#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 1.62 0.56 -2.13 3.04 -1.26 -5.01 114.94 111.77 1nvm s ASN 4 Ca 0.00 -0.20 0.26 0.00 0.04 0.00 0.00 52.86 52.96 1nvm s ASN 4 Cb 0.00 -0.64 1.51 0.00 -1.54 0.00 0.00 41.25 40.59 1nvm s ASN 4 CO 0.00 -0.09 2.06 -0.65 -3.04 0.00 0.00 177.10 175.38 1nvm h PRO 5 N 7.70 0.00 0.00 0.43 0.11 -1.97 0.38 132.00 138.64 1nvm h PRO 5 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1nvm h PRO 5 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1nvm h PRO 5 CO 0.41 0.00 -0.59 0.77 -0.21 0.00 0.00 178.00 178.37 1nvm h SER 6 N 0.00 0.00 -1.94 -2.05 0.02 -1.95 -1.53 113.55 106.10 1nvm h SER 6 Ca 0.14 -0.08 -0.64 0.00 -0.84 0.00 0.00 61.79 60.37 1nvm h SER 6 Cb 0.65 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.23 1nvm h SER 6 CO -0.00 0.04 0.71 1.17 -1.14 0.00 0.00 176.83 177.61 1nvm n LYS 7 N -2.50 1.66 -2.09 3.45 4.81 0.12 -4.69 118.16 118.93 1nvm n LYS 7 Ca 0.02 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.64 1nvm n LYS 7 Cb 0.49 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.19 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 1.35 4.21 0.31 1.64 2.36 -1.26 -4.07 119.74 124.28 1nvm s LYS 8 Ca 0.84 2.10 -0.12 0.00 -2.55 0.00 0.00 55.97 56.25 1nvm s LYS 8 Cb -0.83 -3.79 -0.08 0.00 -1.05 0.00 0.00 37.83 32.08 1nvm s LYS 8 CO 0.46 -0.74 0.68 -0.51 1.55 0.00 0.00 175.35 176.78 1nvm s LEU 9 N 3.33 4.04 -0.26 5.43 1.43 0.57 -5.03 118.68 128.19 1nvm s LEU 9 Ca 0.69 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1nvm s LEU 9 Cb -0.33 -3.93 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 1nvm s LEU 9 CO 0.28 -0.21 0.14 -0.47 0.23 0.00 0.00 176.35 176.32 1nvm s TYR 10 N -2.02 3.17 -0.36 0.29 6.14 -0.86 -4.75 117.35 118.95 1nvm s TYR 10 Ca 0.51 -0.08 -0.08 0.00 0.64 0.00 0.00 57.07 58.05 1nvm s TYR 10 Cb -0.10 -2.31 0.04 0.00 0.42 0.00 0.00 41.96 40.00 1nvm s TYR 10 CO 0.22 -0.22 0.16 0.42 0.64 0.00 0.00 175.55 176.77 1nvm s ILE 11 N 1.63 4.13 -0.41 3.14 -1.09 -1.26 -1.52 121.20 125.83 1nvm s ILE 11 Ca 0.07 -1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 57.31 1nvm s ILE 11 Cb -0.15 -3.35 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1nvm s ILE 11 CO 0.08 -0.23 0.27 -0.55 -1.23 0.00 0.00 174.94 173.27 1nvm s SER 12 N 1.52 5.87 0.03 3.58 0.15 -0.53 -1.44 113.70 122.88 1nvm s SER 12 Ca 0.00 -1.13 -0.25 0.00 0.70 0.00 0.00 55.95 55.28 1nvm s SER 12 Cb -0.20 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1nvm s SER 12 CO 0.04 -0.47 0.75 -0.62 1.20 0.00 0.00 173.24 174.14 1nvm s ASP 13 N 1.86 7.18 -0.14 5.45 -1.08 -0.38 -1.54 116.67 128.02 1nvm s ASP 13 Ca 0.03 1.41 0.16 0.00 -0.52 0.00 0.00 52.55 53.63 1nvm s ASP 13 Cb -0.21 -2.46 0.31 0.00 -1.46 0.00 0.00 42.92 39.10 1nvm s ASP 13 CO 0.07 0.01 1.16 1.33 0.52 0.00 0.00 175.17 178.25 1nvm n VAL 14 N 2.88 1.84 -0.25 1.11 0.24 -0.19 -0.24 118.33 123.71 1nvm n VAL 14 Ca -0.03 -2.36 0.02 0.00 -2.04 0.00 0.00 64.34 59.94 1nvm n VAL 14 Cb 0.50 -0.18 0.25 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.69 1.13 -0.56 3.34 2.02 -1.81 -0.21 112.91 117.51 1nvm h THR 15 Ca -0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1nvm h THR 15 Cb 1.03 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1nvm h THR 15 CO 0.00 0.18 0.04 0.18 0.37 0.00 0.00 175.52 176.29 1nvm n LEU 16 N -4.45 5.49 0.00 2.58 4.77 -1.23 -2.78 117.00 121.37 1nvm n LEU 16 Ca 0.11 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 1nvm n LEU 16 Cb 0.12 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1nvm n LEU 16 CO 0.35 0.63 0.00 -1.14 -1.33 0.00 0.00 177.39 175.89 1nvm n ARG 17 N 0.49 0.00 -0.33 3.23 0.00 -0.64 -2.82 116.66 116.59 1nvm n ARG 17 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.11 1nvm n ARG 17 Cb 1.16 0.00 0.15 0.00 0.00 0.00 0.00 32.46 33.77 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 1.08 -0.01 6.15 -0.00 -1.32 -1.01 116.42 121.31 1nvm h ASP 18 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1nvm h ASP 18 Cb 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 39.33 39.06 1nvm h ASP 18 CO 0.00 0.78 0.01 1.23 -0.00 0.00 0.00 179.24 181.26 1nvm h GLY 19 N 1.27 0.00 0.99 -0.78 0.00 -1.29 -1.09 103.07 102.17 1nvm h GLY 19 Ca 0.34 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1nvm h GLY 19 CO -0.07 0.00 0.51 0.23 0.00 0.00 0.00 176.54 177.21 1nvm h SER 20 N 0.00 0.75 -0.89 0.19 0.87 -1.27 -0.95 113.55 112.25 1nvm h SER 20 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.67 1nvm h SER 20 Cb 0.02 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 61.75 1nvm h SER 20 CO -0.00 0.49 0.53 0.45 -0.53 0.00 0.00 176.83 177.77 1nvm h HIS 21 N 0.86 0.97 0.00 2.24 -0.00 -1.30 0.88 115.15 118.79 1nvm h HIS 21 Ca 0.34 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.68 1nvm h HIS 21 Cb 0.22 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1nvm h HIS 21 CO -0.00 0.40 -0.28 0.00 -0.00 0.00 0.00 177.93 178.05 1nvm h ALA 22 N 1.48 1.05 -0.55 2.45 0.00 -1.31 -2.56 119.26 119.82 1nvm h ALA 22 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nvm h ALA 22 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nvm h ALA 22 CO -0.25 0.35 0.00 1.51 0.00 0.00 0.00 179.25 180.87 1nvm n ILE 23 N -3.50 1.21 -3.93 0.00 3.06 -0.98 -4.64 119.36 110.59 1nvm n ILE 23 Ca -0.00 -1.08 -0.28 0.00 -2.50 0.00 0.00 62.75 58.89 1nvm n ILE 23 Cb 0.44 0.40 0.01 0.00 0.54 0.00 0.00 39.64 41.03 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 1.01 -4.45 -3.46 9.51 1.74 -0.61 -2.22 116.66 118.18 1nvm n ARG 24 Ca 0.20 0.52 -0.25 0.00 -0.77 0.00 0.00 57.85 57.54 1nvm