#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm s ASN 4 N 0.00 3.47 0.56 -2.13 3.84 -1.26 -5.01 114.94 114.40 1nvm s ASN 4 Ca 0.00 -0.47 0.28 0.00 0.21 0.00 0.00 52.86 52.89 1nvm s ASN 4 Cb 0.00 -1.49 1.66 0.00 -0.55 0.00 0.00 41.25 40.87 1nvm s ASN 4 CO 0.00 0.16 2.18 -0.65 -2.79 0.00 0.00 177.10 176.00 1nvm h PRO 5 N 6.71 0.00 0.00 0.43 0.11 -1.96 -1.05 132.00 136.23 1nvm h PRO 5 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1nvm h PRO 5 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nvm h PRO 5 CO 0.51 0.05 0.00 0.77 -0.21 0.00 0.00 178.00 179.12 1nvm h SER 6 N 0.00 0.00 -2.50 -2.05 0.02 -1.95 -1.78 113.55 105.29 1nvm h SER 6 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1nvm h SER 6 Cb 0.14 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.73 1nvm h SER 6 CO 0.01 0.00 0.99 1.17 -1.14 0.00 0.00 176.83 177.86 1nvm n LYS 7 N -2.64 2.62 -2.14 3.45 4.81 -0.40 -4.72 118.16 119.13 1nvm n LYS 7 Ca 0.03 0.95 -0.42 0.00 -0.87 0.00 0.00 58.31 57.99 1nvm n LYS 7 Cb 0.36 -2.79 -0.03 0.00 0.02 0.00 0.00 35.03 32.59 1nvm n LYS 7 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1nvm s LYS 8 N 1.64 4.26 0.38 1.64 2.47 -1.26 -4.27 119.74 124.59 1nvm s LYS 8 Ca 0.78 2.06 -0.17 0.00 -1.56 0.00 0.00 55.97 57.09 1nvm s LYS 8 Cb -0.55 -3.59 -0.10 0.00 -1.46 0.00 0.00 37.83 32.14 1nvm s LYS 8 CO 0.36 -0.62 0.83 -0.51 0.16 0.00 0.00 175.35 175.56 1nvm s LEU 9 N 2.49 3.98 -0.31 5.43 1.43 -0.18 -5.05 118.68 126.48 1nvm s LEU 9 Ca 0.66 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 1nvm s LEU 9 Cb -0.34 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1nvm s LEU 9 CO 0.28 -0.29 0.18 -0.47 0.23 0.00 0.00 176.35 176.28 1nvm s TYR 10 N -2.11 3.19 -0.32 0.29 6.14 -0.70 -4.79 117.35 119.06 1nvm s TYR 10 Ca 0.57 -0.32 -0.11 0.00 0.64 0.00 0.00 57.07 57.85 1nvm s TYR 10 Cb -0.10 -2.39 -0.02 0.00 0.42 0.00 0.00 41.96 39.88 1nvm s TYR 10 CO 0.17 -0.36 0.19 0.42 0.64 0.00 0.00 175.55 176.61 1nvm s ILE 11 N 1.67 4.99 -0.35 3.14 -1.09 -1.26 -1.35 121.20 126.95 1nvm s ILE 11 Ca 0.06 -0.24 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1nvm s ILE 11 Cb -0.17 -3.52 0.07 0.00 -1.58 0.00 0.00 42.46 37.26 1nvm s ILE 11 CO 0.08 0.07 0.10 -0.55 -1.23 0.00 0.00 174.94 173.41 1nvm s SER 12 N 1.68 5.12 0.11 3.58 0.15 -0.30 -1.06 113.70 122.98 1nvm s SER 12 Ca 0.06 -1.53 -0.27 0.00 0.70 0.00 0.00 55.95 54.91 1nvm s SER 12 Cb -0.17 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1nvm s SER 12 CO 0.09 -0.38 0.84 -0.62 1.20 0.00 0.00 173.24 174.37 1nvm s ASP 13 N 1.51 7.37 -0.12 5.45 -1.08 -0.13 -1.77 116.67 127.90 1nvm s ASP 13 Ca 0.01 1.64 0.17 0.00 -0.52 0.00 0.00 52.55 53.85 1nvm s ASP 13 Cb -0.21 -2.52 0.29 0.00 -1.46 0.00 0.00 42.92 39.02 1nvm s ASP 13 CO -0.01 0.05 1.16 1.33 0.52 0.00 0.00 175.17 178.22 1nvm n VAL 14 N 2.41 1.85 -0.30 1.11 0.24 -0.18 -1.07 118.33 122.40 1nvm n VAL 14 Ca -0.02 -2.13 0.07 0.00 -2.04 0.00 0.00 64.34 60.22 1nvm n VAL 14 Cb 0.49 -0.18 0.28 0.00 -1.47 0.00 0.00 33.84 32.96 1nvm n VAL 14 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nvm h THR 15 N 0.18 0.98 -0.42 3.34 2.02 -1.81 -0.46 112.91 116.74 1nvm h THR 15 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1nvm h THR 15 Cb 1.00 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1nvm h THR 15 CO 0.02 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.26 1nvm n LEU 16 N -4.54 3.22 0.01 2.58 4.77 -1.24 -2.75 117.00 119.06 1nvm n LEU 16 Ca 0.16 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1nvm n LEU 16 Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1nvm n LEU 16 CO 0.31 0.56 0.00 -1.14 -1.33 0.00 0.00 177.39 175.79 1nvm n ARG 17 N 0.64 0.00 -0.07 3.23 0.00 -0.74 -2.81 116.66 116.91 1nvm n ARG 17 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.99 1nvm n ARG 17 Cb 0.61 -0.03 0.22 0.00 0.00 0.00 0.00 32.46 33.27 1nvm n ARG 17 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1nvm h ASP 18 N 0.00 0.65 0.22 6.15 1.82 -1.35 -1.19 116.42 122.72 1nvm h ASP 18 Ca 0.00 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1nvm h ASP 18 Cb 0.00 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.84 1nvm h ASP 18 CO 0.00 0.70 -0.02 1.23 -1.61 0.00 0.00 179.24 179.53 1nvm h GLY 19 N 0.92 0.00 1.15 -0.78 0.00 -1.27 -1.18 103.07 101.91 1nvm h GLY 19 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1nvm h GLY 19 CO 0.01 0.00 0.37 0.23 0.00 0.00 0.00 176.54 177.15 1nvm h SER 20 N 0.00 0.37 -0.79 0.19 0.87 -1.30 -0.75 113.55 112.14 1nvm h SER 20 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1nvm h SER 20 Cb 0.14 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1nvm h SER 20 CO 0.00 0.23 0.35 0.45 -0.53 0.00 0.00 176.83 177.33 1nvm h HIS 21 N 0.42 1.17 -0.00 2.24 -0.00 -1.33 0.12 115.15 117.77 1nvm h HIS 21 Ca 0.25 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1nvm h HIS 21 Cb 0.44 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1nvm h HIS 21 CO -0.00 0.87 -0.33 0.00 -0.00 0.00 0.00 177.93 178.46 1nvm h ALA 22 N 1.24 1.45 -0.58 2.45 0.00 -1.27 -2.80 119.26 119.74 1nvm h ALA 22 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 22 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nvm h ALA 22 CO -0.03 0.42 0.00 1.51 0.00 0.00 0.00 179.25 181.15 1nvm n ILE 23 N -4.14 1.25 -3.74 0.00 3.06 -1.02 -4.66 119.36 110.11 1nvm n ILE 23 Ca -0.02 -1.09 -0.25 0.00 -2.50 0.00 0.00 62.75 58.89 1nvm n ILE 23 Cb 0.37 0.38 0.05 0.00 0.54 0.00 0.00 39.64 40.98 1nvm n ILE 23 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1nvm n ARG 24 N 1.10 -6.01 -3.24 9.51 1.74 -0.68 -2.40 116.66 116.68 1nvm n ARG 24 Ca 0.21 0.68 -0.23 0.00 -0.77 0.00 0.00 57.85 57.74 1nvm n ARG 24 Cb 0.64 -5.53 0.03 0.00 -1.02 0.00 0.00 32.46 26.59 1nvm n ARG 24 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nvm n HIS 25 N -4.58 -2.10 -1.40 -1.55 8.25 0.35 -4.81 115.22 109.38 1nvm n HIS 25 Ca -0.10 0.61 -0.01 0.00 -0.26 0.00 0.00 57.72 57.97 1nvm n HIS 25 Cb 0.59 -4.25 0.21 0.00 1.12 0.00 0.00 29.99 27.66 1nvm n HIS 25 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1nvm n GLN 26 N -4.17 1.92 -1.77 -0.41 1.13 -1.01 -0.96 117.38 112.10 1nvm n GLN 26 Ca -0.07 -3.13 -0.41 0.00 -1.94 0.00 0.00 57.00 51.46 1nvm n GLN 26 Cb 0.59 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1nvm n GLN 26 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nvm n TYR 27 N -1.07 2.89 -2.47 1.08 4.01 -1.26 -4.89 117.16 115.46 1nvm n TYR 27 Ca 0.29 0.45 -0.24 0.00 -0.16 0.00 0.00 57.90 58.24 1nvm n TYR 27 Cb 0.96 -2.51 0.04 0.00 -0.31 0.00 0.00 39.34 37.53 1nvm n TYR 27 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1nvm s THR 28 N -1.14 2.98 0.24 -0.72 -4.23 -1.26 -4.69 115.64 106.83 1nvm s THR 28 Ca 0.55 -0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1nvm s THR 28 Cb -0.47 -3.19 0.15 0.00 1.34 0.00 0.00 72.50 70.33 1nvm s THR 28 CO 0.62 -0.17 1.79 -0.07 -0.54 0.00 0.00 174.62 176.25 1nvm h LEU 29 N -0.18 0.94 -1.11 4.79 3.38 -1.98 -2.30 115.31 118.84 1nvm h LEU 29 Ca -0.44 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1nvm h LEU 29 Cb 1.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1nvm h LEU 29 CO 0.58 0.88 -0.10 0.44 0.09 0.00 0.00 178.44 180.33 1nvm h ASP 30 N 0.97 0.49 -0.21 -0.43 3.32 -1.99 -1.58 116.42 117.00 1nvm h ASP 30 Ca 0.22 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1nvm h ASP 30 Cb 0.28 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1nvm h ASP 30 CO -0.01 0.63 0.03 0.44 -1.72 0.00 0.00 179.24 178.61 1nvm h ASP 31 N 0.48 -0.01 0.51 6.45 3.32 -1.85 -0.65 116.42 124.67 1nvm h ASP 31 Ca 0.09 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1nvm h ASP 31 Cb 0.46 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1nvm h ASP 31 CO 0.03 0.03 -0.57 -0.37 -1.72 0.00 0.00 179.24 176.63 1nvm h VAL 32 N 0.11 1.40 -0.39 -1.35 -1.51 -1.13 -1.20 116.25 112.19 1nvm h VAL 32 Ca 0.09 -1.94 -0.09 0.00 -1.23 0.00 0.00 66.70 63.54 1nvm h VAL 32 Cb 0.09 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1nvm h VAL 32 CO -0.13 0.56 -0.11 0.03 -1.23 0.00 0.00 177.57 176.68 1nvm h ARG 33 N 0.04 0.76 -0.36 5.19 3.08 -1.07 -0.09 114.38 121.94 1nvm h ARG 33 Ca -0.00 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1nvm h ARG 33 Cb 1.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1nvm h ARG 33 CO 0.08 0.91 0.08 0.00 -1.07 0.00 0.00 179.97 179.97 1nvm h ALA 34 N 0.83 0.47 -0.19 0.04 0.00 -0.83 0.59 119.26 120.17 1nvm h ALA 34 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1nvm h ALA 34 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nvm h ALA 34 CO 0.04 0.15 0.04 0.82 0.00 0.00 0.00 179.25 180.30 1nvm h ILE 35 N 0.42 1.21 -0.68 0.00 2.04 -1.20 -2.42 117.51 116.89 1nvm h ILE 35 Ca 0.11 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1nvm h ILE 35 Cb 0.31 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1nvm h ILE 35 CO 0.00 0.21 0.30 0.00 0.00 0.00 0.00 178.15 178.66 1nvm h ALA 36 N 0.84 1.24 -0.72 1.87 0.00 -0.80 -1.15 119.26 120.54 1nvm h ALA 36 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nvm h ALA 36 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nvm h ALA 36 CO 0.00 0.57 0.40 0.00 0.00 0.00 0.00 179.25 180.22 1nvm h ARG 37 N 0.98 0.99 -0.43 0.00 3.08 -0.77 0.53 114.38 118.76 1nvm h ARG 37 Ca 0.23 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1nvm h ARG 37 Cb 0.14 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1nvm h ARG 37 CO -0.03 0.73 -0.30 0.00 -1.07 0.00 0.00 179.97 179.31 1nvm h ALA 38 N 1.20 0.65 -0.43 0.04 0.00 -1.02 -1.83 119.26 117.87 1nvm h ALA 38 Ca 0.25 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 38 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nvm h ALA 38 CO -0.04 0.68 -0.06 -0.07 0.00 0.00 0.00 179.25 179.75 1nvm h LEU 39 N 0.81 0.80 -0.76 0.00 3.38 -0.93 -1.65 115.31 116.97 1nvm h LEU 39 Ca 0.09 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1nvm h LEU 39 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1nvm h LEU 39 CO 0.08 0.96 0.27 -0.78 0.09 0.00 0.00 178.44 179.06 1nvm h ASP 40 N 0.63 1.07 -0.61 -0.43 3.58 -0.83 -2.40 116.42 117.45 1nvm h ASP 40 Ca 0.11 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1nvm h ASP 40 Cb 0.58 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 1nvm h ASP 40 CO 0.03 0.98 0.29 0.50 -2.88 0.00 0.00 179.24 178.16 1nvm h LYS 41 N 1.11 0.91 0.00 0.28 3.64 -1.20 -0.99 116.57 120.31 1nvm h LYS 41 Ca 0.25 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nvm h LYS 41 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1nvm h LYS 41 CO -0.01 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.88 1nvm n ALA 42 N -2.44 1.85 -3.12 5.00 0.00 -0.63 -4.82 120.51 116.34 1nvm n ALA 42 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1nvm n ALA 42 Cb 0.14 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.30 1nvm n ALA 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nvm n LYS 43 N -1.73 -4.61 -1.44 0.00 4.76 -0.38 -1.62 118.16 113.15 1nvm n LYS 43 Ca 0.04 0.50 -0.32 0.00 -2.87 0.00 0.00 58.31 55.66 1nvm n LYS 43 Cb 0.24 -4.53 0.08 0.00 -1.84 0.00 0.00 35.03 28.98 1nvm n LYS 43 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1nvm s VAL 44 N -3.17 3.28 0.10 -0.18 -7.23 -1.13 -4.60 120.40 107.48 1nvm s VAL 44 Ca 0.34 0.48 -0.07 0.00 -1.81 0.00 0.00 61.98 60.92 1nvm s VAL 44 Cb -0.15 -2.98 -0.22 0.00 0.56 0.00 0.00 36.38 33.59 1nvm s VAL 44 CO 0.42 -0.48 1.23 0.44 -0.31 0.00 0.00 175.10 176.40 1nvm h ASP 45 N -0.69 0.62 -5.06 4.85 5.19 -1.47 -3.35 116.42 116.50 1nvm h ASP 45 Ca -0.45 -0.53 -0.09 0.00 -0.62 0.00 0.00 57.03 55.34 1nvm h ASP 45 Cb 1.24 -0.19 -0.17 0.00 0.18 0.00 0.00 39.33 40.39 1nvm h ASP 45 CO 0.52 1.35 -0.28 -0.94 -3.12 0.00 0.00 179.24 176.77 1nvm s SER 46 N -7.18 -0.09 -0.21 6.45 1.04 -1.05 -1.68 113.70 110.99 1nvm s SER 46 Ca -0.07 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1nvm s SER 46 Cb 0.08 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1nvm s SER 46 CO 0.89 -0.62 -0.08 -0.63 0.98 0.00 0.00 173.24 173.78 1nvm s ILE 47 N -2.66 1.54 -0.04 -1.02 1.01 -0.01 -0.96 121.20 119.06 1nvm s ILE 47 Ca -0.04 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1nvm s ILE 47 Cb -0.01 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1nvm s ILE 47 CO -0.04 0.06 0.57 -0.70 0.00 0.00 0.00 174.94 174.84 1nvm s GLU 48 N 1.42 4.32 -0.08 2.79 2.12 -0.23 -0.89 118.70 128.16 1nvm s GLU 48 Ca -0.03 0.67 -0.01 0.00 0.36 0.00 0.00 54.97 55.97 1nvm s GLU 48 Cb -0.17 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 30.87 1nvm s GLU 48 CO -0.07 0.28 -0.02 0.08 -0.54 0.00 0.00 175.26 174.99 1nvm s VAL 49 N 0.13 0.52 0.00 3.70 1.01 0.15 -3.00 120.40 122.90 1nvm s VAL 49 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1nvm s VAL 49 Cb -0.17 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1nvm s VAL 49 CO 0.15 0.28 0.00 0.00 0.00 0.00 0.00 175.10 175.54 1nvm n ALA 50 N 5.04 0.00 -0.57 5.51 0.00 -1.12 -4.59 120.51 124.79 1nvm n ALA 50 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1nvm n ALA 50 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.17 1nvm n ALA 50 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1nvm n HIS 51 N -0.15 -1.00 -0.15 0.00 -0.00 -1.25 -4.13 115.22 108.54 1nvm n HIS 51 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.72 57.71 1nvm n HIS 51 Cb 0.00 -1.72 0.19 0.00 -0.00 0.00 0.00 29.99 28.46 1nvm n HIS 51 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1nvm h GLY 52 N -2.38 0.93 -2.72 1.57 0.00 -1.88 -0.90 103.07 97.68 1nvm h GLY 52 Ca -0.56 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.14 1nvm h GLY 52 CO 0.45 0.48 0.15 1.22 0.00 0.00 0.00 176.54 178.83 1nvm n ASP 53 N -4.29 3.59 -0.17 0.19 8.00 -1.26 -4.75 116.55 117.86 1nvm n ASP 53 Ca 0.04 -2.68 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1nvm n ASP 53 Cb 0.20 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1nvm n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvm n GLY 54 N 0.04 -1.77 3.66 0.44 0.00 -0.34 -4.46 105.19 102.76 1nvm n GLY 54 Ca 0.23 -1.33 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 1nvm n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nvm n LEU 55 N 0.00 2.93 -1.98 0.99 4.77 0.00 -0.85 117.00 122.87 1nvm n LEU 55 Ca 0.00 1.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.88 1nvm n LEU 55 Cb 0.00 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 39.70 1nvm n LEU 55 CO 0.00 -0.36 -0.22 0.00 -1.33 0.00 0.00 177.39 175.47 1nvm n GLN 56 N 3.75 -1.39 0.20 3.23 1.13 -1.26 -3.26 117.38 119.77 1nvm n GLN 56 Ca 0.18 0.86 0.09 0.00 -1.94 0.00 0.00 57.00 56.19 1nvm n GLN 56 Cb 0.27 -5.33 0.29 0.00 0.11 0.00 0.00 30.24 25.59 1nvm n GLN 56 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1nvm h GLY 57 N 0.00 0.00 -5.11 1.08 0.00 -1.21 -3.45 103.07 94.38 1nvm h GLY 57 Ca -0.41 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.33 1nvm h GLY 57 CO 0.49 0.00 0.86 -1.26 0.00 0.00 0.00 176.54 176.63 1nvm n SER 58 N -3.26 3.18 -3.66 0.19 2.88 -1.26 -4.56 113.62 107.12 1nvm n SER 58 Ca 0.01 1.06 0.03 0.00 -1.33 0.00 0.00 58.87 58.64 1nvm n SER 58 Cb 0.53 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1nvm n SER 58 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nvm s SER 59 N 1.51 -0.02 0.17 -3.46 1.04 -1.02 -4.91 113.70 107.01 1nvm s SER 59 Ca 0.81 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 57.04 1nvm s SER 59 Cb -0.68 0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.60 1nvm s SER 59 CO 0.40 -0.19 1.63 -0.26 0.98 0.00 0.00 173.24 175.80 1nvm h PHE 60 N 2.00 1.13 -0.66 5.02 0.04 -1.90 0.34 116.94 122.92 1nvm h PHE 60 Ca -0.29 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.26 1nvm h PHE 60 Cb 1.19 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1nvm h PHE 60 CO 0.60 1.01 0.34 -0.97 -0.60 0.00 0.00 178.31 178.68 1nvm h ASN 61 N 0.93 0.84 0.00 2.17 -1.24 -1.94 -3.23 115.58 113.10 1nvm h ASN 61 Ca 0.17 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1nvm h ASN 61 Cb 0.56 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1nvm h ASN 61 CO 0.03 0.71 -1.12 -1.22 -1.29 0.00 0.00 177.43 174.54 1nvm n TYR 62 N -4.50 0.00 0.00 0.67 4.01 -1.22 -4.75 117.16 111.37 1nvm n TYR 62 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1nvm n TYR 62 Cb 0.11 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1nvm n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvm n GLY 63 N 1.49 2.80 3.78 2.72 0.00 0.12 -4.91 105.19 111.18 1nvm n GLY 63 Ca 0.00 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1nvm n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nvm s PHE 64 N -0.50 3.50 0.62 1.61 0.08 -1.01 -2.44 117.98 119.84 1nvm s PHE 64 Ca 0.00 1.72 -0.09 0.00 0.12 0.00 0.00 56.93 58.67 1nvm s PHE 64 Cb 0.00 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1nvm s PHE 64 CO 0.00 -0.19 0.99 0.20 -0.10 0.00 0.00 175.22 176.12 1nvm s GLY 65 N -1.56 1.61 0.18 4.36 0.00 -1.26 -4.75 107.32 105.90 1nvm s GLY 65 Ca 0.53 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 45.00 1nvm s GLY 65 CO 0.26 -0.05 1.41 -0.09 0.00 0.00 0.00 173.10 174.63 1nvm h ARG 66 N -0.31 0.00 -4.95 2.90 2.43 -1.34 -3.45 114.38 109.66 1nvm h ARG 66 Ca -0.45 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.38 1nvm h ARG 66 Cb 1.22 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 1nvm h ARG 66 CO 0.62 0.85 -0.65 -1.01 -1.51 0.00 0.00 179.97 178.27 1nvm s HIS 67 N -3.04 1.45 0.71 2.20 3.76 -1.26 -5.11 115.29 113.99 1nvm s HIS 67 Ca 0.00 -1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 53.79 1nvm s HIS 67 Cb 0.11 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.98 1nvm s HIS 67 CO 0.80 -0.16 1.10 0.95 -0.85 0.00 0.00 174.74 176.58 1nvm s THR 68 N -3.57 3.37 0.24 1.30 -4.23 -1.26 -4.94 115.64 106.55 1nvm s THR 68 Ca 0.29 0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 1nvm s THR 68 Cb 0.06 -3.44 0.21 0.00 1.34 0.00 0.00 72.50 70.68 1nvm s THR 68 CO 0.08 -0.57 1.84 0.44 -0.54 0.00 0.00 174.62 175.86 1nvm h ASP 69 N -0.67 0.77 -0.04 3.99 3.32 -1.97 -2.08 116.42 119.73 1nvm h ASP 69 Ca -0.45 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 1nvm h ASP 69 Cb 1.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1nvm h ASP 69 CO 0.64 0.48 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.35 1nvm h LEU 70 N 0.90 0.43 -0.71 1.55 3.38 -1.97 -0.79 115.31 118.10 1nvm h LEU 70 Ca 0.38 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1nvm h LEU 70 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1nvm h LEU 70 CO -0.20 0.66 0.32 -0.33 0.09 0.00 0.00 178.44 178.98 1nvm h GLU 71 N 0.39 1.03 -0.43 1.13 5.08 -1.78 -1.03 114.58 118.98 1nvm h GLU 71 Ca 0.06 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1nvm h GLU 71 Cb 0.60 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1nvm h GLU 71 CO 0.04 0.82 -0.04 1.88 -1.00 0.00 0.00 179.01 180.71 1nvm h TYR 72 N 1.00 0.87 -0.55 4.33 0.05 -0.93 -1.98 116.97 119.76 1nvm h TYR 72 Ca 0.24 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1nvm h TYR 72 Cb 0.14 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1nvm h TYR 72 CO 0.01 0.87 0.28 0.82 -1.05 0.00 0.00 178.16 179.09 1nvm h ILE 73 N 0.62 1.19 -0.83 -2.88 2.04 -1.02 -1.28 117.51 115.34 1nvm h ILE 73 Ca 0.12 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1nvm h ILE 73 Cb 0.55 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1nvm h ILE 73 CO 0.03 0.21 0.43 -0.08 0.00 0.00 0.00 178.15 178.73 1nvm h GLU 74 N 0.73 1.18 -0.53 2.37 4.57 -1.07 0.88 114.58 122.71 1nvm h GLU 74 Ca 0.19 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1nvm h GLU 74 Cb 0.07 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 1nvm h GLU 74 CO -0.03 0.89 0.19 0.00 -1.18 0.00 0.00 179.01 178.88 1nvm h ALA 75 N 1.23 0.70 -0.46 2.92 0.00 -0.99 -2.84 119.26 119.81 1nvm h ALA 75 Ca 0.29 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 75 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nvm h ALA 75 CO -0.04 0.34 -0.24 0.28 0.00 0.00 0.00 179.25 179.58 1nvm h VAL 76 N 0.73 1.27 -0.80 0.00 2.07 -0.92 -3.07 116.25 115.53 1nvm h VAL 76 Ca 0.17 -1.41 0.09 0.00 0.82 0.00 0.00 66.70 66.37 1nvm h VAL 76 Cb 0.25 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1nvm h VAL 76 CO -0.01 0.48 0.52 0.00 0.02 0.00 0.00 177.57 178.59 1nvm h ALA 77 N 0.87 1.71 0.00 1.67 0.00 -0.60 -1.95 119.26 120.96 1nvm h ALA 77 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nvm h ALA 77 Cb 0.82 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nvm h ALA 77 CO 0.07 0.14 0.00 0.78 0.00 0.00 0.00 179.25 180.24 1nvm h GLY 78 N 0.78 0.00 0.00 0.00 0.00 -1.41 -3.25 103.07 99.19 1nvm h GLY 78 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1nvm h GLY 78 CO -0.14 0.00 -1.03 1.18 0.00 0.00 0.00 176.54 176.55 1nvm n GLU 79 N -2.85 0.28 -4.45 4.80 -0.58 -0.74 -5.03 120.64 112.07 1nvm n GLU 79 Ca 0.01 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.50 1nvm n GLU 79 Cb 0.31 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 1nvm n GLU 79 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1nvm s ILE 80 N -2.96 2.52 0.00 -3.67 -4.36 -1.21 -4.62 121.20 106.91 1nvm s ILE 80 Ca 0.07 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.16 1nvm s ILE 80 Cb 0.15 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1nvm s ILE 80 CO 0.84 -0.34 0.00 -1.54 0.24 0.00 0.00 174.94 174.14 1nvm n SER 81 N -0.45 0.00 -0.07 4.36 3.41 -1.26 -4.97 113.62 114.64 1nvm n SER 81 Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 1nvm n SER 81 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1nvm n SER 81 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1nvm n HIS 82 N 0.00 0.00 -1.50 7.33 -0.00 -1.26 -5.02 115.22 114.76 1nvm n HIS 82 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1nvm n HIS 82 Cb 0.00 -0.46 0.06 0.00 -0.00 0.00 0.00 29.99 29.59 1nvm n HIS 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nvm s ALA 83 N -2.58 2.55 0.27 1.57 0.00 -1.26 -4.99 121.76 117.32 1nvm s ALA 83 Ca -0.23 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1nvm s ALA 83 Cb 0.05 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1nvm s ALA 83 CO 0.32 -1.37 0.48 -0.65 0.00 0.00 0.00 175.76 174.54 1nvm s GLN 84 N -4.92 3.53 -0.16 0.00 -0.21 -0.67 -4.91 119.66 112.31 1nvm s GLN 84 Ca 0.60 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 55.49 1nvm s GLN 84 Cb -0.15 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1nvm s GLN 84 CO 0.54 0.28 0.61 0.42 -2.12 0.00 0.00 175.29 175.02 1nvm s ILE 85 N -2.07 5.06 0.26 1.08 1.01 -1.26 -0.83 121.20 124.45 1nvm s ILE 85 Ca 0.40 1.18 0.08 0.00 0.00 0.00 0.00 60.65 62.30 1nvm s ILE 85 Cb -0.10 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1nvm s ILE 85 CO 0.31 0.18 0.17 0.00 0.00 0.00 0.00 174.94 175.61 1nvm s ALA 86 N 1.44 3.54 0.21 9.38 0.00 -0.07 -1.26 121.76 135.01 1nvm s ALA 86 Ca 0.30 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 1nvm s ALA 86 Cb -0.16 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1nvm s ALA 86 CO 0.12 0.23 0.28 -0.08 0.00 0.00 0.00 175.76 176.30 1nvm s THR 87 N -2.19 0.01 -0.03 0.00 -1.32 0.00 -0.68 115.64 111.43 1nvm s THR 87 Ca 0.33 -1.72 0.05 0.00 -1.21 0.00 0.00 61.69 59.15 1nvm s THR 87 Cb -0.07 -2.32 -0.01 0.00 -1.51 0.00 0.00 72.50 68.59 1nvm s THR 87 CO 0.24 -0.04 -0.20 -0.22 -2.21 0.00 0.00 174.62 172.20 1nvm s LEU 88 N -3.09 2.00 -0.07 9.08 2.96 -1.26 -1.28 118.68 127.02 1nvm s LEU 88 Ca 0.30 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1nvm s LEU 88 Cb 0.04 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1nvm s LEU 88 CO 0.10 0.21 -0.00 -0.22 -1.32 0.00 0.00 176.35 175.11 1nvm s LEU 89 N -0.23 0.65 -0.33 -0.68 2.96 -0.37 -0.82 118.68 119.87 1nvm s LEU 89 Ca 0.02 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1nvm s LEU 89 Cb -0.10 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1nvm s LEU 89 CO 0.01 -0.18 0.12 -0.76 -1.32 0.00 0.00 176.35 174.21 1nvm s LEU 90 N 1.91 4.26 0.29 -0.68 1.02 -1.26 -1.02 118.68 123.21 1nvm s LEU 90 Ca 0.04 -0.99 -0.30 0.00 0.02 0.00 0.00 54.13 52.90 1nvm s LEU 90 Cb -0.12 -1.90 -0.13 0.00 0.02 0.00 0.00 46.19 44.06 1nvm s LEU 90 CO -0.05 -0.30 1.32 -2.65 0.02 0.00 0.00 176.35 174.69 1nvm n PRO 91 N 4.86 2.01 0.00 1.29 -0.02 -1.25 -1.19 135.00 140.70 1nvm n PRO 91 Ca -0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1nvm n PRO 91 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1nvm n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvm n GLY 92 N 1.46 3.04 1.11 -1.23 0.00 -1.26 -4.82 105.19 103.48 1nvm n GLY 92 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nvm n GLY 92 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nvm n ILE 93 N -1.63 0.63 -3.31 -0.61 5.41 -0.33 -5.09 119.36 114.42 1nvm n ILE 93 Ca 0.00 0.21 -0.23 0.00 1.00 0.00 0.00 62.75 63.73 1nvm n ILE 93 Cb 0.00 -1.24 -0.00 0.00 -0.71 0.00 0.00 39.64 37.68 1nvm n ILE 93 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1nvm s GLY 94 N -3.64 1.42 0.44 7.39 0.00 -0.53 -4.85 107.32 107.56 1nvm s GLY 94 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1nvm s GLY 94 CO 0.00 -0.94 0.09 -1.35 0.00 0.00 0.00 173.10 170.90 1nvm s SER 95 N -4.10 3.21 0.32 1.64 1.04 -1.26 -4.24 113.70 110.32 1nvm s SER 95 Ca 0.42 -1.67 0.03 0.00 0.48 0.00 0.00 55.95 55.22 1nvm s SER 95 Cb -0.10 0.50 0.54 0.00 0.10 0.00 0.00 66.02 67.06 1nvm s SER 95 CO 0.36 -0.90 1.85 -0.37 0.98 0.00 0.00 173.24 175.15 1nvm h VAL 96 N 1.65 1.21 -0.50 5.02 -1.51 -1.97 -1.48 116.25 118.67 1nvm h VAL 96 Ca -0.38 -0.83 0.07 0.00 -1.23 0.00 0.00 66.70 64.33 1nvm h VAL 96 Cb 1.29 0.91 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 1nvm h VAL 96 CO 0.62 0.29 0.18 -0.74 -1.23 0.00 0.00 177.57 176.69 1nvm h HIS 97 N 0.57 0.32 -0.54 5.19 -0.00 -1.99 -0.13 115.15 118.56 1nvm h HIS 97 Ca 0.12 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1nvm h HIS 97 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 1nvm h HIS 97 CO 0.01 0.10 0.16 -0.44 -0.00 0.00 0.00 177.93 177.77 1nvm h ASP 98 N 0.36 0.75 -0.31 3.26 3.32 -1.74 -2.12 116.42 119.94 1nvm h ASP 98 Ca 0.24 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1nvm h ASP 98 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1nvm h ASP 98 CO -0.24 0.72 0.12 0.25 -1.72 0.00 0.00 179.24 178.36 1nvm h LEU 99 N 0.79 0.43 -0.51 1.55 5.85 -0.53 -0.86 115.31 122.02 1nvm h LEU 99 Ca 0.18 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1nvm h LEU 99 Cb 0.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1nvm h LEU 99 CO -0.01 0.48 0.18 0.50 -0.34 0.00 0.00 178.44 179.26 1nvm h LYS 100 N 0.34 0.35 -0.57 1.25 3.64 -0.73 0.44 116.57 121.29 1nvm h LYS 100 Ca 0.10 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1nvm h LYS 100 Cb 0.19 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1nvm h LYS 100 CO -0.01 0.23 0.16 -0.91 -2.27 0.00 0.00 179.45 176.65 1nvm h ASN 101 N 0.36 0.85 -0.71 4.20 2.35 -1.15 -1.41 115.58 120.06 1nvm h ASN 101 Ca 0.25 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1nvm h ASN 101 Cb 0.27 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1nvm h ASN 101 CO -0.26 0.84 0.40 0.00 -1.65 0.00 0.00 177.43 176.76 1nvm h ALA 102 N 1.03 0.91 -0.59 -0.83 0.00 -0.40 -1.15 119.26 118.24 1nvm h ALA 102 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nvm h ALA 102 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nvm h ALA 102 CO -0.00 0.42 0.38 -0.92 0.00 0.00 0.00 179.25 179.13 1nvm h TYR 103 N 0.98 0.75 0.00 0.00 3.20 -0.65 -1.61 116.97 119.64 1nvm h TYR 103 Ca 0.25 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 1nvm h TYR 103 Cb 0.03 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1nvm h TYR 103 CO -0.00 0.48 -0.21 1.96 -1.64 0.00 0.00 178.16 178.75 1nvm h GLN 104 N 0.80 0.00 0.00 1.82 4.20 -0.80 -1.20 115.11 119.93 1nvm h GLN 104 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1nvm h GLN 104 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1nvm h GLN 104 CO -0.05 0.21 -0.02 0.00 -0.67 0.00 0.00 178.83 178.30 1nvm n ALA 105 N -2.44 2.31 0.00 3.87 0.00 -0.48 -4.92 120.51 118.86 1nvm n ALA 105 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nvm n ALA 105 Cb 0.28 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1nvm n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 106 N 1.33 0.26 3.76 0.00 0.00 -0.45 -4.43 105.19 105.65 1nvm n GLY 106 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1nvm n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 107 N -0.65 3.53 0.00 4.61 0.00 -0.66 -4.56 121.76 124.03 1nvm s ALA 107 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1nvm s ALA 107 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1nvm s ALA 107 CO 0.00 -0.64 0.00 0.54 0.00 0.00 0.00 175.76 175.66 1nvm n ARG 108 N 1.53 2.98 -5.19 0.00 5.12 -0.39 -4.38 116.66 116.34 1nvm n ARG 108 Ca 0.03 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.63 1nvm n ARG 108 Cb 0.42 -0.76 -0.17 0.00 -1.16 0.00 0.00 32.46 30.79 1nvm n ARG 108 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1nvm s VAL 109 N -1.49 2.01 -0.07 1.55 1.01 -0.92 -0.71 120.40 121.78 1nvm s VAL 109 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1nvm s VAL 109 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1nvm s VAL 109 CO 0.00 0.55 -0.17 0.54 0.00 0.00 0.00 175.10 176.02 1nvm s VAL 110 N 0.35 1.49 -0.31 2.92 0.11 -0.52 -0.82 120.40 123.62 1nvm s VAL 110 Ca -0.19 -0.69 -0.08 0.00 -2.93 0.00 0.00 61.98 58.09 1nvm s VAL 110 Cb -0.18 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 1nvm s VAL 110 CO 0.09 0.43 0.11 -0.13 -3.33 0.00 0.00 175.10 172.27 1nvm s ARG 111 N 0.48 3.12 -0.37 1.54 3.00 -0.40 -0.77 118.95 125.55 1nvm s ARG 111 Ca -0.15 -0.85 -0.17 0.00 0.00 0.00 0.00 55.73 54.57 1nvm s ARG 111 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 34.95 31.32 1nvm s ARG 111 CO 0.05 -0.47 0.43 0.08 0.00 0.00 0.00 175.30 175.40 1nvm s VAL 112 N 1.53 5.09 -0.15 3.52 1.01 0.37 -1.23 120.40 130.54 1nvm s VAL 112 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1nvm s VAL 112 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1nvm s VAL 112 CO 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 175.10 174.92 1nvm s ALA 113 N 2.18 3.19 0.13 5.51 0.00 -0.18 -0.66 121.76 131.92 1nvm s ALA 113 Ca 0.14 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.36 1nvm s ALA 113 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1nvm s ALA 113 CO 0.13 0.26 -0.10 0.95 0.00 0.00 0.00 175.76 177.00 1nvm s THR 114 N 0.16 1.13 0.65 0.00 -4.23 -0.79 -3.94 115.64 108.62 1nvm s THR 114 Ca 0.01 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.40 1nvm s THR 114 Cb -0.13 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1nvm s THR 114 CO 0.02 -0.68 1.10 1.57 -0.54 0.00 0.00 174.62 176.08 1nvm n HIS 115 N 0.03 1.22 -0.06 3.99 -0.00 -1.26 -0.58 115.22 118.56 1nvm n HIS 115 Ca -0.12 0.42 0.19 0.00 0.46 0.00 0.00 57.72 58.67 1nvm n HIS 115 Cb 0.60 -2.18 0.62 0.00 -0.12 0.00 0.00 29.99 28.91 1nvm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nvm n THR 117 N -4.41 0.00 -1.75 0.00 -2.24 -1.26 -4.47 114.28 100.15 1nvm n THR 117 Ca 0.11 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1nvm n THR 117 Cb 0.58 0.72 0.09 0.00 -2.10 0.00 0.00 70.33 69.62 1nvm n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nvm n GLU 118 N 0.20 2.86 0.06 -0.78 -0.58 -0.12 -4.80 120.64 117.48 1nvm n GLU 118 Ca 0.16 -3.73 0.09 0.00 -0.42 0.00 0.00 57.16 53.26 1nvm n GLU 118 Cb 0.41 -2.11 0.55 0.00 -0.57 0.00 0.00 31.44 29.72 1nvm n GLU 118 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nvm h ALA 119 N 1.76 1.98 0.00 0.62 0.00 -1.78 -2.41 119.26 119.43 1nvm h ALA 119 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nvm h ALA 119 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nvm h ALA 119 CO 0.72 -0.04 0.00 0.38 0.00 0.00 0.00 179.25 180.32 1nvm h ASP 120 N 0.27 0.00 0.79 0.00 -0.00 -1.92 -1.04 116.42 114.52 1nvm h ASP 120 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1nvm h ASP 120 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.57 1nvm h ASP 120 CO -0.03 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 180.54 1nvm n VAL 121 N -2.71 0.57 1.16 4.15 0.24 -0.91 -3.22 118.33 117.61 1nvm n VAL 121 Ca -0.02 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.52 1nvm n VAL 121 Cb 0.06 -0.79 0.47 0.00 -1.47 0.00 0.00 33.84 32.11 1nvm n VAL 121 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1nvm n SER 122 N -1.63 0.42 -0.06 -1.34 3.41 -0.40 -4.54 113.62 109.48 1nvm n SER 122 Ca 0.05 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 1nvm n SER 122 Cb 0.26 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1nvm n SER 122 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1nvm h LYS 123 N 0.31 -0.21 -0.31 4.33 3.64 -1.72 -0.59 116.57 122.02 1nvm h LYS 123 Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1nvm h LYS 123 Cb 0.45 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1nvm h LYS 123 CO 0.00 -0.14 -0.13 1.96 -2.27 0.00 0.00 179.45 178.87 1nvm h GLN 124 N -0.22 0.53 -0.25 1.90 4.20 -1.87 -0.96 115.11 118.45 1nvm h GLN 124 Ca 0.15 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1nvm h GLN 124 Cb 0.44 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1nvm h GLN 124 CO -0.39 0.66 -0.18 0.45 -0.67 0.00 0.00 178.83 178.70 1nvm h HIS 125 N 0.49 0.65 -0.50 2.96 3.86 -1.73 -0.14 115.15 120.75 1nvm h HIS 125 Ca 0.09 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1nvm h HIS 125 Cb 0.52 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1nvm h HIS 125 CO 0.02 0.85 0.29 0.82 0.86 0.00 0.00 177.93 180.77 1nvm h ILE 126 N 0.27 1.16 -0.67 2.45 2.04 -0.94 -0.71 117.51 121.10 1nvm h ILE 126 Ca 0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1nvm h ILE 126 Cb 0.71 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1nvm h ILE 126 CO 0.05 0.17 0.42 -0.33 0.00 0.00 0.00 178.15 178.46 1nvm h GLU 127 N 0.66 0.89 -0.44 2.37 5.08 -1.01 -1.10 114.58 121.04 1nvm h GLU 127 Ca 0.18 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1nvm h GLU 127 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1nvm h GLU 127 CO -0.03 0.61 0.14 -0.92 -1.00 0.00 0.00 179.01 177.81 1nvm h TYR 128 N 0.90 0.71 -0.85 4.33 3.20 -0.72 -0.58 116.97 123.97 1nvm h TYR 128 Ca 0.24 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1nvm h TYR 128 Cb -0.07 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 1nvm h TYR 128 CO -0.02 0.64 0.56 0.00 -1.64 0.00 0.00 178.16 177.70 1nvm h ALA 129 N 0.99 1.10 -0.26 1.82 0.00 -0.90 -1.87 119.26 120.14 1nvm h ALA 129 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 129 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nvm h ALA 129 CO -0.00 0.44 -0.25 0.00 0.00 0.00 0.00 179.25 179.44 1nvm h ARG 130 N 1.12 0.50 0.00 0.00 2.47 -0.92 -1.88 114.38 115.67 1nvm h ARG 130 Ca 0.32 -0.19 