0.26 0.00 0.00 58.87 56.79 3goi n SER 418 Cb 0.95 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 3goi n SER 418 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3goi h PHE 419 N 0.01 -0.32 -0.57 7.33 3.57 -1.88 -2.28 116.94 122.81 3goi h PHE 419 Ca -0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 3goi h PHE 419 Cb 1.40 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 40.16 3goi h PHE 419 CO 0.09 0.02 0.05 1.57 -2.23 0.00 0.00 178.31 177.81 3goi h LYS 420 N -0.73 0.16 -0.47 1.11 2.10 -1.80 0.29 116.57 117.24 3goi h LYS 420 Ca -0.04 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 3goi h LYS 420 Cb 0.49 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3goi h LYS 420 CO 0.06 0.11 -0.19 1.05 -2.00 0.00 0.00 179.45 178.48 3goi h GLU 421 N 0.17 0.96 -0.60 0.07 9.09 -1.87 0.31 114.58 122.71 3goi h GLU 421 Ca 0.29 -0.40 0.03 0.00 0.05 0.00 0.00 59.36 59.33 3goi h GLU 421 Cb 0.45 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.47 3goi h GLU 421 CO -0.44 1.07 0.36 0.00 0.05 0.00 0.00 179.01 180.05 3goi h ARG 422 N 0.81 0.67 -0.42 1.06 3.08 -0.92 -0.28 114.38 118.39 3goi h ARG 422 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3goi h ARG 422 Cb 0.76 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3goi h ARG 422 CO 0.06 0.45 0.22 0.35 -1.07 0.00 0.00 179.97 179.98 3goi h PHE 423 N 0.69 0.58 -0.72 3.04 3.04 -0.11 -0.79 116.94 122.68 3goi h PHE 423 Ca 0.25 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 3goi h PHE 423 Cb 0.06 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 3goi h PHE 423 CO -0.06 0.46 0.38 0.45 -2.02 0.00 0.00 178.31 177.51 3goi h HIS 424 N 0.54 1.00 -0.58 0.41 3.86 0.00 0.35 115.15 120.73 3goi h HIS 424 Ca 0.15 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3goi h HIS 424 Cb 0.08 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 3goi h HIS 424 CO -0.02 0.72 0.32 0.00 0.86 0.00 0.00 177.93 179.80 3goi h ALA 425 N 1.19 0.74 0.08 2.45 0.00 -0.83 -0.71 119.26 122.18 3goi h ALA 425 Ca 0.25 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 3goi h ALA 425 Cb 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3goi h ALA 425 CO -0.04 0.26 -1.13 1.03 0.00 0.00 0.00 179.25 179.38 3goi h SER 426 N 0.78 0.58 -0.87 0.00 0.87 -0.87 -1.70 113.55 112.35 3goi h SER 426 Ca 0.20 -0.53 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 3goi h SER 426 Cb 0.05 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 3goi h SER 426 CO -0.03 1.37 0.54 0.58 -0.53 0.00 0.00 176.83 178.75 3goi h VAL 427 N 0.18 1.03 -0.36 2.23 2.07 -0.70 -2.25 116.25 118.46 3goi h VAL 427 Ca -0.13 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 3goi h VAL 427 Cb 1.80 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3goi h VAL 427 CO 0.20 0.18 -0.43 0.03 0.02 0.00 0.00 177.57 177.56 3goi h ARG 428 N 0.97 0.92 -0.77 1.57 3.08 -0.91 -1.35 114.38 117.89 3goi h ARG 428 Ca 0.38 -0.51 0.17 0.00 0.07 0.00 0.00 59.98 60.09 3goi h ARG 428 Cb 0.19 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.16 3goi h ARG 428 CO -0.18 1.16 0.23 0.00 -1.07 0.00 0.00 179.97 180.12 3goi h ARG 429 N 0.74 0.31 0.00 0.04 3.08 -1.06 -1.89 114.38 115.59 3goi h ARG 429 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3goi h ARG 429 Cb 1.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3goi h ARG 429 CO 0.10 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.49 3goi n LEU 430 N -5.11 0.00 -3.10 3.04 4.77 -0.55 -4.26 117.00 111.78 3goi n LEU 430 Ca 0.16 0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 3goi n LEU 430 Cb 0.49 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3goi n LEU 430 CO 0.13 -0.01 -0.04 0.35 -1.33 0.00 0.00 177.39 176.49 3goi n THR 431 N -1.11 1.42 -1.74 -5.08 -2.24 -0.71 -4.97 114.28 99.84 3goi n THR 431 Ca 0.19 -5.03 -0.39 0.00 -2.27 0.00 0.00 64.05 56.55 3goi n THR 