n ARG 24 Cb 0.61 -5.12 0.02 0.00 -1.02 0.00 0.00 32.46 26.95 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 -4.47 -2.04 -1.20 -1.55 8.25 0.20 -4.80 115.22 109.62 1nvm n HIS 25 Ca -0.12 0.64 -0.03 0.00 -0.26 0.00 0.00 57.72 57.95 1nvm n HIS 25 Cb 0.60 -3.75 0.24 0.00 1.12 0.00 0.00 29.99 28.19 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 -4.16 2.64 -1.76 -0.41 1.13 -0.94 -0.94 117.38 112.93 1nvm n GLN 26 Ca -0.02 -3.04 -0.41 0.00 -1.94 0.00 0.00 57.00 51.59 1nvm n GLN 26 Cb 0.56 -1.96 0.01 0.00 0.11 0.00 0.00 30.24 28.96 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 -0.73 2.79 -2.48 1.08 4.01 -1.26 -4.87 117.16 115.70 1nvm n TYR 27 Ca 0.34 0.45 -0.24 0.00 -0.16 0.00 0.00 57.90 58.29 1nvm n TYR 27 Cb 1.14 -2.49 0.04 0.00 -0.31 0.00 0.00 39.34 37.73 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 -1.16 2.81 0.29 -0.72 -4.23 -1.26 -4.68 115.64 106.69 1nvm s THR 28 Ca 0.58 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.73 1nvm s THR 28 Cb -0.47 -3.12 0.05 0.00 1.34 0.00 0.00 72.50 70.31 1nvm s THR 28 CO 0.60 -0.10 1.71 -0.07 -0.54 0.00 0.00 174.62 176.22 1nvm h LEU 29 N -0.18 0.33 -0.70 4.79 3.38 -1.99 -2.23 115.31 118.72 1nvm h LEU 29 Ca -0.44 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 1nvm h LEU 29 Cb 1.29 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1nvm h LEU 29 CO 0.57 0.67 -0.09 0.44 0.09 0.00 0.00 178.44 180.12 1nvm h ASP 30 N 0.28 0.90 -0.35 -0.43 5.19 -1.99 -1.11 116.42 118.92 1nvm h ASP 30 Ca 0.03 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1nvm h ASP 30 Cb 0.75 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1nvm h ASP 30 CO 0.06 1.01 0.20 0.44 -3.12 0.00 0.00 179.24 177.83 1nvm h ASP 31 N 0.82 0.43 -0.04 6.45 3.32 -1.83 -0.11 116.42 125.47 1nvm h ASP 31 Ca 0.14 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1nvm h ASP 31 Cb 0.61 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1nvm h ASP 31 CO 0.04 0.39 -0.30 -0.37 -1.72 0.00 0.00 179.24 177.27 1nvm h VAL 32 N 0.45 1.28 -0.26 -1.35 -1.51 -1.23 -0.65 116.25 112.97 1nvm h VAL 32 Ca 0.12 -1.37 -0.07 0.00 -1.23 0.00 0.00 66.70 64.15 1nvm h VAL 32 Cb 0.05 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1nvm h VAL 32 CO -0.02 0.43 -0.11 0.03 -1.23 0.00 0.00 177.57 176.67 1nvm h ARG 33 N 0.43 0.53 -0.67 5.19 3.08 -1.01 -0.45 114.38 121.47 1nvm h ARG 33 Ca 0.05 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1nvm h ARG 33 Cb 0.75 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1nvm h ARG 33 CO 0.06 0.78 0.29 0.00 -1.07 0.00 0.00 179.97 180.02 1nvm h ALA 34 N 0.74 0.87 -0.31 0.04 0.00 -0.78 -0.66 119.26 119.17 1nvm h ALA 34 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1nvm h ALA 34 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nvm h ALA 34 CO 0.04 0.48 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 1nvm h ILE 35 N 0.95 1.27 -0.62 0.00 2.04 -1.11 -2.59 117.51 117.46 1nvm h ILE 35 Ca 0.23 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 1nvm h ILE 35 Cb 0.18 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1nvm h ILE 35 CO -0.02 0.34 0.15 0.00 0.00 0.00 0.00 178.15 178.61 1nvm h ALA 36 N 0.82 0.81 -0.57 1.87 0.00 -0.81 -1.14 119.26 120.23 1nvm h ALA 36 Ca 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1nvm h ALA 36 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nvm h ALA 36 CO 0.02 0.53 0.37 0.00 0.00 0.00 0.00 179.25 180.17 1nvm h ARG 37 N 0.90 0.73 -0.26 0.00 3.08 -1.09 0.11 114.38 117.85 1nvm h ARG 37 Ca 0.19 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1nvm h ARG 37 Cb 0.36 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1nvm h ARG 37 CO 0.00 0.48 0.08 0.00 -1.07 0.00 0.00 179.97 179.46 1nvm h ALA 38 N 1.22 0.34 -0.70 0.04 0.00 -1.15 -0.72 119.26 118.29 1nvm h ALA 38 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 38 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1nvm h ALA 38 CO -0.06 -0.02 0.26 -0.07 0.00 0.00 0.00 179.25 179.36 1nvm h LEU 39 N 0.25 0.97 -0.54 0.00 3.38 -1.01 -1.68 115.31 116.68 1nvm h LEU 39 Ca 0.08 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1nvm h LEU 39 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1nvm h LEU 39 CO -0.00 0.88 0.11 -0.78 0.09 0.00 0.00 178.44 178.74 1nvm h ASP 40 N 1.03 0.85 -0.26 -0.43 3.58 -0.56 -2.40 116.42 118.22 1nvm h ASP 40 Ca 0.23 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1nvm h ASP 40 Cb 0.23 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1nvm h ASP 40 CO -0.02 0.88 -0.04 0.50 -2.88 0.00 0.00 179.24 177.68 1nvm h LYS 41 N 0.78 0.61 0.00 0.28 3.64 -0.94 -1.89 116.57 119.05 1nvm h LYS 41 Ca 0.17 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nvm h LYS 41 Cb 0.37 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1nvm h LYS 41 CO 0.01 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 1nvm n ALA 42 N -2.48 2.09 -3.15 5.00 0.00 -0.65 -4.83 120.51 116.50 1nvm n ALA 42 Ca 0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1nvm n ALA 42 Cb 0.29 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.47 -5.12 -1.50 0.00 5.02 -0.71 -1.31 118.16 113.07 1nvm n LYS 43 Ca 0.06 0.57 -0.32 0.00 -2.02 0.00 0.00 58.31 56.61 1nvm n LYS 43 Cb 0.26 -4.81 0.07 0.00 -0.02 0.00 0.00 35.03 30.53 1nvm n LYS 43 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1nvm s VAL 44 N -3.23 3.36 0.16 -0.18 -7.23 -1.08 -4.62 120.40 107.58 1nvm s VAL 44 Ca 0.25 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1nvm s VAL 44 Cb -0.11 -3.03 -0.14 0.00 0.56 0.00 0.00 36.38 33.66 1nvm s VAL 44 CO 0.50 -0.50 1.39 0.44 -0.31 0.00 0.00 