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 1nvm h ARG 130 Cb -0.08 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1nvm h ARG 130 CO -0.09 0.71 -0.20 -0.91 0.56 0.00 0.00 179.97 180.04 1nvm h ASN 131 N 0.44 0.00 1.05 7.04 -0.26 -0.46 -1.23 115.58 122.16 1nvm h ASN 131 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1nvm h ASN 131 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1nvm h ASN 131 CO 0.05 0.20 -0.21 0.18 -1.06 0.00 0.00 177.43 176.59 1nvm n LEU 132 N -3.75 0.50 0.00 1.61 4.77 -0.76 -4.94 117.00 114.43 1nvm n LEU 132 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1nvm n LEU 132 Cb 0.31 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1nvm n LEU 132 CO 0.33 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1nvm n GLY 133 N 1.40 0.44 3.87 -0.72 0.00 -0.46 -5.04 105.19 104.67 1nvm n GLY 133 Ca 0.05 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1nvm n GLY 133 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nvm s MET 134 N -2.73 3.61 -0.32 1.61 -1.94 -0.76 -4.99 119.30 113.78 1nvm s MET 134 Ca 0.00 0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 54.46 1nvm s MET 134 Cb 0.00 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.77 1nvm s MET 134 CO 0.00 -0.56 1.21 0.34 -0.01 0.00 0.00 175.02 176.00 1nvm s ASP 135 N -4.07 6.75 -0.24 3.03 2.15 0.12 -4.65 116.67 119.74 1nvm s ASP 135 Ca 0.55 1.08 -0.06 0.00 0.43 0.00 0.00 52.55 54.55 1nvm s ASP 135 Cb -0.11 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1nvm s ASP 135 CO 0.52 -1.04 0.04 -0.89 -0.17 0.00 0.00 175.17 173.64 1nvm s THR 136 N 4.16 4.09 -0.06 1.71 2.01 -1.26 -1.44 115.64 124.84 1nvm s THR 136 Ca 0.52 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 62.32 1nvm s THR 136 Cb -0.14 -2.90 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 1nvm s THR 136 CO 0.21 0.36 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.60 1nvm s VAL 137 N 1.58 1.75 0.06 3.82 1.01 0.05 -1.11 120.40 127.57 1nvm s VAL 137 Ca 0.06 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1nvm s VAL 137 Cb -0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1nvm s VAL 137 CO 0.02 0.49 0.55 -0.83 0.00 0.00 0.00 175.10 175.33 1nvm s GLY 138 N 0.08 2.64 -0.15 4.51 0.00 -0.27 -0.48 107.32 113.65 1nvm s GLY 138 Ca -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1nvm s GLY 138 CO 0.04 0.41 0.02 -0.12 0.00 0.00 0.00 173.10 173.45 1nvm s PHE 139 N -1.11 0.90 -0.34 1.90 2.19 0.16 -0.16 117.98 121.52 1nvm s PHE 139 Ca 0.28 -0.60 -0.14 0.00 0.33 0.00 0.00 56.93 56.80 1nvm s PHE 139 Cb -0.19 -0.95 -0.02 0.00 -1.31 0.00 0.00 43.02 40.56 1nvm s PHE 139 CO 0.18 -0.51 0.31 -0.51 1.83 0.00 0.00 175.22 176.52 1nvm s LEU 140 N 1.90 4.46 0.50 6.12 1.43 -0.32 -1.88 118.68 130.89 1nvm s LEU 140 Ca 0.01 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1nvm s LEU 140 Cb -0.15 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 1nvm s LEU 140 CO -0.07 -0.29 0.89 -0.04 0.23 0.00 0.00 176.35 177.08 1nvm s MET 141 N 1.89 3.76 -1.32 1.70 -1.94 0.25 -0.44 119.30 123.19 1nvm s MET 141 Ca 0.09 0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 54.70 1nvm s MET 141 Cb -0.17 -2.24 0.01 0.00 2.01 0.00 0.00 34.83 34.44 1nvm s MET 141 CO 0.11 -0.25 0.76 -1.33 -0.01 0.00 0.00 175.02 174.30 1nvm n MET 142 N -1.84 -5.18 0.00 2.03 2.81 -1.15 -1.47 117.12 112.33 1nvm n MET 142 Ca 0.04 0.64 0.06 0.00 -1.81 0.00 0.00 57.70 56.64 1nvm n MET 142 Cb 0.54 -5.28 0.29 0.00 -0.71 0.00 0.00 33.22 28.06 1nvm n MET 142 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nvm n SER 143 N -3.04 0.00 0.08 7.83 7.64 -0.74 -1.73 113.62 123.66 1nvm n SER 143 Ca -0.26 0.49 0.13 0.00 1.01 0.00 0.00 58.87 60.23 1nvm n SER 143 Cb 0.66 -0.49 0.46 0.00 -1.01 0.00 0.00 64.21 63.83 1nvm n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nvm n HIS 144 N -1.49 0.65 0.25 1.43 1.44 -1.26 -4.19 115.22 112.05 1nvm n HIS 144 Ca 0.03 0.20 0.14 0.00 -2.01 0.00 0.00 57.72 56.09 1nvm n HIS 144 Cb 0.16 -0.83 0.48 0.00 0.12 0.00 0.00 29.99 29.92 1nvm n HIS 144 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1nvm h MET 145 N 0.00 0.00 -4.86 -1.40 2.86 -1.70 -3.45 114.93 106.38 1nvm h MET 145 Ca 0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1nvm h MET 145 Cb 0.61 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.11 1nvm h MET 145 CO 0.00 0.05 -0.71 0.96 1.06 0.00 0.00 176.91 178.27 1nvm s ILE 146 N -3.51 0.90 0.74 -1.22 -4.36 -1.26 -5.14 121.20 107.35 1nvm s ILE 146 Ca 0.03 -1.86 -0.14 0.00 -0.26 0.00 0.00 60.65 58.42 1nvm s ILE 146 Cb 0.08 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 42.23 1nvm s ILE 146 CO 0.60 -0.73 1.15 -2.84 0.24 0.00 0.00 174.94 173.36 1nvm s PRO 147 N -3.44 2.20 0.22 0.37 0.02 -1.26 -4.72 135.00 128.39 1nvm s PRO 147 Ca 0.11 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 1nvm s PRO 147 Cb 0.02 -1.86 0.34 0.00 0.02 0.00 0.00 34.50 33.01 1nvm s PRO 147 CO -0.02 -1.74 1.70 0.00 -0.33 0.00 0.00 177.00 176.61 1nvm h ALA 148 N -0.53 0.78 -0.85 -1.55 0.00 -1.92 -0.79 119.26 114.40 1nvm h ALA 148 Ca -0.46 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1nvm h ALA 148 Cb 1.27 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1nvm h ALA 148 CO 0.50 -0.31 0.56 0.93 0.00 0.00 0.00 179.25 180.93 1nvm h GLU 149 N 0.27 1.09 -0.45 0.00 3.07 -1.91 -0.85 114.58 115.80 1nvm h GLU 149 Ca 0.34 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.05 1nvm h GLU 149 Cb 0.53 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1nvm h GLU 149 CO -0.43 0.72 -0.07 0.87 -1.40 0.00 0.00 179.01 178.71 1nvm h LYS 150 N 1.13 0.84 -0.80 2.33 1.79 -1.72 -2.01 116.57 118.13 1nvm h LYS 150 Ca 0.32 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1nvm h LYS 150 Cb -0.09 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.46 1nvm h LYS 150 CO -0.08 0.93 0.50 1.25 -1.08 0.00 0.00 179.45 180.97 1nvm h LEU 151 N 0.68 0.94 -0.89 2.94 5.85 -0.88 -2.22 115.31 121.73 1nvm h LEU 151 Ca 0.12 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1nvm h LEU 151 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1nvm h LEU 151 CO 0.04 0.71 -0.13 0.00 -0.34 0.00 0.00 178.44 178.72 1nvm h ALA 152 N 1.27 1.07 -0.63 1.25 0.00 -1.02 -1.44 119.26 119.76 1nvm h ALA 152 Ca 0.29 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 152 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1nvm h ALA 152 CO -0.06 0.57 0.39 0.93 0.00 0.00 0.00 179.25 181.09 1nvm h GLU 153 N 0.61 0.76 -0.45 0.00 5.08 -0.96 -0.25 114.58 119.38 1nvm h GLU 153 Ca 0.11 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1nvm h GLU 153 Cb 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1nvm h GLU 153 CO 0.04 0.50 -0.01 1.96 -1.00 0.00 0.00 179.01 180.50 1nvm h GLN 154 N 0.78 0.74 -0.55 2.33 1.08 -0.94 -2.41 115.11 116.14 1nvm h GLN 154 Ca 0.25 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1nvm h GLN 154 Cb -0.01 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1nvm h GLN 154 CO -0.09 0.76 0.34 0.78 -0.95 0.00 0.00 178.83 179.67 1nvm h GLY 155 N 0.96 0.79 1.34 3.46 0.00 -0.85 -2.17 103.07 106.60 1nvm h GLY 155 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1nvm h GLY 155 CO 0.02 0.31 0.42 1.70 0.00 0.00 0.00 176.54 178.99 1nvm h LYS 156 N 0.74 0.88 0.02 4.80 1.63 -0.86 0.13 116.57 123.92 1nvm h LYS 156 Ca 0.20 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1nvm h LYS 156 Cb -0.04 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.40 1nvm h LYS 156 CO -0.04 0.60 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.48 1nvm h LEU 157 N 0.90 -0.03 -0.89 5.20 3.38 -0.95 0.30 115.31 123.23 1nvm h LEU 157 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1nvm h LEU 157 Cb -0.07 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1nvm h LEU 157 CO -0.05 -0.02 0.49 0.24 0.09 0.00 0.00 178.44 179.20 1nvm h MET 158 N -0.03 1.24 -0.67 1.13 2.86 -0.75 -2.10 114.93 116.61 1nvm h MET 158 Ca -0.00 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1nvm h MET 158 Cb 0.03 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.39 1nvm h MET 158 CO -0.00 0.90 0.40 1.49 1.06 0.00 0.00 176.91 180.76 1nvm h GLU 159 N 1.24 0.75 -0.01 1.72 4.81 -0.64 -2.13 114.58 120.31 1nvm h GLU 159 Ca 0.31 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1nvm h GLU 159 Cb 0.02 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1nvm h GLU 159 CO -0.05 0.49 -0.01 0.66 -0.73 0.00 0.00 179.01 179.37 1nvm h SER 160 N 0.77 0.01 1.56 1.04 4.64 -0.32 -0.35 113.55 120.91 1nvm h SER 160 Ca 0.28 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1nvm h SER 160 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nvm h SER 160 CO -0.13 0.02 0.00 1.88 -0.87 0.00 0.00 176.83 177.73 1nvm h TYR 161 N 0.01 0.00 0.00 4.77 0.05 -0.89 -3.47 116.97 117.44 1nvm h TYR 161 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvm h TYR 161 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1nvm h TYR 161 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1nvm n GLY 162 N 0.88 0.07 3.77 3.88 0.00 -0.14 -4.34 105.19 109.31 1nvm n GLY 162 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1nvm n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 163 N -1.03 3.38 -1.84 4.61 0.00 -0.85 -4.89 121.76 121.15 1nvm s ALA 163 Ca 0.00 1.15 0.15 0.00 0.00 0.00 0.00 51.96 53.26 1nvm s ALA 163 Cb 0.00 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.78 1nvm s ALA 163 CO 0.00 -0.58 0.96 0.25 0.00 0.00 0.00 175.76 176.39 1nvm n THR 164 N 0.60 0.00 -3.78 0.00 -2.24 -0.27 -4.37 114.28 104.23 1nvm n THR 164 Ca 0.01 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1nvm n THR 164 Cb 0.43 1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.84 1nvm n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvm s ILE 166 N 0.40 1.71 0.11 0.00 -1.09 -0.07 -1.12 121.20 121.15 1nvm s ILE 166 Ca -0.02 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.67 1nvm s ILE 166 Cb -0.04 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 1nvm s ILE 166 CO -0.02 0.48 0.02 -0.31 -1.23 0.00 0.00 174.94 173.89 1nvm s TYR 167 N 0.80 2.99 -0.17 3.97 1.51 0.77 -0.28 117.35 126.95 1nvm s TYR 167 Ca -0.09 -0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 1nvm s TYR 167 Cb -0.16 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1nvm s TYR 167 CO 0.01 0.49 0.03 0.00 -1.11 0.00 0.00 175.55 174.97 1nvm s MET 168 N -2.53 3.83 -0.17 -0.62 0.23 -0.70 -1.17 119.30 118.18 1nvm s MET 168 Ca 0.27 -0.40 -0.02 0.00 -1.03 0.00 0.00 55.69 54.51 1nvm s MET 168 Cb -0.11 -3.10 -0.01 0.00 -1.53 0.00 0.00 34.83 30.08 1nvm s MET 168 CO 0.19 0.29 -0.09 0.00 -2.03 0.00 0.00 175.02 173.38 1nvm s ALA 169 N 0.29 2.74 -1.28 3.16 0.00 0.41 -1.58 121.76 125.50 1nvm s ALA 169 Ca 0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1nvm s ALA 169 Cb -0.13 -1.45 0.16 0.00 0.00 0.00 0.00 23.12 21.70 1nvm s ALA 169 CO 0.01 -0.04 1.84 -3.47 0.00 0.00 0.00 175.76 174.10 1nvm n ASP 170 N 4.06 5.04 0.27 0.00 2.03 0.36 -1.78 116.55 126.52 1nvm n ASP 170 Ca -0.18 -3.08 0.11 0.00 0.52 0.00 0.00 54.79 52.16 1nvm n ASP 170 Cb 0.52 -1.50 0.74 0.00 -0.72 0.00 0.00 41.12 40.16 1nvm n ASP 170 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1nvm h SER 171 N 5.94 0.00 0.18 1.67 0.02 -1.91 0.44 113.55 119.89 1nvm h SER 171 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1nvm h SER 171 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1nvm h SER 171 CO 1.59 0.06 -0.23 0.61 -1.14 0.00 0.00 176.83 177.73 1nvm n GLY 172 N -1.15 -0.47 3.84 -3.77 0.00 -1.26 -1.17 105.19 101.21 1nvm n GLY 172 Ca -0.03 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1nvm