431 Cb 0.15 -1.05 0.04 0.00 -2.10 0.00 0.00 70.33 67.38 3goi n THR 431 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3goi n PRO 432 N 0.19 1.68 -2.08 -0.78 -0.04 -1.26 -1.98 135.00 130.73 3goi n PRO 432 Ca 0.28 0.62 -0.15 0.00 -0.04 0.00 0.00 63.50 64.21 3goi n PRO 432 Cb 0.51 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 3goi n PRO 432 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3goi n SER 433 N -1.02 -4.35 -4.64 3.54 3.41 -1.26 -5.01 113.62 104.29 3goi n SER 433 Ca 0.11 0.21 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 3goi n SER 433 Cb 0.45 -3.77 -0.09 0.00 -0.26 0.00 0.00 64.21 60.53 3goi n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3goi s GLU 435 N -2.16 2.06 -0.20 0.00 2.12 0.39 -4.93 118.70 115.97 3goi s GLU 435 Ca 0.23 -1.48 -0.07 0.00 0.36 0.00 0.00 54.97 54.01 3goi s GLU 435 Cb -0.11 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 3goi s GLU 435 CO 0.15 -0.67 0.05 0.42 -0.54 0.00 0.00 175.26 174.67 3goi s ILE 436 N 1.06 4.45 -0.07 -3.70 1.01 -1.26 -1.24 121.20 121.45 3goi s ILE 436 Ca -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3goi s ILE 436 Cb -0.20 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3goi s ILE 436 CO -0.06 0.42 0.07 -0.89 0.00 0.00 0.00 174.94 174.48 3goi s THR 437 N 0.86 4.78 -0.11 2.92 2.01 -0.02 -5.00 115.64 121.08 3goi s THR 437 Ca 0.03 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3goi s THR 437 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3goi s THR 437 CO 0.02 0.53 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.94 3goi s PHE 438 N -1.03 2.69 -0.07 4.92 0.40 -1.26 -0.39 117.98 123.24 3goi s PHE 438 Ca 0.17 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 3goi s PHE 438 Cb -0.12 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.66 3goi s PHE 438 CO 0.07 -0.26 -0.14 0.42 0.70 0.00 0.00 175.22 176.01 3goi s ILE 439 N 0.25 1.30 -0.18 0.64 -1.09 -0.59 -4.97 121.20 116.55 3goi s ILE 439 Ca -0.12 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.56 3goi s ILE 439 Cb -0.16 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 3goi s ILE 439 CO 0.06 0.39 0.48 -1.61 -1.23 0.00 0.00 174.94 173.04 3goi s GLU 440 N 0.66 4.22 0.30 2.79 2.02 -1.26 -0.66 118.70 126.77 3goi s GLU 440 Ca -0.14 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 3goi s GLU 440 Cb -0.16 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.44 3goi s GLU 440 CO 0.04 -0.06 1.22 -1.54 0.02 0.00 0.00 175.26 174.94 3goi s SER 441 N 1.01 6.99 -0.03 -0.19 1.04 0.18 -4.91 113.70 117.80 3goi s SER 441 Ca 0.23 2.49 -0.00 0.00 0.48 0.00 0.00 55.95 59.15 3goi s SER 441 Cb -0.15 -2.64 -0.00 0.00 0.10 0.00 0.00 66.02 63.33 3goi s SER 441 CO 0.09 -0.37 0.04 -0.08 0.98 0.00 0.00 173.24 173.90 3goi h GLU 442 N 3.73 -0.01 -2.13 4.02 4.22 -1.91 -3.39 114.58 119.10 3goi h GLU 442 Ca -0.48 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.38 3goi h GLU 442 Cb 1.22 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.07 3goi h GLU 442 CO 0.67 -0.01 -0.83 -1.91 -2.18 0.00 0.00 179.01 174.75 3goi n GLU 443 N -2.75 1.66 -0.25 1.92 4.07 -1.26 -4.93 120.64 119.10 3goi n GLU 443 Ca -0.00 -3.99 0.01 0.00 -0.06 0.00 0.00 57.16 53.12 3goi n GLU 443 Cb 0.00 -1.78 0.24 0.00 -0.06 0.00 0.00 31.44 29.84 3goi n GLU 443 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3goi h GLY 444 N 4.16 1.14 1.12 8.31 0.00 -1.91 -1.90 103.07 113.98 3goi h GLY 444 Ca 0.14 -0.41 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 3goi h GLY 444 CO 0.66 0.37 -1.16 0.23 0.00 0.00 0.00 176.54 176.64 3goi h SER 445 N 1.04 0.79 0.33 0.19 0.87 -1.89 -1.91 113.55 112.97 3goi h SER 445 Ca 0.31 -0.85 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 3goi h SER 445 Cb -0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3goi h SER 445 CO -0.08 1.56 -0.16 1.23 -0.53 0.00 0.00 