175.10 176.61 1nvm h ASP 45 N -0.61 0.37 -5.04 4.85 5.19 -1.61 -3.36 116.42 116.20 1nvm h ASP 45 Ca -0.45 -0.28 -0.08 0.00 -0.62 0.00 0.00 57.03 55.60 1nvm h ASP 45 Cb 1.24 -0.11 -0.17 0.00 0.18 0.00 0.00 39.33 40.47 1nvm h ASP 45 CO 0.53 1.05 -0.16 -0.94 -3.12 0.00 0.00 179.24 176.61 1nvm s SER 46 N -6.97 -0.23 -0.23 6.45 1.04 -1.07 -2.15 113.70 110.54 1nvm s SER 46 Ca -0.04 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.34 1nvm s SER 46 Cb 0.10 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1nvm s SER 46 CO 0.84 -0.64 -0.08 -0.63 0.98 0.00 0.00 173.24 173.70 1nvm s ILE 47 N -2.47 1.71 0.02 -1.02 1.01 -0.17 -1.25 121.20 119.02 1nvm s ILE 47 Ca -0.05 -1.23 -0.25 0.00 0.00 0.00 0.00 60.65 59.12 1nvm s ILE 47 Cb -0.01 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1nvm s ILE 47 CO -0.03 0.02 0.77 -0.70 0.00 0.00 0.00 174.94 175.00 1nvm s GLU 48 N 1.33 4.49 -0.06 2.79 2.12 0.66 -0.73 118.70 129.30 1nvm s GLU 48 Ca -0.05 1.05 -0.01 0.00 0.36 0.00 0.00 54.97 56.32 1nvm s GLU 48 Cb -0.18 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1nvm s GLU 48 CO -0.07 0.22 0.02 0.08 -0.54 0.00 0.00 175.26 174.97 1nvm s VAL 49 N 0.18 0.25 0.00 3.70 1.01 -0.09 -3.13 120.40 122.31 1nvm s VAL 49 Ca 0.39 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1nvm s VAL 49 Cb -0.20 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1nvm s VAL 49 CO 0.22 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.56 1nvm n ALA 50 N 5.14 0.00 -0.76 5.51 0.00 -1.13 -4.56 120.51 124.71 1nvm n ALA 50 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1nvm n ALA 50 Cb 0.50 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.36 0.39 -0.34 0.00 -0.00 -1.25 -4.15 115.22 109.51 1nvm n HIS 51 Ca 0.00 0.36 0.10 0.00 -0.00 0.00 0.00 57.72 58.19 1nvm n HIS 51 Cb 0.00 -1.97 0.28 0.00 -0.00 0.00 0.00 29.99 28.31 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 -1.69 1.68 -2.65 1.57 0.00 -1.88 -0.56 103.07 99.54 1nvm h GLY 52 Ca -0.44 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.38 1nvm h GLY 52 CO 0.40 -0.01 0.20 1.22 0.00 0.00 0.00 176.54 178.35 1nvm n ASP 53 N -4.75 3.28 -0.06 0.19 8.00 -1.26 -4.73 116.55 117.21 1nvm n ASP 53 Ca 0.21 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1nvm n ASP 53 Cb 0.49 -0.63 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 -0.07 -2.07 3.72 0.44 0.00 -0.22 -4.40 105.19 102.60 1nvm n GLY 54 Ca 0.22 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 3.97 -1.30 0.99 4.77 0.59 -1.15 117.00 124.87 1nvm n LEU 55 Ca 0.00 1.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.96 1nvm n LEU 55 Cb 0.01 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.51 1nvm n LEU 55 CO 0.00 0.04 -0.15 0.00 -1.33 0.00 0.00 177.39 175.95 1nvm n GLN 56 N 2.83 -1.01 0.17 3.23 1.13 -1.26 -3.40 117.38 119.06 1nvm n GLN 56 Ca 0.12 0.82 0.03 0.00 -1.94 0.00 0.00 57.00 56.02 1nvm n GLN 56 Cb 0.35 -4.98 0.30 0.00 0.11 0.00 0.00 30.24 26.02 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 -5.52 1.08 0.00 -1.34 -3.44 103.07 93.84 1nvm h GLY 57 Ca -0.30 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.39 1nvm h GLY 57 CO 0.39 0.00 0.79 -1.26 0.00 0.00 0.00 176.54 176.47 1nvm n SER 58 N -3.78 2.67 -3.59 0.19 2.88 -1.26 -4.57 113.62 106.16 1nvm n SER 58 Ca -0.01 1.07 0.03 0.00 -1.33 0.00 0.00 58.87 58.62 1nvm n SER 58 Cb 0.51 -1.30 -0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 2.00 -0.03 0.24 -3.46 1.04 -0.94 -4.92 113.70 107.63 1nvm s SER 59 Ca 0.87 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 57.21 1nvm s SER 59 Cb -0.82 0.08 0.28 0.00 0.10 0.00 0.00 66.02 65.65 1nvm s SER 59 CO 0.48 -0.15 1.70 -0.26 0.98 0.00 0.00 173.24 176.00 1nvm h PHE 60 N 2.00 0.83 -0.41 5.02 0.04 -1.90 0.73 116.94 123.26 1nvm h PHE 60 Ca -0.32 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 1nvm h PHE 60 Cb 1.20 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 1nvm h PHE 60 CO 0.30 0.83 0.24 -0.97 -0.60 0.00 0.00 178.31 178.11 1nvm h ASN 61 N 0.69 0.50 -0.00 2.17 -0.00 -1.95 -3.28 115.58 113.71 1nvm h ASN 61 Ca 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1nvm h ASN 61 Cb 0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.78 1nvm h ASN 61 CO 0.04 0.42 -0.42 -1.22 -0.00 0.00 0.00 177.43 176.25 1nvm n TYR 62 N -4.75 0.00 0.00 0.67 4.01 -1.24 -4.74 117.16 111.11 1nvm n TYR 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nvm n TYR 62 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.15 2.35 3.81 2.72 0.00 0.22 -4.91 105.19 110.53 1nvm n GLY 63 Ca 0.04 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.69 3.33 0.46 1.61 0.08 -1.05 -2.21 117.98 119.51 1nvm s PHE 64 Ca 0.00 1.63 -0.15 0.00 0.12 0.00 0.00 56.93 58.54 1nvm s PHE 64 Cb 0.00 -2.90 -0.08 0.00 -0.57 0.00 0.00 43.02 39.47 1nvm s PHE 64 CO 0.00 -0.18 0.90 0.20 -0.10 0.00 0.00 175.22 176.04 1nvm s GLY 65 N -2.04 2.07 0.25 4.36 0.00 -1.26 -4.71 107.32 105.99 1nvm s GLY 65 Ca 0.61 0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.44 1nvm s GLY 65 CO 0.16 0.31 1.58 -0.09 0.00 0.00 0.00 173.10 175.07 1nvm h ARG 66 N 1.19 0.24 -5.06 2.90 2.43 -1.33 -3.45 114.38 111.29 1nvm h ARG 66 Ca -0.47 -0.15 -0.44 0.00 -0.81 0.00 0.00 59.98 58.11 1nvm h ARG 66 Cb 1.18 0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.61 1nvm h ARG 66 CO 0.62 0.75 -0.59 -1.01 -1.51 0.00 0.00 179.97 178.22 1nvm s HIS 67 N -3.82 1.77 0.62 2.20 3.76 -1.26 -5.10 115.29 113.46 1nvm s HIS 67 Ca -0.04 -1.11 -0.09 0.00 -0.15 0.00 0.00 55.06 53.67 1nvm s HIS 67 Cb 0.12 -1.11 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 1nvm