n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nvm n GLY 173 N 1.32 -0.43 0.16 -0.02 0.00 0.14 -3.55 105.19 102.81 1nvm n GLY 173 Ca 0.13 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.39 1nvm n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm n ALA 174 N -4.57 3.41 -2.42 4.61 0.00 -1.26 -3.81 120.51 116.47 1nvm n ALA 174 Ca -0.07 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1nvm n ALA 174 Cb 0.57 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1nvm n ALA 174 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nvm s MET 175 N -2.00 3.80 0.57 0.00 -1.94 -1.26 -4.97 119.30 113.50 1nvm s MET 175 Ca 0.08 0.27 0.06 0.00 -1.71 0.00 0.00 55.69 54.39 1nvm s MET 175 Cb 0.11 -2.65 0.06 0.00 2.01 0.00 0.00 34.83 34.36 1nvm s MET 175 CO 0.45 0.31 0.49 -1.54 -0.01 0.00 0.00 175.02 174.73 1nvm s SER 176 N -2.38 4.67 0.27 3.03 1.04 -1.26 -4.95 113.70 114.12 1nvm s SER 176 Ca 0.47 -1.24 -0.03 0.00 0.48 0.00 0.00 55.95 55.64 1nvm s SER 176 Cb -0.11 0.54 0.39 0.00 0.10 0.00 0.00 66.02 66.94 1nvm s SER 176 CO 0.21 -1.22 1.89 0.24 0.98 0.00 0.00 173.24 175.34 1nvm h MET 177 N 0.59 1.17 0.00 4.02 2.86 -1.95 -1.61 114.93 120.00 1nvm h MET 177 Ca -0.35 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.15 1nvm h MET 177 Cb 1.31 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1nvm h MET 177 CO 0.54 0.77 -0.33 -0.91 1.06 0.00 0.00 176.91 178.04 1nvm h ASN 178 N 1.20 0.00 -0.40 1.22 2.35 -1.99 -2.00 115.58 115.95 1nvm h ASN 178 Ca 0.43 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.07 1nvm h ASN 178 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1nvm h ASN 178 CO -0.16 0.33 -0.13 0.44 -1.65 0.00 0.00 177.43 176.26 1nvm h ASP 179 N 0.00 0.86 -0.06 5.81 3.32 -1.69 -0.17 116.42 124.50 1nvm h ASP 179 Ca -0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1nvm h ASP 179 Cb 0.73 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1nvm h ASP 179 CO 0.04 1.00 0.02 0.40 -1.72 0.00 0.00 179.24 178.99 1nvm h ILE 180 N 0.77 1.16 -0.70 0.35 1.08 -1.25 -2.31 117.51 116.62 1nvm h ILE 180 Ca 0.12 -0.49 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1nvm h ILE 180 Cb 0.65 1.39 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 1nvm h ILE 180 CO 0.05 0.14 0.42 0.03 -0.69 0.00 0.00 178.15 178.09 1nvm h ARG 181 N -0.09 0.77 -0.60 2.37 3.08 -0.89 0.03 114.38 119.04 1nvm h ARG 181 Ca 0.02 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1nvm h ARG 181 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 1nvm h ARG 181 CO -0.00 0.51 0.34 -0.44 -1.07 0.00 0.00 179.97 179.31 1nvm h ASP 182 N 0.79 0.53 -0.20 7.04 3.32 -0.97 -0.75 116.42 126.18 1nvm h ASP 182 Ca 0.30 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.19 1nvm h ASP 182 Cb 0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nvm h ASP 182 CO -0.15 0.36 -0.56 0.03 -1.72 0.00 0.00 179.24 177.20 1nvm h ARG 183 N 0.66 0.72 -0.72 3.56 3.08 -1.05 -2.22 114.38 118.42 1nvm h ARG 183 Ca 0.25 -0.52 0.03 0.00 0.07 0.00 0.00 59.98 59.81 1nvm h ARG 183 Cb 0.10 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1nvm h ARG 183 CO -0.14 1.14 0.46 0.52 -1.07 0.00 0.00 179.97 180.87 1nvm h MET 184 N 0.44 0.87 -0.62 0.04 2.86 -0.81 -0.16 114.93 117.55 1nvm h MET 184 Ca -0.01 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 1nvm h MET 184 Cb 1.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1nvm h MET 184 CO 0.12 0.58 0.03 0.00 1.06 0.00 0.00 176.91 178.69 1nvm h ARG 185 N 0.90 1.06 -0.39 1.72 3.08 -1.10 -1.13 114.38 118.51 1nvm h ARG 185 Ca 0.28 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1nvm h ARG 185 Cb -0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1nvm h ARG 185 CO -0.10 1.02 -0.04 0.00 -1.07 0.00 0.00 179.97 179.77 1nvm h ALA 186 N 1.04 0.53 -0.25 0.04 0.00 -1.04 -1.53 119.26 118.05 1nvm h ALA 186 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nvm h ALA 186 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nvm h ALA 186 CO 0.03 0.35 0.16 0.74 0.00 0.00 0.00 179.25 180.52 1nvm h PHE 187 N 0.53 0.31 0.00 0.00 0.04 -0.77 -2.87 116.94 114.18 1nvm h PHE 187 Ca 0.10 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1nvm h PHE 187 Cb 0.54 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1nvm h PHE 187 CO 0.04 0.22 -0.18 0.87 -0.60 0.00 0.00 178.31 178.66 1nvm h LYS 188 N 0.32 0.00 -0.05 1.51 1.79 -1.06 -0.04 116.57 119.05 1nvm h LYS 188 Ca 0.09 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 1nvm h LYS 188 Cb -0.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1nvm h LYS 188 CO -0.02 0.18 -0.56 0.00 -1.08 0.00 0.00 179.45 177.97 1nvm h ALA 189 N 1.82 0.97 0.00 3.86 0.00 -1.07 -3.38 119.26 121.47 1nvm h ALA 189 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1nvm h ALA 189 Cb 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nvm h ALA 189 CO 0.02 0.70 -1.35 1.33 0.00 0.00 0.00 179.25 179.96 1nvm n VAL 190 N -3.89 0.07 -2.05 0.00 0.24 -0.97 -5.03 118.33 106.68 1nvm n VAL 190 Ca -0.02 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.79 1nvm n VAL 190 Cb 0.58 0.16 -0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1nvm n VAL 190 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1nvm s LEU 191 N -3.65 3.39 0.66 1.34 1.43 -0.06 -5.00 118.68 116.79 1nvm s LEU 191 Ca -0.03 1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 54.43 1nvm s LEU 191 Cb 0.04 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 1nvm s LEU 191 CO 0.29 -0.85 1.28 0.29 0.23 0.00 0.00 176.35 177.60 1nvm n LYS 192 N -2.28 1.05 0.01 1.70 5.02 -1.26 -4.89 118.16 117.51 1nvm n LYS 192 Ca 0.07 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.88 1nvm n LYS 192 Cb 0.54 -2.52 0.53 0.00 -0.02 0.00 0.00 35.03 33.56 1nvm n LYS 192 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1nvm h PRO 193 N 0.44 0.31 0.00 1.97 0.11 -1.94 -1.90 132.00 130.98 1nvm h PRO 193 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1nvm h PRO 193 Cb 1.34 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1nvm h PRO 193 CO 0.52 0.20 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 1nvm h GLU 194 N 0.32 0.00 -6.49 1.05 3.07 -1.98 -3.46 114.58 107.09 1nvm h GLU 194 Ca 0.19 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.52 1nvm h GLU 194 Cb 0.36 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1nvm h GLU 194 CO -0.04 0.00 0.74 0.99 -1.40 0.00 0.00 179.01 179.30 1nvm s THR 195 N -3.24 3.51 0.48 1.13 2.01 -0.72 -5.00 115.64 113.81 1nvm s THR 195 Ca 0.07 1.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.91 1nvm s THR 195 Cb 0.09 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1nvm s THR 195 CO 0.60 0.06 1.00 -1.10 -0.69 0.00 0.00 174.62 174.48 1nvm s GLN 196 N 1.50 3.95 0.02 4.92 -1.52 -0.01 -4.92 119.66 123.60 1nvm s GLN 196 Ca 0.64 1.19 0.08 0.00 -1.95 0.00 0.00 55.36 55.32 1nvm s GLN 196 Cb -0.34 -2.13 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 1nvm s GLN 196 CO 0.29 -0.28 -0.23 0.08 -0.25 0.00 0.00 175.29 174.89 1nvm s VAL 197 N -2.20 1.88 0.07 1.09 1.01 -1.26 -0.89 120.40 120.10 1nvm s VAL 197 Ca 0.64 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1nvm s VAL 197 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1nvm s VAL 197 CO 0.20 0.39 -0.12 -0.83 0.00 0.00 0.00 175.10 174.74 1nvm s GLY 198 N -0.92 0.79 -0.08 4.51 0.00 0.62 -0.67 107.32 111.56 1nvm s GLY 198 Ca 0.09 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.85 1nvm s GLY 198 CO 0.01 -1.03 -0.12 -0.29 0.00 0.00 0.00 173.10 171.67 1nvm s MET 199 N -1.89 2.85 -0.41 2.90 1.75 -0.32 -1.72 119.30 122.47 1nvm s MET 199 Ca -0.02 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.77 1nvm s MET 199 Cb -0.09 -2.51 0.14 0.00 2.84 0.00 0.00 34.83 35.21 1nvm s MET 199 CO 0.02 0.50 0.22 -1.58 -0.65 0.00 0.00 175.02 173.52 1nvm s HIS 200 N -0.38 1.58 0.32 4.11 2.46 -0.61 -1.16 115.29 121.60 1nvm s HIS 200 Ca 0.04 -2.15 -0.06 0.00 0.47 0.00 0.00 55.06 53.36 1nvm s HIS 200 Cb -0.12 -1.58 -0.05 0.00 -0.13 0.00 0.00 32.58 30.69 1nvm s HIS 200 CO 0.02 -0.80 0.60 0.00 -2.47 0.00 0.00 174.74 172.10 1nvm s ALA 201 N 0.63 3.56 0.25 1.58 0.00 -1.26 -0.49 121.76 126.02 1nvm s ALA 201 Ca 0.17 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.76 1nvm s ALA 201 Cb -0.24 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1nvm s ALA 201 CO -0.00 0.19 -0.10 -1.01 0.00 0.00 0.00 175.76 174.83 1nvm s HIS 202 N -2.15 2.52 -0.23 0.00 3.76 -1.23 -2.94 115.29 115.02 1nvm s HIS 202 Ca 0.46 -0.27 0.14 0.00 -0.15 0.00 0.00 55.06 55.24 1nvm s HIS 202 Cb -0.11 -1.14 0.72 0.00 1.11 0.00 0.00 32.58 33.16 1nvm s HIS 202 CO 0.30 0.62 1.65 1.58 -0.85 0.00 0.00 174.74 178.04 1nvm n HIS 203 N -0.52 1.75 0.26 1.40 -0.00 0.31 -3.79 115.22 114.64 1nvm n HIS 203 Ca -0.07 -0.85 0.10 0.00 0.46 0.00 0.00 57.72 57.35 1nvm n HIS 203 Cb 0.58 -0.47 0.70 0.00 -0.12 0.00 0.00 29.99 30.68 1nvm n HIS 203 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1nvm h ASN 204 N 3.08 0.00 -0.56 0.26 2.35 -1.80 0.26 115.58 119.17 1nvm h ASN 204 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1nvm h ASN 204 Cb 1.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.22 1nvm h ASN 204 CO 0.44 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.40 1nvm n LEU 205 N -4.37 4.54 -0.87 1.61 4.77 -1.25 -4.04 117.00 117.38 1nvm n LEU 205 Ca -0.02 -2.52 -0.11 0.00 -0.03 0.00 0.00 56.01 53.33 1nvm n LEU 205 Cb 0.11 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1nvm n LEU 205 CO 0.33 0.77 -0.11 -1.54 -1.33 0.00 0.00 177.39 175.51 1nvm n SER 206 N 0.80 -4.36 -0.90 -1.43 3.41 0.08 -4.92 113.62 106.31 1nvm n SER 206 Ca 0.24 0.28 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1nvm n SER 206 Cb 0.87 -2.86 0.25 0.00 -0.26 0.00 0.00 64.21 62.21 1nvm n SER 206 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nvm n LEU 207 N -1.29 3.83 -0.08 1.04 4.77 -1.26 -4.67 117.00 119.34 1nvm n LEU 207 Ca -0.11 -2.88 -0.08 0.00 -0.03 0.00 0.00 56.01 52.91 1nvm n LEU 207 Cb 0.37 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1nvm n LEU 207 CO 0.17 0.68 0.92 1.23 -1.33 0.00 0.00 177.39 179.06 1nvm h GLY 208 N 1.92 0.35 0.75 -0.72 0.00 -1.83 0.20 103.07 103.74 1nvm h GLY 208 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1nvm h GLY 208 CO 0.20 0.02 -0.45 -2.08 0.00 0.00 0.00 176.54 174.23 1nvm h VAL 209 N 0.21 1.42 -0.58 4.60 2.07 -1.92 -2.94 116.25 119.11 1nvm h VAL 209 Ca 0.13 -1.88 0.06 0.00 0.82 0.00 0.00 66.70 65.82 1nvm h VAL 209 Cb 0.11 2.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1nvm h VAL 209 CO -0.14 0.55 0.29 0.00 0.02 0.00 0.00 177.57 178.29 1nvm h ALA 210 N 0.39 0.75 -0.20 1.67 0.00 -1.82 0.70 119.26 120.75 1nvm h ALA 210 Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1nvm h ALA 210 Cb 1.