176.83 178.85 3goi h GLY 446 N 0.14 -0.47 1.72 5.77 0.00 -1.84 -2.22 103.07 106.17 3goi h GLY 446 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3goi h GLY 446 CO 0.22 -0.17 0.11 3.21 0.00 0.00 0.00 176.54 179.91 3goi h ARG 447 N -0.94 0.00 0.00 4.80 3.08 -1.51 -2.44 114.38 117.38 3goi h ARG 447 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3goi h ARG 447 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3goi h ARG 447 CO 0.08 0.00 -0.20 0.78 -1.07 0.00 0.00 179.97 179.56 3goi h GLY 448 N 0.00 0.00 -0.61 0.04 0.00 -1.19 -0.70 103.07 100.61 3goi h GLY 448 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3goi h GLY 448 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.34 3goi n ALA 449 N -2.83 0.02 -0.05 3.60 0.00 -0.85 -0.93 120.51 119.47 3goi n ALA 449 Ca -0.03 0.64 -0.12 0.00 0.00 0.00 0.00 53.44 53.93 3goi n ALA 449 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3goi n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3goi h ALA 450 N 1.02 0.58 -0.06 0.00 0.00 -1.49 -0.87 119.26 118.44 3goi h ALA 450 Ca 0.25 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3goi h ALA 450 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3goi h ALA 450 CO -0.62 0.68 0.09 -0.07 0.00 0.00 0.00 179.25 179.33 3goi h LEU 451 N 0.59 0.00 0.00 0.00 3.38 0.57 0.92 115.31 120.76 3goi h LEU 451 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3goi h LEU 451 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3goi h LEU 451 CO 0.11 0.00 -0.72 0.52 0.09 0.00 0.00 178.44 178.44 3goi n VAL 452 N -3.67 1.32 -0.07 1.22 0.31 -0.96 -3.19 118.33 113.29 3goi n VAL 452 Ca -0.01 0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 64.50 3goi n VAL 452 Cb 0.18 -2.28 -0.02 0.00 -0.91 0.00 0.00 33.84 30.81 3goi n VAL 452 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3goi n SER 453 N -4.31 -0.18 -0.26 4.52 7.64 -0.37 0.06 113.62 120.72 3goi n SER 453 Ca -0.10 0.33 0.21 0.00 1.01 0.00 0.00 58.87 60.32 3goi n SER 453 Cb 0.38 -0.05 0.53 0.00 -1.01 0.00 0.00 64.21 64.05 3goi n SER 453 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3goi h ALA 454 N 0.06 2.28 0.00 -0.43 0.00 -0.90 0.19 119.26 120.46 3goi h ALA 454 Ca 0.03 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3goi h ALA 454 Cb 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3goi h ALA 454 CO -0.16 -0.60 -1.25 0.28 0.00 0.00 0.00 179.25 177.52 3goi h VAL 455 N 0.37 0.83 -0.32 0.00 2.07 -0.48 -1.33 116.25 117.38 3goi h VAL 455 Ca 0.50 -2.42 -0.15 0.00 0.82 0.00 0.00 66.70 65.46 3goi h VAL 455 Cb 1.33 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 3goi h VAL 455 CO -0.19 0.47 -0.39 0.00 0.02 0.00 0.00 177.57 177.48 3goi h ALA 456 N 1.27 0.69 -0.88 1.67 0.00 0.76 -2.89 119.26 119.89 3goi h ALA 456 Ca -0.14 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 54.45 3goi h ALA 456 Cb 1.68 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 3goi h ALA 456 CO 0.07 0.67 0.50 0.00 0.00 0.00 0.00 179.25 180.49 3goi h LYS 458 N 0.76 0.00 -0.97 0.00 1.63 -1.56 0.18 116.57 116.60 3goi h LYS 458 Ca 0.46 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.97 3goi h LYS 458 Cb 0.56 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.01 3goi h LYS 458 CO -0.31 0.00 0.37 1.17 -3.45 0.00 0.00 179.45 177.23 3goi n LYS 459 N -3.97 1.94 0.00 1.90 4.81 -0.63 -4.69 118.16 117.51 3goi n LYS 459 Ca 0.03 -1.87 0.00 0.00 -0.87 0.00 0.00 58.31 55.61 3goi n LYS 459 Cb 0.39 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.69 3goi n LYS 459 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3goi n ALA 460 N -0.43 0.00 0.00 3.14 0.00 0.62 -5.08 120.51 118.76 3goi n ALA 460 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3goi n ALA 460 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.64 3goi n ALA 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50