s HIS 67 CO 0.79 -0.19 0.98 0.95 -0.85 0.00 0.00 174.74 176.43 1nvm s THR 68 N -3.47 4.11 0.25 1.30 -4.23 -1.26 -4.93 115.64 107.41 1nvm s THR 68 Ca 0.35 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1nvm s THR 68 Cb 0.07 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.49 1nvm s THR 68 CO 0.15 -0.78 1.86 0.44 -0.54 0.00 0.00 174.62 175.75 1nvm h ASP 69 N -0.31 0.88 -0.77 3.99 3.32 -1.98 -1.73 116.42 119.83 1nvm h ASP 69 Ca -0.45 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1nvm h ASP 69 Cb 1.23 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1nvm h ASP 69 CO 0.62 0.56 0.27 -0.07 -1.72 0.00 0.00 179.24 178.91 1nvm h LEU 70 N 1.01 1.09 -0.66 1.55 3.38 -1.96 -0.83 115.31 118.89 1nvm h LEU 70 Ca 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1nvm h LEU 70 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nvm h LEU 70 CO -0.18 0.99 0.38 -0.33 0.09 0.00 0.00 178.44 179.39 1nvm h GLU 71 N 1.13 0.91 -0.24 1.13 5.08 -1.77 -0.50 114.58 120.32 1nvm h GLU 71 Ca 0.25 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1nvm h GLU 71 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1nvm h GLU 71 CO -0.01 0.67 0.05 1.88 -1.00 0.00 0.00 179.01 180.59 1nvm h TYR 72 N 0.90 0.42 -0.53 4.33 0.05 -0.78 -1.93 116.97 119.43 1nvm h TYR 72 Ca 0.24 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.97 1nvm h TYR 72 Cb 0.01 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1nvm h TYR 72 CO -0.01 0.50 0.34 0.82 -1.05 0.00 0.00 178.16 178.76 1nvm h ILE 73 N 0.21 1.11 -0.62 -2.88 2.04 -1.00 -1.11 117.51 115.26 1nvm h ILE 73 Ca 0.07 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1nvm h ILE 73 Cb 0.31 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1nvm h ILE 73 CO 0.00 0.13 0.37 -0.08 0.00 0.00 0.00 178.15 178.56 1nvm h GLU 74 N 0.69 0.84 -0.75 2.37 4.81 -0.98 -0.04 114.58 121.51 1nvm h GLU 74 Ca 0.20 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1nvm h GLU 74 Cb -0.05 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 1nvm h GLU 74 CO -0.06 0.61 0.33 0.00 -0.73 0.00 0.00 179.01 179.16 1nvm h ALA 75 N 1.18 0.98 -0.20 2.92 0.00 -0.95 -2.39 119.26 120.79 1nvm h ALA 75 Ca 0.22 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1nvm h ALA 75 Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1nvm h ALA 75 CO -0.04 0.58 -0.60 0.28 0.00 0.00 0.00 179.25 179.47 1nvm h VAL 76 N 1.08 1.31 -0.48 0.00 2.07 -0.92 -3.16 116.25 116.14 1nvm h VAL 76 Ca 0.25 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.97 1nvm h VAL 76 Cb 0.18 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1nvm h VAL 76 CO -0.03 0.58 0.32 0.00 0.02 0.00 0.00 177.57 178.46 1nvm h ALA 77 N 0.83 1.78 0.00 1.67 0.00 -0.52 -1.99 119.26 121.03 1nvm h ALA 77 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 77 Cb 1.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nvm h ALA 77 CO 0.12 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1nvm n GLY 78 N -1.48 -0.99 0.00 0.00 0.00 -1.01 -3.76 105.19 97.95 1nvm n GLY 78 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1nvm n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nvm n GLU 79 N -0.98 2.32 -4.28 1.61 -0.58 -0.75 -5.06 120.64 112.92 1nvm n GLU 79 Ca 0.23 -0.04 -0.26 0.00 -0.42 0.00 0.00 57.16 56.67 1nvm n GLU 79 Cb 0.10 -1.04 -0.09 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.17 3.34 0.00 -3.67 -4.36 -1.21 -4.69 121.20 108.44 1nvm s ILE 80 Ca 0.00 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1nvm s ILE 80 Cb 0.06 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1nvm s ILE 80 CO 0.34 -0.17 0.00 -1.54 0.24 0.00 0.00 174.94 173.80 1nvm n SER 81 N -0.21 0.00 -0.01 4.36 3.41 -1.26 -4.96 113.62 114.94 1nvm n SER 81 Ca -0.09 -0.65 -0.05 0.00 -0.26 0.00 0.00 58.87 57.82 1nvm n SER 81 Cb 0.56 0.00 -0.02 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 -5.05 115.22 114.73 1nvm n HIS 82 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 1nvm n HIS 82 Cb 0.16 -0.24 0.07 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.38 2.28 0.30 1.57 0.00 -1.26 -5.00 121.76 117.27 1nvm s ALA 83 Ca -0.13 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 1nvm s ALA 83 Cb 0.02 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1nvm s ALA 83 CO 0.19 -1.61 0.53 -0.65 0.00 0.00 0.00 175.76 174.22 1nvm s GLN 84 N -4.28 3.55 -0.18 0.00 -0.21 -0.91 -4.92 119.66 112.71 1nvm s GLN 84 Ca 0.67 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.73 1nvm s GLN 84 Cb -0.22 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1nvm s GLN 84 CO 0.47 0.21 0.32 0.42 -2.12 0.00 0.00 175.29 174.58 1nvm s ILE 85 N -2.16 5.27 0.27 1.08 1.01 -1.26 -1.00 121.20 124.41 1nvm s ILE 85 Ca 0.42 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.71 1nvm s ILE 85 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1nvm s ILE 85 CO 0.33 0.34 0.13 0.00 0.00 0.00 0.00 174.94 175.73 1nvm s ALA 86 N 0.83 3.46 0.19 9.38 0.00 0.09 -1.05 121.76 134.66 1nvm s ALA 86 Ca 0.16 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1nvm s ALA 86 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1nvm s ALA 86 CO 0.05 0.23 0.29 -0.08 0.00 0.00 0.00 175.76 176.25 1nvm s THR 87 N -2.23 0.04 -0.04 0.00 -1.32 -0.37 -0.92 115.64 110.81 1nvm s THR 87 Ca 0.33 -1.53 0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1nvm s THR 87 Cb -0.07 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 1nvm s THR 87 CO 0.23 -0.19 -0.25 -0.22 -2.21 0.00 0.00 174.62 171.98 1nvm s LEU 88 N -3.02 2.06 -0.08 9.08 2.96 -1.26 -0.80 118.68 127.62 1nvm s LEU 88 Ca 0.23 