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1nvm h ALA 210 CO 0.09 -0.06 -0.31 -0.91 0.00 0.00 0.00 179.25 178.06 1nvm h ASN 211 N 0.55 0.42 -0.56 0.00 2.35 -0.69 -1.61 115.58 116.03 1nvm h ASN 211 Ca 0.26 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1nvm h ASN 211 Cb 0.19 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1nvm h ASN 211 CO -0.19 0.71 -0.09 0.28 -1.65 0.00 0.00 177.43 176.50 1nvm h SER 212 N 0.36 1.05 -0.40 5.81 0.02 -1.21 -0.77 113.55 118.41 1nvm h SER 212 Ca 0.05 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1nvm h SER 212 Cb 0.73 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1nvm h SER 212 CO 0.06 1.14 0.18 0.40 -1.14 0.00 0.00 176.83 177.47 1nvm h ILE 213 N 0.93 1.18 -0.45 3.27 1.08 -0.58 -1.97 117.51 120.98 1nvm h ILE 213 Ca 0.15 -0.53 -0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1nvm h ILE 213 Cb 0.66 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1nvm h ILE 213 CO 0.05 0.20 -0.13 0.58 -0.69 0.00 0.00 178.15 178.15 1nvm h VAL 214 N 0.50 1.26 -0.66 1.67 2.07 -1.23 -0.95 116.25 118.92 1nvm h VAL 214 Ca 0.14 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1nvm h VAL 214 Cb 0.14 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1nvm h VAL 214 CO -0.02 0.42 0.43 0.00 0.02 0.00 0.00 177.57 178.42 1nvm h ALA 215 N 1.11 0.84 -0.61 1.67 0.00 -0.91 -1.14 119.26 120.22 1nvm h ALA 215 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 215 Cb 0.64 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nvm h ALA 215 CO 0.04 0.28 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 1nvm h VAL 216 N 0.90 1.27 0.00 0.00 2.07 -0.91 -0.82 116.25 118.75 1nvm h VAL 216 Ca 0.24 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1nvm h VAL 216 Cb -0.08 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1nvm h VAL 216 CO -0.05 0.42 -0.02 -0.33 0.02 0.00 0.00 177.57 177.61 1nvm h GLU 217 N 0.98 0.00 -0.23 1.57 5.08 -0.54 -0.87 114.58 120.56 1nvm h GLU 217 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nvm h GLU 217 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1nvm h GLU 217 CO 0.03 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 1nvm n GLU 218 N -4.31 1.75 -0.05 2.33 -0.58 -0.49 -4.60 120.64 114.68 1nvm n GLU 218 Ca -0.03 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 1nvm n GLU 218 Cb 0.11 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1nvm n GLU 218 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nvm n GLY 219 N 1.10 0.97 3.77 0.62 0.00 -0.33 -4.83 105.19 106.49 1nvm n GLY 219 Ca 0.14 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1nvm n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm n ASP 221 N -0.20 1.24 -4.31 0.00 9.92 0.15 -4.63 116.55 118.72 1nvm n ASP 221 Ca 0.06 0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 54.04 1nvm n ASP 221 Cb 0.48 0.01 -0.15 0.00 -0.64 0.00 0.00 41.12 40.82 1nvm n ASP 221 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1nvm s ARG 222 N -2.53 1.88 -0.12 -1.24 0.52 -0.76 -1.72 118.95 114.99 1nvm s ARG 222 Ca -0.22 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1nvm s ARG 222 Cb 0.08 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.64 1nvm s ARG 222 CO 0.73 0.51 -0.15 0.08 0.02 0.00 0.00 175.30 176.49 1nvm s VAL 223 N -0.68 1.54 0.01 3.52 1.01 -0.46 -1.17 120.40 124.16 1nvm s VAL 223 Ca 0.10 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1nvm s VAL 223 Cb -0.10 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1nvm s VAL 223 CO 0.00 0.45 0.51 -1.81 0.00 0.00 0.00 175.10 174.25 1nvm s ASP 224 N 1.12 6.91 0.28 3.32 1.11 -0.31 -1.15 116.67 127.96 1nvm s ASP 224 Ca -0.04 1.09 -0.17 0.00 0.18 0.00 0.00 52.55 53.61 1nvm s ASP 224 Cb -0.14 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.54 1nvm s ASP 224 CO -0.04 0.22 0.64 0.00 1.18 0.00 0.00 175.17 177.17 1nvm s ALA 225 N -0.66 -0.81 0.06 5.23 0.00 -0.73 -4.51 121.76 120.34 1nvm s ALA 225 Ca 0.27 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1nvm s ALA 225 Cb -0.18 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1nvm s ALA 225 CO 0.16 -0.97 0.22 -1.54 0.00 0.00 0.00 175.76 173.63 1nvm s SER 226 N -2.97 0.02 0.11 0.00 1.04 -0.43 -1.01 113.70 110.47 1nvm s SER 226 Ca 0.16 -0.44 -0.31 0.00 0.48 0.00 0.00 55.95 55.84 1nvm s SER 226 Cb -0.04 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 1nvm s SER 226 CO 0.08 -0.65 1.50 -0.76 0.98 0.00 0.00 173.24 174.40 1nvm s LEU 227 N -2.40 4.36 -0.46 2.42 1.43 -1.26 -0.55 118.68 122.22 1nvm s LEU 227 Ca -0.01 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1nvm s LEU 227 Cb 0.01 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1nvm s LEU 227 CO -0.07 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 175.75 1nvm n ALA 228 N 4.38 -0.07 -1.00 4.21 0.00 -1.26 -1.36 120.51 125.42 1nvm n ALA 228 Ca 0.13 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1nvm n ALA 228 Cb 0.41 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1nvm n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 229 N 0.25 0.31 3.65 0.00 0.00 -0.21 -4.90 105.19 104.29 1nvm n GLY 229 Ca -0.04 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.35 1nvm n GLY 229 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nvm n MET 230 N -1.42 0.37 0.00 1.61 0.00 -0.46 -1.00 117.12 116.23 1nvm n MET 230 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1nvm n MET 230 Cb 0.20 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.70 1nvm n MET 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nvm n GLY 231 N 4.70 0.10 3.74 -5.12 0.00 -1.26 -3.27 105.19 104.09 1nvm n GLY 231 Ca 0.34 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1nvm n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 232 N -2.00 2.29 0.00 4.61 0.00 -1.22 -4.04 121.76 121.40 1nvm s ALA 232 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1nvm s ALA 232 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1nvm s ALA 232 CO 0.00 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1nvm n GLY 233 N 0.02 1.57 0.00 0.00 0.00 -1.16 -0.76 105.19 104.86 1nvm n GLY 233 Ca 0.12 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1nvm n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm n ALA 234 N 8.92 2.38 0.00 4.61 0.00 -1.26 -4.50 120.51 130.66 1nvm n ALA 234 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1nvm n ALA 234 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1nvm n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 235 N 0.46 0.47 3.44 0.00 0.00 0.06 -4.00 105.19 105.62 1nvm n GLY 235 Ca 0.09 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1nvm n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nvm n ASN 236 N -0.07 0.22 -4.71 1.61 4.13 -0.17 -0.53 115.26 115.74 1nvm n ASN 236 Ca 0.00 -1.50 -0.43 0.00 1.68 0.00 0.00 54.58 54.33 1nvm n ASN 236 Cb 0.00 -0.87 -0.03 0.00 -1.54 0.00 0.00 39.78 37.34 1nvm n ASN 236 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nvm n ALA 237 N -3.67 2.40 -2.25 5.41 0.00 -1.15 -4.44 120.51 116.81 1nvm n ALA 237 Ca -0.19 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 1nvm n ALA 237 Cb 0.52 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 1nvm n ALA 237 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nvm s PRO 238 N 0.89 4.03 0.11 0.00 0.04 -1.26 -1.31 135.00 137.50 1nvm s PRO 238 Ca 0.75 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1nvm s PRO 238 Cb -0.55 -3.91 -0.08 0.00 0.04 0.00 0.00 34.50 29.99 1nvm s PRO 238 CO 0.36 -1.00 1.70 1.25 0.04 0.00 0.00 177.00 179.35 1nvm h LEU 239 N 10.65 -0.27 -1.85 -3.56 5.85 -1.13 -0.19 115.31 124.82 1nvm h LEU 239 Ca -0.31 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1nvm h LEU 239 Cb 1.13 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1nvm h LEU 239 CO 0.99 -0.13 0.11 1.05 -0.34 0.00 0.00 178.44 180.12 1nvm h GLU 240 N -0.14 0.20 -0.06 1.25 9.09 -1.88 -0.29 114.58 122.76 1nvm h GLU 240 Ca 0.05 -0.01 -0.16 0.00 0.05 0.00 0.00 59.36 59.28 1nvm h GLU 240 Cb 0.20 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.27 1nvm h GLU 240 CO -0.11 0.13 -0.59 0.28 0.05 0.00 0.00 179.01 178.77 1nvm h VAL 241 N 0.21 1.38 -0.86 -1.06 2.07 -1.81 -1.31 116.25 114.87 1nvm h VAL 241 Ca 0.06 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.62 1nvm h VAL 241 Cb 0.01 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1nvm h VAL 241 CO -0.01 0.58 0.51 0.15 0.02 0.00 0.00 177.57 178.82 1nvm h PHE 242 N 0.07 1.14 -0.43 1.57 3.57 -0.63 -1.53 116.94 120.70 1nvm h PHE 242 Ca -0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 1nvm h PHE 242 Cb 1.26 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1nvm h PHE 242 CO 0.12 0.76 -0.23 0.82 -2.23 0.00 0.00 178.31 177.56 1nvm h ILE 243 N 1.18 1.27 -0.69 1.41 1.08 -1.08 0.09 117.51 120.77 1nvm h ILE 243 Ca 0.31 -1.39 0.05 0.00 -0.39 0.00 0.00 64.86 63.44 1nvm h ILE 243 Cb -0.04 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 1nvm h ILE 243 CO -0.06 0.47 0.41 0.00 -0.69 0.00 0.00 178.15 178.29 1nvm h ALA 244 N 0.83 0.92 -0.07 1.87 0.00 -0.80 -0.02 119.26 121.99 1nvm h ALA 244 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nvm h ALA 244 Cb 0.80 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nvm h ALA 244 CO 0.07 0.14 0.00 0.28 0.00 0.00 0.00 179.25 179.74 1nvm h VAL 245 N 0.78 1.25 -0.74 0.00 2.07 -1.02 -1.74 116.25 116.85 1nvm h VAL 245 Ca 0.29 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1nvm h VAL 245 Cb 0.11 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 1nvm h VAL 245 CO -0.15 0.21 0.37 0.00 0.02 0.00 0.00 177.57 178.03 1nvm h ALA 246 N 0.73 1.04 -0.51 1.67 0.00 -0.72 -0.39 119.26 121.07 1nvm h ALA 246 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nvm h ALA 246 Cb 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nvm h ALA 246 CO 0.00 -0.05 0.23 1.49 0.00 0.00 0.00 179.25 180.93 1nvm h GLU 247 N 0.61 0.75 -0.03 0.00 4.81 -0.90 -0.68 114.58 119.15 1nvm h GLU 247 Ca 0.37 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1nvm h GLU 247 Cb 0.42 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1nvm h GLU 247 CO -0.29 0.64 -0.24 0.00 -0.73 0.00 0.00 179.01 178.39 1nvm h ARG 248 N 0.69 0.05 -0.00 1.92 2.47 -0.34 -1.84 114.38 117.32 1nvm h ARG 248 Ca 0.17 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1nvm h ARG 248 Cb 0.15 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1nvm h ARG 248 CO -0.02 0.29 -0.04 1.28 0.56 0.00 0.00 179.97 182.04 1nvm n LEU 249 N -4.23 0.06 -0.09 3.04 4.77 -0.26 -4.93 117.00 115.36 1nvm n LEU 249 Ca -0.02 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1nvm n LEU 249 Cb 0.31 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1nvm n LEU 249 CO 0.38 0.01 -0.01 0.61 -1.33 0.00 0.00 177.39 177.05 1nvm n GLY 250 N 1.42 0.41 3.81 -0.72 0.00 -0.69 -5.04 105.19 104.39 1nvm n GLY 250 Ca 0.09 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1nvm n GLY 250 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nvm s TRP 251 N -2.04 3.37 -1.17 1.61 0.52 -0.34 -4.68 118.94 116.22 1nvm s TRP 251 Ca 0.00 1.63 -0.16 0.00 0.02 0.00 0.00 56.10 57.59 1nvm s TRP 251 Cb 0.00 -2.86 0.14 0.00 -1.15 0.00 0.00 33.47 29.61 1nvm s TRP 251 CO 0.00 -0.05 1.44 1.21 0.02 0.00 0.00 176.95 179.56 1nvm s ASN 252 N -2.09 6.94 0.20 2.95 2.47 -0.67 -4.57 114.94 120.17 1nvm s ASN 252 Ca 0.60 -2.68 0.23 0.00 0.42 0.00 0.00 52.86 51.43 1nvm s ASN 252 Cb -0.11 -2.44 0.19 0.00 -1.45 0.00 0.00 41.25 37.45 1nvm s ASN 252 CO 0.15 -0.90 1.23 1.12 -3.72 0.00 0.00 177.10 174.98 1nvm h HIS 253 N 7.61 0.00 -1.19 0.43 2.07 -1.89 -0.45 115.15 121.73 1nvm h HIS 253 Ca 0.31 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.49 1nvm h HIS 253 Cb 0.90 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.78 1nvm h HIS 253 CO 1.18 0.00 -0.34 0.41 -3.07 0.00 0.00 177.93 176.11 1nvm n GLY 254 N 1.23 1.17 3.70 6.13 0.00 -1.26 -4.67 105.19 111.50 1nvm n GLY 254 Ca 0.02 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1nvm n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nvm s THR 255 N -2.67 1.42 -0.46 2.61 -4.23 -1.26 -4.77 115.64 106.28 1nvm s THR 255 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1nvm s THR 255 Cb 0.00 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.48 1nvm s THR 255 CO 0.00 0.00 0.34 -0.62 -0.54 0.00 0.00 174.62 173.80 1nvm s ASP 256 N -3.81 5.82 0.15 3.99 -1.08 -0.64 -4.98 116.67 116.12 1nvm s ASP 256 Ca 0.16 -1.65 -0.19 0.00 -0.52 0.00 0.00 52.55 50.35 1nvm s ASP 256 Cb 0.05 -2.06 0.04 0.00 -1.46 0.00 0.00 42.92 39.49 1nvm s ASP 256 CO 0.08 -0.65 