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1nvm s LEU 88 Cb 0.03 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.41 1nvm s LEU 88 CO 0.04 0.28 0.00 -0.22 -1.32 0.00 0.00 176.35 175.14 1nvm s LEU 89 N -0.38 0.61 -0.36 -0.68 2.96 -0.63 -0.30 118.68 119.89 1nvm s LEU 89 Ca 0.03 -0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1nvm s LEU 89 Cb -0.12 -0.45 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1nvm s LEU 89 CO 0.01 -0.20 0.18 -0.76 -1.32 0.00 0.00 176.35 174.26 1nvm s LEU 90 N 1.97 4.58 0.19 -0.68 1.02 -1.26 -0.85 118.68 123.64 1nvm s LEU 90 Ca 0.05 -0.96 -0.33 0.00 0.02 0.00 0.00 54.13 52.91 1nvm s LEU 90 Cb -0.12 -1.99 -0.15 0.00 0.02 0.00 0.00 46.19 43.94 1nvm s LEU 90 CO -0.05 -0.35 1.30 -2.65 0.02 0.00 0.00 176.35 174.61 1nvm n PRO 91 N 4.96 1.54 0.00 1.29 -0.02 -1.25 -0.53 135.00 140.98 1nvm n PRO 91 Ca -0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1nvm n PRO 91 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.22 3.27 0.92 -1.23 0.00 -1.26 -4.81 105.19 104.31 1nvm n GLY 92 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.61 0.77 -3.79 -0.61 5.41 0.31 -5.08 119.36 114.76 1nvm n ILE 93 Ca 0.00 0.25 -0.27 0.00 1.00 0.00 0.00 62.75 63.73 1nvm n ILE 93 Cb 0.00 -1.43 -0.03 0.00 -0.71 0.00 0.00 39.64 37.47 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 -3.67 1.77 0.51 7.39 0.00 -0.58 -4.84 107.32 107.90 1nvm s GLY 94 Ca -0.02 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1nvm s GLY 94 CO 0.03 -0.88 0.03 -1.35 0.00 0.00 0.00 173.10 170.93 1nvm s SER 95 N -3.18 4.15 0.38 1.64 1.04 -1.26 -4.22 113.70 112.26 1nvm s SER 95 Ca 0.37 -1.60 0.11 0.00 0.48 0.00 0.00 55.95 55.31 1nvm s SER 95 Cb -0.11 0.45 0.77 0.00 0.10 0.00 0.00 66.02 67.22 1nvm s SER 95 CO 0.29 -0.84 1.87 -0.37 0.98 0.00 0.00 173.24 175.17 1nvm h VAL 96 N 1.34 1.21 -0.50 5.02 -1.51 -1.97 -1.02 116.25 118.82 1nvm h VAL 96 Ca -0.44 -1.01 -0.04 0.00 -1.23 0.00 0.00 66.70 63.99 1nvm h VAL 96 Cb 1.31 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 31.90 1nvm h VAL 96 CO 0.74 0.30 0.13 -0.74 -1.23 0.00 0.00 177.57 176.76 1nvm h HIS 97 N 0.10 0.77 -0.20 5.19 -0.00 -1.99 -0.39 115.15 118.63 1nvm h HIS 97 Ca 0.02 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.19 1nvm h HIS 97 Cb 0.51 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1nvm h HIS 97 CO 0.00 0.65 -0.45 -0.44 -0.00 0.00 0.00 177.93 177.69 1nvm h ASP 98 N 0.73 0.54 -0.37 3.26 3.32 -1.60 -2.36 116.42 119.95 1nvm h ASP 98 Ca 0.17 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1nvm h ASP 98 Cb 0.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1nvm h ASP 98 CO -0.00 0.92 0.11 0.25 -1.72 0.00 0.00 179.24 178.79 1nvm h LEU 99 N 0.41 0.54 -0.55 1.55 5.85 -0.87 0.19 115.31 122.43 1nvm h LEU 99 Ca 0.03 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1nvm h LEU 99 Cb 0.95 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1nvm h LEU 99 CO 0.08 0.61 0.28 0.50 -0.34 0.00 0.00 178.44 179.58 1nvm h LYS 100 N 0.44 0.52 -0.51 1.25 3.64 -0.97 0.69 116.57 121.64 1nvm h LYS 100 Ca 0.12 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1nvm h LYS 100 Cb 0.27 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1nvm h LYS 100 CO -0.00 0.35 0.01 -0.91 -2.27 0.00 0.00 179.45 176.63 1nvm h ASN 101 N 0.54 0.81 -0.61 4.20 2.35 -1.14 -1.80 115.58 119.94 1nvm h ASN 101 Ca 0.25 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1nvm h ASN 101 Cb 0.16 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1nvm h ASN 101 CO -0.17 0.87 0.05 0.00 -1.65 0.00 0.00 177.43 176.52 1nvm h ALA 102 N 1.22 0.91 -0.23 -0.83 0.00 -0.14 -1.58 119.26 118.62 1nvm h ALA 102 Ca 0.15 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nvm h ALA 102 Cb 0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nvm h ALA 102 CO 0.02 0.66 0.13 -0.92 0.00 0.00 0.00 179.25 179.14 1nvm h TYR 103 N 0.98 0.25 -0.75 0.00 5.03 -0.61 -1.80 116.97 120.06 1nvm h TYR 103 Ca 0.18 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.55 1nvm h TYR 103 Cb 0.49 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 1nvm h TYR 103 CO 0.03 0.15 0.49 1.96 -1.32 0.00 0.00 178.16 179.47 1nvm h GLN 104 N 0.27 0.84 0.00 1.82 4.20 -1.07 -1.73 115.11 119.43 1nvm h GLN 104 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nvm h GLN 104 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1nvm h GLN 104 CO -0.04 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1nvm n ALA 105 N -2.43 2.07 0.00 3.87 0.00 -0.62 -4.89 120.51 118.52 1nvm n ALA 105 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1nvm n ALA 105 Cb 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.89 0.56 3.75 0.00 0.00 -0.65 -4.18 105.19 105.56 1nvm n GLY 106 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.08 3.52 0.00 4.61 0.00 -0.72 -4.53 121.76 123.57 1nvm s ALA 107 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1nvm s ALA 107 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1nvm s ALA 107 CO 0.00 -0.56 0.00 0.54 0.00 0.00 0.00 175.76 175.74 1nvm n ARG 108 N 1.89 1.41 -4.90 0.00 5.12 -0.21 -4.36 116.66 115.61 1nvm n ARG 108 Ca 0.04 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.63 1nvm n ARG 108 Cb 0.42 -0.88 -0.14 0.00 -1.16 0.00 0.00 32.46 30.71 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 -1.66 2.93 -0.05 1.55 1.01 -0.86 -1.08 120.40 122.25 1nvm s VAL 109 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1nvm s VAL 109 Cb 0.00 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1nvm s VAL 109 CO 0.00 0.57 -0.09 0.54 0.00 0.00 0.00 175.10 176.12 1nvm s VAL 110 N -0.31 0.84 -0.31 2.92 0.11 -0.52 -1.24 120.40 121.88 1nvm s VAL 110 Ca 0.02 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 1nvm s VAL 110 Cb -0.13 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1nvm s VAL 110 CO 0.03 0.28 0.12 -0.13 -3.33 0.00 0.00 175.10 172.07 1nvm s ARG 111 N 0.63 3.16 -0.40 1.54 3.00 0.02 -1.07 118.95 125.83 1nvm s ARG 111 Ca -0.11 -0.83 -0.22 0.00 0.00 0.00 0.00 55.73 54.58 1nvm s ARG 111 Cb -0.14 -3.48 0.01 0.00 0.00 0.00 0.00 34.95 31.35 1nvm s ARG 111 CO 0.02 -0.46 0.71 0.08 0.00 0.00 0.00 175.30 175.65 1nvm s VAL 112 N 1.55 4.78 -0.16 3.52 1.01 0.50 -1.61 120.40 129.99 1nvm s VAL 112 Ca 0.03 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1nvm s VAL 112 Cb -0.17 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1nvm s VAL 112 CO 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 175.10 174.68 1nvm s ALA 113 N 2.98 3.35 0.10 5.51 0.00 -0.03 -1.07 121.76 132.59 1nvm s ALA 113 Ca 0.27 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1nvm s ALA 113 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1nvm s ALA 113 CO 0.18 0.26 -0.10 0.95 0.00 0.00 0.00 175.76 177.05 1nvm s THR 114 N 0.14 0.95 0.56 0.00 -4.23 -0.86 -3.97 115.64 108.23 1nvm s THR 114 Ca 0.03 -1.63 -0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1nvm s THR 114 Cb -0.13 -1.36 -0.06 0.00 1.34 0.00 0.00 72.50 72.30 1nvm s THR 114 CO 0.01 -0.55 1.06 1.57 -0.54 0.00 0.00 174.62 176.18 1nvm n HIS 115 N 0.57 1.23 -0.14 3.99 -0.00 -1.26 -0.62 115.22 118.99 1nvm n HIS 115 Ca -0.16 0.46 0.27 0.00 0.46 0.00 0.00 57.72 58.75 1nvm n HIS 115 Cb 0.58 -2.21 0.72 0.00 -0.12 0.00 0.00 29.99 28.96 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 -4.18 0.00 -1.75 0.00 -2.24 -1.26 -4.50 114.28 100.35 1nvm n THR 117 Ca 0.17 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.56 1nvm n THR 117 Cb 0.92 0.63 0.05 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.73 3.20 0.28 -0.78 -0.58 -0.00 -4.80 120.64 117.22 1nvm n GLU 118 Ca 0.10 -3.81 0.14 0.00 -0.42 0.00 0.00 57.16 53.17 1nvm n GLU 118 Cb 0.37 -2.26 0.82 0.00 -0.57 0.00 0.00 31.44 29.81 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 2.05 1.40 0.00 0.62 0.00 -1.79 -2.64 119.26 118.90 1nvm h ALA 119 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1nvm h ALA 119 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nvm h ALA 119 CO 1.04 0.08 0.00 0.38 0.00 0.00 0.00 179.25 180.74 1nvm h ASP 120 N 0.00 0.00 0.86 0.00 3.04 -1.93 -1.53 116.42 116.87 1nvm h ASP 120 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nvm h ASP 120 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 1nvm h ASP 120 CO 0.01 0.00 0.00 1.33 -2.04 0.00 0.00 179.24 178.54 1nvm n VAL 121 N -2.45 0.33 1.34 4.15 0.24 -1.00 -3.22 118.33 117.73 1nvm n VAL 121 Ca 0.00 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 1nvm n VAL 121 Cb 0.17 -0.66 0.44 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.54 1.11 0.09 -1.34 3.41 -0.57 -4.60 113.62 110.19 1nvm n SER 122 Ca 0.06 -1.05 -0.12 0.00 -0.26 0.00 0.00 58.87 57.50 1nvm n SER 122 Cb 0.29 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.48 -0.42 -0.50 4.33 3.64 -1.73 -1.06 116.57 122.31 1nvm h LYS 123 Ca 0.00 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1nvm h LYS 123 Cb 0.49 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1nvm h LYS 123 CO 0.00 -0.28 0.22 1.96 -2.27 0.00 0.00 179.45 179.09 1nvm h GLN 124 N -0.44 0.42 -0.38 1.90 1.08 -1.87 0.53 115.11 116.35 1nvm h GLN 124 Ca 0.04 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1nvm h GLN 124 Cb 0.48 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1nvm h GLN 124 CO -0.17 0.28 0.06 0.45 -0.95 0.00 0.00 178.83 178.50 1nvm h HIS 125 N 0.44 0.68 -0.42 2.96 3.86 -1.78 -1.62 115.15 119.27 1nvm h HIS 125 Ca 0.23 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1nvm h HIS 125 Cb 0.19 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1nvm h HIS 125 CO -0.13 0.68 0.15 0.82 0.86 0.00 0.00 177.93 180.31 1nvm h ILE 126 N 0.48 1.21 -0.26 2.45 2.04 -0.90 -1.26 117.51 121.27 1nvm h ILE 126 Ca 0.12 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1nvm h ILE 126 Cb 0.38 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1nvm h ILE 126 CO 0.01 0.24 0.07 -0.33 0.00 0.00 0.00 178.15 178.15 1nvm h GLU 127 N 0.54 0.18 -0.12 2.37 5.08 -0.82 -2.10 114.58 119.70 1nvm h GLU 127 Ca 0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1nvm h GLU 127 Cb 0.23 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1nvm h GLU 127 CO -0.01 0.12 0.01 -0.92 -1.00 0.00 0.00 179.01 177.21 1nvm h TYR 128 N 0.18 0.02 -0.94 4.33 3.20 -1.15 -1.88 116.97 120.73 1nvm h TYR 128 Ca 0.11 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.07 1nvm h TYR 128 Cb 0.10 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 1nvm h TYR 128 CO -0.14 -0.00 0.59 0.00 -1.64 0.00 0.00 178.16 176.97 1nvm h ALA 129 N 1.10 1.33 -0.34 1.82 0.00 -1.08 -1.24 119.26 120.86 1nvm h ALA 129 Ca 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 129 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nvm h ALA 129 CO -0.09 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.30 1nvm h ARG 130 N 1.03 0.61 -0.15 0.00 2.47 -1.04 -2.11 114.38 115.20 1nvm h ARG 130 Ca 0.43 -0.21 -0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1nvm h ARG 130 Cb 0.26 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1nvm h ARG 130 CO -0.20 0.75 -0.33 -0.91 0.56 0.00 0.00 179.97 179.84 1nvm h ASN 131 N 0.55 0.30 1.19 7.04 2.35 -0.50 -1.65 115.58 124.86 1nvm h ASN 131 Ca 0.09 