1.67 0.25 0.52 0.00 0.00 175.17 177.04 1nvm h LEU 257 N 8.55 -0.39 -0.73 -1.34 5.85 -1.96 -2.54 115.31 122.75 1nvm h LEU 257 Ca -0.24 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1nvm h LEU 257 Cb 1.09 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 1nvm h LEU 257 CO 0.85 -0.14 0.37 0.22 -0.34 0.00 0.00 178.44 179.40 1nvm h TYR 258 N -0.06 0.67 -0.48 1.25 3.20 -1.99 -0.41 116.97 119.14 1nvm h TYR 258 Ca 0.15 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1nvm h TYR 258 Cb 0.28 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1nvm h TYR 258 CO -0.31 0.25 0.29 1.15 -1.64 0.00 0.00 178.16 177.90 1nvm h THR 259 N 0.63 1.07 -0.31 1.81 2.02 -1.89 -2.10 112.91 114.13 1nvm h THR 259 Ca 0.36 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1nvm h THR 259 Cb 0.37 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1nvm h THR 259 CO -0.26 0.11 0.10 -0.07 0.37 0.00 0.00 175.52 175.77 1nvm h LEU 260 N 0.59 0.44 -0.82 2.58 3.38 -0.98 -1.24 115.31 119.27 1nvm h LEU 260 Ca 0.19 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nvm h LEU 260 Cb -0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1nvm h LEU 260 CO -0.08 0.52 0.52 0.24 0.09 0.00 0.00 178.44 179.74 1nvm h MET 261 N 0.34 0.98 -0.31 1.13 2.86 -0.92 -0.38 114.93 118.63 1nvm h MET 261 Ca 0.10 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1nvm h MET 261 Cb 0.23 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1nvm h MET 261 CO -0.00 0.65 -0.26 -0.44 1.06 0.00 0.00 176.91 177.91 1nvm h ASP 262 N 1.01 0.77 -0.81 1.22 3.32 -1.34 -2.98 116.42 117.60 1nvm h ASP 262 Ca 0.33 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1nvm h ASP 262 Cb 0.03 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1nvm h ASP 262 CO -0.12 1.06 0.42 0.00 -1.72 0.00 0.00 179.24 178.89 1nvm h ALA 263 N 0.73 1.20 -0.63 3.45 0.00 -0.93 0.14 119.26 123.22 1nvm h ALA 263 Ca 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nvm h ALA 263 Cb 0.83 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1nvm h ALA 263 CO 0.07 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.36 1nvm h ALA 264 N 1.31 0.80 0.00 0.00 0.00 -1.00 -0.83 119.26 119.54 1nvm h ALA 264 Ca 0.29 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 264 Cb 0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1nvm h ALA 264 CO -0.04 0.23 -1.87 -0.25 0.00 0.00 0.00 179.25 177.32 1nvm n ASP 265 N -4.64 0.44 0.02 0.00 9.92 -1.07 -0.47 116.55 120.74 1nvm n ASP 265 Ca 0.05 0.20 0.01 0.00 -0.53 0.00 0.00 54.79 54.52 1nvm n ASP 265 Cb 0.02 0.70 -0.09 0.00 -0.64 0.00 0.00 41.12 41.10 1nvm n ASP 265 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nvm n ASP 266 N -2.76 0.63 -0.06 -2.24 8.00 0.46 -4.33 116.55 116.25 1nvm n ASP 266 Ca -0.17 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 1nvm n ASP 266 Cb 0.93 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 42.54 1nvm n ASP 266 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1nvm n ILE 267 N -2.76 1.15 -0.06 0.53 5.41 -0.43 -4.81 119.36 118.40 1nvm n ILE 267 Ca -0.11 -0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.50 1nvm n ILE 267 Cb 0.81 -1.88 -0.12 0.00 -0.71 0.00 0.00 39.64 37.74 1nvm n ILE 267 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1nvm h VAL 268 N -0.60 1.69 -0.81 1.39 2.07 -1.26 -3.35 116.25 115.37 1nvm h VAL 268 Ca -0.23 -2.14 0.10 0.00 0.82 0.00 0.00 66.70 65.26 1nvm h VAL 268 Cb 1.01 3.12 -0.06 0.00 -1.52 0.00 0.00 31.29 33.85 1nvm h VAL 268 CO -0.14 0.55 0.53 -0.09 0.02 0.00 0.00 177.57 178.44 1nvm h ARG 269 N -0.93 0.72 0.00 1.57 2.43 -0.98 0.14 114.38 117.33 1nvm h ARG 269 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1nvm h ARG 269 Cb 0.90 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1nvm h ARG 269 CO 0.00 0.47 0.00 -1.35 -1.51 0.00 0.00 179.97 177.59 1nvm h PRO 270 N 0.74 0.00 0.00 0.20 0.11 -1.75 -1.83 132.00 129.46 1nvm h PRO 270 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1nvm h PRO 270 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1nvm h PRO 270 CO -0.15 0.00 -0.11 1.28 -0.21 0.00 0.00 178.00 178.81 1nvm n LEU 271 N -2.32 0.72 -4.77 2.35 4.77 0.48 -4.85 117.00 113.39 1nvm n LEU 271 Ca 0.01 0.50 -0.39 0.00 -0.03 0.00 0.00 56.01 56.10 1nvm n LEU 271 Cb 0.19 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1nvm n LEU 271 CO 0.18 -0.14 0.87 -1.10 -1.33 0.00 0.00 177.39 175.87 1nvm s GLN 272 N -3.10 4.29 -0.09 3.23 -0.21 -0.69 -4.91 119.66 118.18 1nvm s GLN 272 Ca 0.10 1.95 -0.10 0.00 0.02 0.00 0.00 55.36 57.33 1nvm s GLN 272 Cb 0.13 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.17 1nvm s GLN 272 CO 0.61 -0.15 -0.21 -0.40 -2.12 0.00 0.00 175.29 173.02 1nvm n ASP 273 N 0.57 1.52 -4.62 5.90 5.75 -1.26 -4.91 116.55 119.50 1nvm n ASP 273 Ca 0.02 0.24 -0.41 0.00 -0.01 0.00 0.00 54.79 54.63 1nvm n ASP 273 Cb 0.45 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1nvm n ASP 273 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1nvm s ARG 274 N -2.50 4.05 0.29 0.11 3.00 -1.26 -4.97 118.95 117.69 1nvm s ARG 274 Ca -0.19 0.60 -0.30 0.00 -1.00 0.00 0.00 55.73 54.84 1nvm s ARG 274 Cb 0.04 -3.68 -0.11 0.00 0.00 0.00 0.00 34.95 31.20 1nvm s ARG 274 CO 0.27 -0.52 1.52 -1.25 0.00 0.00 0.00 175.30 175.31 1nvm s PRO 275 N 2.70 4.17 -0.76 5.12 0.04 -1.26 -4.89 135.00 140.12 1nvm s PRO 275 Ca 0.29 2.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.58 1nvm s PRO 275 Cb -0.15 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.41 1nvm s PRO 275 CO 0.10 -0.54 1.13 0.08 0.04 0.00 0.00 177.00 177.81 1nvm s VAL 276 N -0.22 4.18 0.25 -0.36 1.01 -1.26 -4.93 120.40 119.07 1nvm s VAL 276 Ca 0.60 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1nvm s VAL 276 Cb -0.46 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.14 1nvm s VAL 276 CO 0.49 -1.63 0.63 0.00 0.00 0.00 0.00 175.10 174.60 1nvm s ARG 277 N 4.41 1.65 -0.25 2.72 1.70 -1.26 -4.87 118.95 123.05 1nvm s ARG 277 Ca 0.30 -1.00 -0.23 0.00 -0.47 0.00 0.00 55.73 54.33 1nvm s ARG 277 Cb -0.11 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 1nvm s ARG 277 CO 0.06 -0.73 0.75 0.08 -1.08 0.00 0.00 175.30 174.38 1nvm s VAL 278 N -3.93 4.89 0.20 4.99 1.01 -1.26 -4.28 120.40 122.03 1nvm s VAL 278 Ca 0.13 1.37 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 1nvm s VAL 278 Cb -0.04 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1nvm s VAL 278 CO 0.05 -0.05 0.27 -0.90 0.00 0.00 0.00 175.10 174.47 1nvm n ASP 279 N 5.91 -0.75 -0.23 3.32 5.68 -1.26 -4.92 116.55 124.30 1nvm n ASP 279 Ca 0.03 -2.12 0.03 0.00 -0.50 0.00 0.00 54.79 52.23 1nvm n ASP 279 Cb 0.48 1.42 0.13 0.00 -1.14 0.00 0.00 41.12 42.01 1nvm n ASP 279 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1nvm h ARG 280 N 0.00 0.13 -0.18 0.11 2.43 -1.98 0.34 114.38 115.23 1nvm h ARG 280 Ca -0.15 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1nvm h ARG 280 Cb 0.69 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1nvm h ARG 280 CO 0.21 0.08 -0.27 0.93 -1.51 0.00 0.00 179.97 179.41 1nvm h GLU 281 N 0.13 0.50 0.01 0.20 3.07 -1.96 -1.61 114.58 114.92 1nvm h GLU 281 Ca 0.37 -0.30 -0.20 0.00 -0.50 0.00 0.00 59.36 58.73 1nvm h GLU 281 Cb 0.62 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1nvm h GLU 281 CO -0.58 0.90 -0.90 1.79 -1.40 0.00 0.00 179.01 178.82 1nvm h THR 282 N 0.15 1.52 -0.84 1.13 1.35 -1.73 -2.33 112.91 112.16 1nvm h THR 282 Ca 0.02 -2.73 0.01 0.00 -0.55 0.00 0.00 66.41 63.16 1nvm h THR 282 Cb 0.85 2.53 -0.04 0.00 -1.73 0.00 0.00 68.15 69.76 1nvm h THR 282 CO 0.06 0.79 0.56 0.25 -0.25 0.00 0.00 175.52 176.93 1nvm h LEU 283 N 0.08 0.96 -1.29 3.87 5.85 -0.40 -2.08 115.31 122.30 1nvm h LEU 283 Ca -0.04 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1nvm h LEU 283 Cb 1.54 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1nvm h LEU 283 CO 0.13 0.70 0.51 1.23 -0.34 0.00 0.00 178.44 180.67 1nvm h GLY 284 N 1.14 1.08 1.00 3.75 0.00 -0.76 -0.22 103.07 109.06 1nvm h GLY 284 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1nvm h GLY 284 CO -0.07 0.26 0.17 1.41 0.00 0.00 0.00 176.54 178.31 1nvm h LEU 285 N 0.86 0.30 -0.42 3.11 3.38 -1.01 -0.28 115.31 121.26 1nvm h LEU 285 Ca 0.33 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 1nvm h LEU 285 Cb 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nvm h LEU 285 CO -0.11 0.23 -0.62 1.23 0.09 0.00 0.00 178.44 179.26 1nvm h GLY 286 N 0.35 0.66 1.00 0.83 0.00 -1.12 0.26 103.07 105.04 1nvm h GLY 286 Ca 0.09 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 1nvm h GLY 286 CO -0.02 0.73 -0.08 -1.82 0.00 0.00 0.00 176.54 175.35 1nvm h TYR 287 N 0.44 0.92 0.00 5.60 3.20 -0.97 -3.11 116.97 123.04 1nvm h TYR 287 Ca -0.01 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1nvm h TYR 287 Cb 1.19 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1nvm h TYR 287 CO 0.05 0.92 -0.56 0.00 -1.64 0.00 0.00 178.16 176.94 1nvm n ALA 288 N -2.45 3.10 -2.92 1.82 0.00 -0.13 -4.97 120.51 114.96 1nvm n ALA 288 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1nvm n ALA 288 Cb 0.36 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.69 1nvm n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvm n GLY 289 N 1.40 0.09 3.87 0.00 0.00 0.68 -4.68 105.19 106.55 1nvm n GLY 289 Ca 0.04 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1nvm n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nvm s VAL 290 N -3.18 5.37 -0.25 1.61 1.01 0.09 -4.81 120.40 120.24 1nvm s VAL 290 Ca 0.16 0.30 -0.39 0.00 0.00 0.00 0.00 61.98 62.04 1nvm s VAL 290 Cb -0.07 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 1nvm s VAL 290 CO 0.39 0.54 1.79 0.00 0.00 0.00 0.00 175.10 177.82 1nvm n TYR 291 N 1.71 2.09 0.19 5.22 9.36 -1.26 -4.27 117.16 130.20 1nvm n TYR 291 Ca -0.17 0.44 0.10 0.00 3.32 0.00 0.00 57.90 61.59 1nvm n TYR 291 Cb 0.54 -2.50 0.63 0.00 -0.63 0.00 0.00 39.34 37.38 1nvm n TYR 291 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1nvm h SER 292 N 7.73 0.05 0.53 2.98 0.02 -1.45 -1.66 113.55 121.74 1nvm h SER 292 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1nvm h SER 292 Cb 1.31 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1nvm h SER 292 CO 0.96 0.04 0.00 -1.54 -1.14 0.00 0.00 176.83 175.15 1nvm n SER 293 N -4.51 0.60 0.30 3.07 3.41 -1.26 -1.94 113.62 113.30 1nvm n SER 293 Ca -0.00 0.68 0.20 0.00 -0.26 0.00 0.00 58.87 59.49 1nvm n SER 293 Cb 0.18 -0.79 0.99 0.00 -0.26 0.00 0.00 64.21 64.32 1nvm n SER 293 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1nvm h PHE 294 N 0.00 0.00 -0.23 7.33 -1.00 -1.65 -3.36 116.94 118.02 1nvm h PHE 294 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 1nvm h PHE 294 Cb 0.26 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 1nvm h PHE 294 CO 0.00 0.00 -0.53 1.25 -1.61 0.00 0.00 178.31 177.42 1nvm h LEU 295 N 0.00 -1.72 -0.86 1.54 5.85 -1.61 0.39 115.31 118.90 1nvm h LEU 295 Ca 0.00 0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 1nvm h LEU 295 Cb 0.19 0.69 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1nvm h LEU 295 CO 0.00 -0.45 -0.46 0.03 -0.34 0.00 0.00 178.44 177.22 1nvm h ARG 296 N -0.51 0.00 -0.31 1.25 2.47 -1.85 -0.97 114.38 114.46 1nvm h ARG 296 Ca 0.05 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.63 1nvm h ARG 296 Cb 0.