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1nvm h ASN 131 Cb 0.60 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1nvm h ASN 131 CO 0.04 0.62 0.00 -0.07 -1.65 0.00 0.00 177.43 176.38 1nvm h LEU 132 N 0.26 0.00 0.00 1.61 3.38 -0.96 -3.47 115.31 116.13 1nvm h LEU 132 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nvm h LEU 132 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nvm h LEU 132 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1nvm n GLY 133 N 0.54 0.76 3.84 0.83 0.00 -0.62 -5.06 105.19 105.48 1nvm n GLY 133 Ca 0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.53 3.32 -0.40 1.61 -1.94 -0.83 -4.98 119.30 115.54 1nvm s MET 134 Ca 0.00 0.87 -0.29 0.00 -1.71 0.00 0.00 55.69 54.56 1nvm s MET 134 Cb 0.00 -2.04 0.01 0.00 2.01 0.00 0.00 34.83 34.81 1nvm s MET 134 CO 0.00 -0.80 1.31 0.34 -0.01 0.00 0.00 175.02 175.86 1nvm s ASP 135 N -3.89 6.50 -0.30 3.03 2.15 -0.24 -4.60 116.67 119.32 1nvm s ASP 135 Ca 0.57 0.82 -0.10 0.00 0.43 0.00 0.00 52.55 54.27 1nvm s ASP 135 Cb -0.12 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1nvm s ASP 135 CO 0.52 -1.30 0.16 -0.89 -0.17 0.00 0.00 175.17 173.50 1nvm s THR 136 N 4.91 4.77 -0.03 1.71 2.01 -1.26 -1.45 115.64 126.30 1nvm s THR 136 Ca 0.56 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1nvm s THR 136 Cb -0.13 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1nvm s THR 136 CO 0.30 0.11 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.41 1nvm s VAL 137 N 1.65 1.94 0.06 3.82 1.01 -0.23 -1.18 120.40 127.47 1nvm s VAL 137 Ca 0.05 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1nvm s VAL 137 Cb -0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 1nvm s VAL 137 CO 0.07 0.55 0.37 -0.83 0.00 0.00 0.00 175.10 175.26 1nvm s GLY 138 N -0.40 2.33 -0.08 4.51 0.00 -0.49 -0.37 107.32 112.82 1nvm s GLY 138 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 1nvm s GLY 138 CO 0.01 -0.18 0.06 -0.12 0.00 0.00 0.00 173.10 172.87 1nvm s PHE 139 N -1.35 0.17 -0.35 1.90 5.36 -0.23 -0.78 117.98 122.70 1nvm s PHE 139 Ca 0.31 0.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.16 1nvm s PHE 139 Cb -0.14 -0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 41.95 1nvm s PHE 139 CO 0.17 -0.30 0.35 -0.51 -1.46 0.00 0.00 175.22 173.46 1nvm s LEU 140 N 2.14 4.49 0.50 6.12 1.43 -0.43 -2.03 118.68 130.89 1nvm s LEU 140 Ca 0.04 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1nvm s LEU 140 Cb -0.13 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 1nvm s LEU 140 CO -0.05 -0.34 0.85 -0.04 0.23 0.00 0.00 176.35 177.00 1nvm s MET 141 N 1.97 3.63 -1.40 1.70 -1.94 0.21 -1.04 119.30 122.43 1nvm s MET 141 Ca 0.11 0.42 -0.04 0.00 -1.71 0.00 0.00 55.69 54.47 1nvm s MET 141 Cb -0.17 -2.30 0.02 0.00 2.01 0.00 0.00 34.83 34.40 1nvm s MET 141 CO 0.12 -0.25 0.68 -1.33 -0.01 0.00 0.00 175.02 174.22 1nvm n MET 142 N -2.13 -4.47 0.00 2.03 2.81 -1.17 -1.36 117.12 112.83 1nvm n MET 142 Ca 0.02 0.54 0.04 0.00 -1.81 0.00 0.00 57.70 56.49 1nvm n MET 142 Cb 0.55 -5.05 0.19 0.00 -0.71 0.00 0.00 33.22 28.20 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 -2.98 0.00 -0.02 7.83 7.64 -0.79 -1.68 113.62 123.63 1nvm n SER 143 Ca -0.22 0.21 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1nvm n SER 143 Cb 0.64 -0.31 0.45 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.31 0.00 0.29 1.43 1.44 -1.26 -4.13 115.22 111.68 1nvm n HIS 144 Ca 0.03 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.89 1nvm n HIS 144 Cb 0.06 -0.34 0.44 0.00 0.12 0.00 0.00 29.99 30.27 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 0.08 0.00 -4.56 -1.40 2.86 -1.68 -3.45 114.93 106.78 1nvm h MET 145 Ca 0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 1nvm h MET 145 Cb 0.48 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.99 1nvm h MET 145 CO 0.00 0.00 -0.70 0.96 1.06 0.00 0.00 176.91 178.23 1nvm s ILE 146 N -3.41 0.59 0.72 -1.22 -4.36 -1.26 -5.13 121.20 107.13 1nvm s ILE 146 Ca 0.05 -1.84 -0.16 0.00 -0.26 0.00 0.00 60.65 58.43 1nvm s ILE 146 Cb 0.08 -1.56 0.03 0.00 1.25 0.00 0.00 42.46 42.25 1nvm s ILE 146 CO 0.59 -0.86 1.24 -2.84 0.24 0.00 0.00 174.94 173.31 1nvm s PRO 147 N -3.67 2.16 0.31 0.37 0.02 -1.26 -4.71 135.00 128.22 1nvm s PRO 147 Ca 0.09 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.06 1nvm s PRO 147 Cb 0.05 -1.82 0.81 0.00 0.02 0.00 0.00 34.50 33.56 1nvm s PRO 147 CO -0.05 -1.85 1.75 0.00 -0.33 0.00 0.00 177.00 176.51 1nvm h ALA 148 N -0.13 1.71 -0.48 -1.55 0.00 -1.91 -0.85 119.26 116.04 1nvm h ALA 148 Ca -0.49 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1nvm h ALA 148 Cb 1.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1nvm h ALA 148 CO 0.50 -0.18 0.06 0.93 0.00 0.00 0.00 179.25 180.56 1nvm h GLU 149 N 0.65 0.81 -0.47 0.00 5.08 -1.91 -1.09 114.58 117.65 1nvm h GLU 149 Ca 0.61 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1nvm h GLU 149 Cb 1.