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1nvm h ARG 296 CO -0.49 0.46 -0.38 0.45 0.56 0.00 0.00 179.97 180.57 1nvm h HIS 297 N 0.00 0.87 -0.51 3.04 3.86 -1.69 -0.05 115.15 120.68 1nvm h HIS 297 Ca -0.00 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 58.87 1nvm h HIS 297 Cb 0.97 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1nvm h HIS 297 CO 0.00 1.00 -0.02 0.00 0.86 0.00 0.00 177.93 179.77 1nvm h ALA 298 N 0.97 0.69 -0.82 2.45 0.00 -0.47 -1.24 119.26 120.84 1nvm h ALA 298 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1nvm h ALA 298 Cb 0.92 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1nvm h ALA 298 CO 0.08 0.51 0.40 0.93 0.00 0.00 0.00 179.25 181.18 1nvm h GLU 299 N 0.77 1.17 -0.27 0.00 5.08 -0.84 0.21 114.58 120.71 1nvm h GLU 299 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nvm h GLU 299 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1nvm h GLU 299 CO 0.03 0.90 0.15 0.82 -1.00 0.00 0.00 179.01 179.91 1nvm h ILE 300 N 1.16 1.12 -0.56 3.13 2.04 -0.85 -1.24 117.51 122.31 1nvm h ILE 300 Ca 0.28 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1nvm h ILE 300 Cb 0.11 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1nvm h ILE 300 CO -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1nvm h ALA 301 N 1.02 0.91 -0.62 1.87 0.00 -0.98 -1.86 119.26 119.60 1nvm h ALA 301 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nvm h ALA 301 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1nvm h ALA 301 CO -0.02 0.64 0.40 0.00 0.00 0.00 0.00 179.25 180.28 1nvm h ALA 302 N 1.08 0.79 -0.61 0.00 0.00 -0.32 -0.51 119.26 119.68 1nvm h ALA 302 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1nvm h ALA 302 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1nvm h ALA 302 CO 0.03 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.54 1nvm h ALA 303 N 1.22 0.88 -0.28 0.00 0.00 -1.01 0.54 119.26 120.61 1nvm h ALA 303 Ca 0.23 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1nvm h ALA 303 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nvm h ALA 303 CO -0.05 0.66 -0.08 -0.22 0.00 0.00 0.00 179.25 179.57 1nvm h LYS 304 N 0.97 0.55 -0.31 0.00 3.64 -0.78 -3.30 116.57 117.34 1nvm h LYS 304 Ca 0.18 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1nvm h LYS 304 Cb 0.53 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1nvm h LYS 304 CO 0.03 0.76 0.00 0.66 -2.27 0.00 0.00 179.45 178.63 1nvm n TYR 305 N -4.49 0.39 -3.59 1.91 4.01 -0.25 -4.98 117.16 110.15 1nvm n TYR 305 Ca -0.03 -0.19 -0.22 0.00 -0.16 0.00 0.00 57.90 57.29 1nvm n TYR 305 Cb 0.32 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.42 1nvm n TYR 305 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nvm n ASN 306 N 1.26 -3.78 -4.71 7.72 3.02 0.09 -5.02 115.26 113.83 1nvm n ASN 306 Ca 0.18 -0.64 -0.24 0.00 -0.03 0.00 0.00 54.58 53.85 1nvm n ASN 306 Cb 0.56 -4.77 -0.07 0.00 -0.61 0.00 0.00 39.78 34.89 1nvm n ASN 306 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nvm s LEU 307 N -6.86 3.18 0.08 3.41 1.43 -0.65 -5.03 118.68 114.24 1nvm s LEU 307 Ca 0.29 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 1nvm s LEU 307 Cb -0.13 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1nvm s LEU 307 CO 0.76 -0.33 1.06 -0.54 0.23 0.00 0.00 176.35 177.52 1nvm s LYS 308 N -3.83 4.57 0.22 1.70 1.02 -1.26 -4.56 119.74 117.61 1nvm s LYS 308 Ca 0.38 1.58 -0.07 0.00 0.02 0.00 0.00 55.97 57.88 1nvm s LYS 308 Cb -0.01 -3.37 0.32 0.00 -0.52 0.00 0.00 37.83 34.25 1nvm s LYS 308 CO 0.22 -0.00 1.78 1.15 -0.92 0.00 0.00 175.35 177.58 1nvm h THR 309 N 4.28 0.87 -0.88 2.17 2.02 -1.92 -1.81 112.91 117.65 1nvm h THR 309 Ca -0.42 -0.21 0.10 0.00 0.77 0.00 0.00 66.41 66.64 1nvm h THR 309 Cb 1.21 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1nvm h THR 309 CO 0.75 0.11 0.57 0.25 0.37 0.00 0.00 175.52 177.57 1nvm h LEU 310 N 0.62 0.78 -0.78 2.58 5.85 -1.93 -0.02 115.31 122.41 1nvm h LEU 310 Ca 0.34 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1nvm h LEU 310 Cb 0.34 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1nvm h LEU 310 CO -0.25 0.45 0.33 0.44 -0.34 0.00 0.00 178.44 179.07 1nvm h ASP 311 N 0.86 1.07 -0.34 1.25 3.32 -1.74 0.01 116.42 120.85 1nvm h ASP 311 Ca 0.41 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1nvm h ASP 311 Cb 0.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1nvm h ASP 311 CO -0.17 0.94 0.13 0.40 -1.72 0.00 0.00 179.24 178.81 1nvm h ILE 312 N 1.13 1.19 -0.51 0.35 2.04 -1.05 -2.25 117.51 118.42 1nvm h ILE 312 Ca 0.26 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1nvm h ILE 312 Cb 0.19 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1nvm h ILE 312 CO -0.02 0.21 -0.16 -0.07 0.00 0.00 0.00 178.15 178.10 1nvm h LEU 313 N 0.39 1.02 -0.73 1.44 3.38 -0.58 -0.92 115.31 119.32 1nvm h LEU 313 Ca 0.11 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1nvm h LEU 313 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1nvm h LEU 313 CO -0.01 1.15 0.34 0.58 0.09 0.00 0.00 178.44 180.60 1nvm h VAL 314 N 0.88 1.24 -0.34 1.22 2.07 -0.97 -1.08 116.25 119.27 1nvm h VAL 314 Ca 0.13 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1nvm h VAL 314 Cb 0.73 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1nvm h VAL 314 CO 0.06 0.28 -0.28 -0.08 0.02 0.00 0.00 177.57 177.58 1nvm h GLU 315 N 1.02 0.70 -0.93 1.57 4.57 -1.18 -1.96 114.58 118.37 1nvm h GLU 315 Ca 0.25 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 1nvm h GLU 315 Cb 0.13 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 1nvm h GLU 315 CO -0.03 0.90 0.59 -0.07 -1.18 0.00 0.00 179.01 179.22 1nvm h LEU 316 N 0.60 0.94 -1.09 1.64 3.38 -0.76 -1.06 115.31 118.96 1nvm h LEU 316 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nvm h LEU 316 Cb 0.78 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1nvm h LEU 316 CO 0.06 0.60 0.52 1.23 0.09 0.00 0.00 178.44 180.94 1nvm h GLY 317 N 1.08 1.21 1.77 0.83 0.00 -0.57 -2.25 103.07 105.14 1nvm h GLY 317 Ca 0.41 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1nvm h GLY 317 CO -0.18 0.48 -0.38 0.45 0.00 0.00 0.00 176.54 176.91 1nvm h HIS 318 N 1.16 0.30 0.00 5.60 3.86 -0.51 -2.80 115.15 122.76 1nvm h HIS 318 Ca 0.30 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1nvm h HIS 318 Cb -0.06 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1nvm h HIS 318 CO 0.00 0.61 0.00 0.54 0.86 0.00 0.00 177.93 179.95 1nvm n ARG 319 N -4.05 0.11 -3.50 2.45 5.12 -0.62 -4.95 116.66 111.21 1nvm n ARG 319 Ca -0.01 0.19 -0.22 0.00 -1.93 0.00 0.00 57.85 55.88 1nvm n ARG 319 Cb 0.46 -1.65 0.06 0.00 -1.16 0.00 0.00 32.46 30.16 1nvm n ARG 319 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nvm n ARG 320 N -1.84 -2.99 -2.03 5.56 1.74 -0.96 -4.99 116.66 111.14 1nvm n ARG 320 Ca 0.05 0.69 -0.32 0.00 -0.77 0.00 0.00 57.85 57.50 1nvm n ARG 320 Cb 0.31 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 1nvm n ARG 320 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1nvm s MET 321 N -5.33 3.59 0.52 5.56 -1.94 -1.25 -5.09 119.30 115.37 1nvm s MET 321 Ca 0.31 0.90 0.04 0.00 -1.71 0.00 0.00 55.69 55.24 1nvm s MET 321 Cb -0.07 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.70 1nvm s MET 321 CO 0.79 -0.57 0.24 0.14 -0.01 0.00 0.00 175.02 175.61 1nvm s VAL 322 N -2.88 1.54 0.42 -6.03 -7.23 -1.26 -4.72 120.40 100.24 1nvm s VAL 322 Ca 0.58 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.81 1nvm s VAL 322 Cb -0.12 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 1nvm s VAL 322 CO 0.44 0.00 1.15 0.61 -0.31 0.00 0.00 175.10 177.00 1nvm n GLY 323 N -1.53 0.21 1.49 2.32 0.00 -1.26 -2.32 105.19 104.10 1nvm n GLY 323 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1nvm n GLY 323 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nvm n GLY 324 N 0.98 1.48 1.93 -0.02 0.00 -1.26 -4.94 105.19 103.37 1nvm n GLY 324 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1nvm n GLY 324 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nvm n GLN 325 N -2.00 1.91 -0.12 1.61 6.02 -0.98 -4.61 117.38 119.20 1nvm n GLN 325 Ca 0.00 -1.79 0.17 0.00 -0.01 0.00 0.00 57.00 55.37 1nvm n GLN 325 Cb 0.00 -1.70 0.56 0.00 1.02 0.00 0.00 30.24 30.12 1nvm n GLN 325 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nvm h GLU 326 N 1.47 0.29 0.00 -1.09 3.07 -1.86 -0.91 114.58 115.55 1nvm h GLU 326 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 1nvm h GLU 326 Cb 0.98 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1nvm h GLU 326 CO 0.86 0.19 -0.03 0.38 -1.40 0.00 0.00 179.01 179.00 1nvm h ASP 327 N 0.30 0.00 0.84 1.42 2.03 -1.85 -1.52 116.42 117.63 1nvm h ASP 327 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 1nvm h ASP 327 Cb 0.92 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1nvm h ASP 327 CO -0.09 0.03 0.00 0.24 -1.03 0.00 0.00 179.24 178.40 1nvm h MET 328 N 0.00 0.00 -0.16 4.15 2.86 -1.55 -3.01 114.93 117.22 1nvm h MET 328 Ca -0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1nvm h MET 328 Cb 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1nvm h MET 328 CO 0.00 0.00 0.05 0.82 1.06 0.00 0.00 176.91 178.84 1nvm h ILE 329 N 0.00 0.95 -0.20 -1.22 2.04 -1.40 0.15 117.51 117.83 1nvm h ILE 329 Ca 0.00 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 1nvm h ILE 329 Cb 0.42 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1nvm h ILE 329 CO 0.00 0.02 -0.37 0.58 0.00 0.00 0.00 178.15 178.38 1nvm h VAL 330 N 0.12 1.30 -0.29 1.67 2.07 -1.68 -1.00 116.25 118.42 1nvm h VAL 330 Ca 0.07 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1nvm h VAL 330 Cb 0.05 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1nvm h VAL 330 CO -0.08 0.46 0.10 -0.78 0.02 0.00 0.00 177.57 177.30 1nvm h ASP 331 N 0.38 0.10 -0.35 0.57 3.58 -1.49 0.73 116.42 119.94 1nvm h ASP 331 Ca 0.04 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1nvm h ASP 331 Cb 0.83 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1nvm h ASP 331 CO 0.07 0.09 0.05 0.58 -2.88 0.00 0.00 179.24 177.15 1nvm h VAL 332 N 0.23 1.24 -0.44 2.25 2.07 -0.36 -1.69 116.25 119.54 1nvm h VAL 332 Ca 0.13 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1nvm h VAL 332 Cb 0.10 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1nvm h VAL 332 CO -0.14 0.29 0.11 0.00 0.02 0.00 0.00 177.57 177.84 1nvm h ALA 333 N 0.90 0.50 -0.67 1.67 0.00 -0.82 0.13 119.26 120.96 1nvm h ALA 333 Ca 0.11 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1nvm h ALA 333 Cb 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1nvm h ALA 333 CO 0.01 -0.29 0.21 -0.07 0.00 0.00 0.00 179.25 179.10 1nvm h LEU 334 N 0.25 0.96 -0.97 0.00 3.38 -0.66 -1.76 115.31 116.51 1nvm h LEU 334 Ca 0.22 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1nvm h LEU 334 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1nvm h LEU 334 CO -0.27 0.89 -0.33 0.44 0.09 0.00 0.00 178.44 179.27 1nvm h ASP 335 N 0.99 0.35 -0.25 -0.43 3.32 -0.63 -0.78 116.42 118.99 1nvm h ASP 335 Ca 0.22 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1nvm h ASP 335 Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1nvm h ASP 335 CO -0.01 0.66 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.77 1nvm h LEU 336 N 0.30 0.80 -0.99 1.55 3.38 -0.30 -2.01 115.31 118.03 1nvm h LEU 336 Ca 0.04 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1nvm h LEU 336 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nvm h LEU 336 CO 0.06 1.07 -0.45 -0.07 0.09 0.00 0.00 178.44 179.13 1nvm h LEU 337 N 0.65 0.00 0.09 1.67 3.38 -1.09 -3.13 115.31 116.87 1nvm h LEU 337 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nvm h LEU 337 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1nvm h LEU 337 CO 0.08 0.45 -0.04 0.00 0.09 0.00 0.00 178.44 179.01 1nvm h ALA 338 N 1.55 -0.12 0.00 1.53 0.00 -0.88 -3.51 119.26 117.82 1nvm h ALA 338 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nvm h ALA 338 Cb 0.89 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nvm h ALA 338 CO 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.94