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1nvm h GLU 149 CO -0.44 0.82 0.10 0.87 -1.00 0.00 0.00 179.01 179.37 1nvm h LYS 150 N 0.67 0.76 -0.79 2.33 1.79 -1.75 -2.04 116.57 117.54 1nvm h LYS 150 Ca 0.14 -0.19 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1nvm h LYS 150 Cb 0.42 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1nvm h LYS 150 CO 0.01 0.75 0.51 1.25 -1.08 0.00 0.00 179.45 180.89 1nvm h LEU 151 N 0.63 0.85 -1.23 2.94 5.85 -1.08 -2.44 115.31 120.84 1nvm h LEU 151 Ca 0.15 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1nvm h LEU 151 Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1nvm h LEU 151 CO 0.00 0.59 -0.33 0.00 -0.34 0.00 0.00 178.44 178.37 1nvm h ALA 152 N 1.32 1.36 -0.42 1.25 0.00 -0.96 -1.21 119.26 120.60 1nvm h ALA 152 Ca 0.31 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1nvm h ALA 152 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nvm h ALA 152 CO -0.10 0.46 -0.16 0.93 0.00 0.00 0.00 179.25 180.39 1nvm h GLU 153 N 0.08 0.78 -0.54 0.00 5.08 -0.94 -0.41 114.58 118.63 1nvm h GLU 153 Ca 0.01 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1nvm h GLU 153 Cb 0.63 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1nvm h GLU 153 CO 0.05 0.89 -0.01 1.96 -1.00 0.00 0.00 179.01 180.89 1nvm h GLN 154 N 0.70 0.97 -0.70 2.33 1.08 -0.97 -2.16 115.11 116.36 1nvm h GLN 154 Ca 0.11 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.96 1nvm h GLN 154 Cb 0.65 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1nvm h GLN 154 CO 0.05 0.98 0.32 0.78 -0.95 0.00 0.00 178.83 180.01 1nvm h GLY 155 N 0.84 1.08 1.06 3.46 0.00 -0.78 -2.43 103.07 106.30 1nvm h GLY 155 Ca 0.15 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1nvm h GLY 155 CO 0.03 0.52 0.61 1.70 0.00 0.00 0.00 176.54 179.41 1nvm h LYS 156 N 0.98 1.26 -0.43 4.80 1.63 -0.86 -0.88 116.57 123.06 1nvm h LYS 156 Ca 0.24 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 60.01 1nvm h LYS 156 Cb 0.14 -0.28 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 1nvm h LYS 156 CO -0.03 0.85 0.12 -0.07 -3.45 0.00 0.00 179.45 176.87 1nvm h LEU 157 N 1.29 0.09 -1.15 5.20 3.38 -0.93 -0.56 115.31 122.62 1nvm h LEU 157 Ca 0.35 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 1nvm h LEU 157 Cb -0.12 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nvm h LEU 157 CO -0.07 0.08 -0.01 0.24 0.09 0.00 0.00 178.44 178.77 1nvm h MET 158 N 0.27 0.58 -0.26 1.13 2.86 -1.04 -1.51 114.93 116.95 1nvm h MET 158 Ca 0.21 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1nvm h MET 158 Cb 0.23 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1nvm h MET 158 CO -0.24 0.61 -0.34 1.49 1.06 0.00 0.00 176.91 179.49 1nvm h GLU 159 N 0.55 0.57 0.00 1.72 4.81 -0.53 -1.84 114.58 119.86 1nvm h GLU 159 Ca 0.12 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1nvm h GLU 159 Cb 0.37 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1nvm h GLU 159 CO 0.01 0.83 -0.19 0.66 -0.73 0.00 0.00 179.01 179.59 1nvm h SER 160 N 0.48 0.00 1.64 1.04 4.64 -0.16 -0.62 113.55 120.57 1nvm h SER 160 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nvm h SER 160 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1nvm h SER 160 CO 0.07 0.19 0.00 1.88 -0.87 0.00 0.00 176.83 178.10 1nvm h TYR 161 N 0.00 0.00 0.00 4.77 0.05 -0.86 -3.47 116.97 117.47 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 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 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 0.95 0.50 3.74 3.88 0.00 -0.24 -4.26 105.19 109.75 1nvm n GLY 162 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.45 3.48 -2.31 4.61 0.00 -0.73 -4.87 121.76 120.49 1nvm s ALA 163 Ca 0.00 1.04 0.20 0.00 0.00 0.00 0.00 51.96 53.19 1nvm s ALA 163 Cb 0.00 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.80 1nvm s ALA 163 CO 0.00 -0.45 1.09 0.25 0.00 0.00 0.00 175.76 176.65 1nvm n THR 164 N 2.41 0.00 -3.76 0.00 -2.24 -0.32 -4.39 114.28 105.98 1nvm n THR 164 Ca 0.05 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 1nvm n THR 164 Cb 0.44 1.37 -0.13 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.68 1.98 0.08 0.00 -1.09 0.11 -1.40 121.20 121.57 1nvm s ILE 166 Ca -0.05 -0.94 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1nvm s ILE 166 Cb -0.06 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1nvm s ILE 166 CO -0.04 0.54 0.00 -0.31 -1.23 0.00 0.00 174.94 173.90 1nvm s TYR 167 N 0.72 3.00 -0.15 3.97 1.51 0.04 -0.11 117.35 126.33 1nvm s TYR 167 Ca -0.10 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1nvm s TYR 167 Cb -0.16 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1nvm s TYR 167 CO 0.01 0.48 -0.03 0.00 -1.11 0.00 0.00 175.55 174.89 1nvm s MET 168 N -2.25 3.59 -0.15 -0.62 0.23 -0.83 -1.32 119.30 117.95 1nvm s MET 168 Ca 0.25 -0.51 -0.01 0.00 -1.03 0.00 0.00 55.69 54.40 1nvm s MET 168 Cb -0.12 -2.90 -0.01 0.00 -1.53 0.00 0.00 34.83 30.27 1nvm s MET 168 CO 0.18 0.30 -0.12 0.00 -2.03 0.00 0.00 175.02 173.34 1nvm s ALA 169 N 0.21 2.62 -1.22 3.16 0.00 -0.20 -1.44 121.76 124.88 1nvm s ALA 169 Ca -0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 1nvm s ALA 169 Cb -0.14 -1.29 0.21 0.00 0.00 0.00 0.00 23.12 21.90 1nvm s ALA 169 CO 0.03 0.07 1.70 -3.47 0.00 0.00 0.00 175.76 174.09 1nvm n ASP 170 N 3.86 5.46 -0.06 0.00 2.03 0.09 -1.89 116.55 126.03 1nvm n ASP 170 Ca -0.18 -3.17 0.12 0.00 0.52 0.00 0.00 54.79 52.08 1nvm n ASP 170 Cb 0.52 -1.43 0.52 0.00 -0.72 0.00 0.00 41.12 40.00 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 5.86 0.33 0.05 1.67 0.02 -1.91 0.24 113.55 119.81 1nvm h SER 171 Ca 0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nvm h SER 171 Cb 0.66 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1nvm h SER 171 CO 1.49 0.20 -0.06 0.61 -1.14 0.00 0.00 176.83 177.93 1nvm n GLY 172 N -1.53 -0.14 3.75 -3.77 0.00 -1.26 -1.64 105.19 100.60 1nvm n GLY 172 Ca 0.09 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 1.22 -0.47 0.21 -0.02 0.00 0.07 -3.53 105.19 102.67 1nvm n GLY 173 Ca 0.17 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.67 3.13 -2.72 4.61 0.00 -1.26 -3.90 120.51 115.69 1nvm n ALA 174 Ca -0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 1nvm n ALA 174 Cb 0.57 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.73 3.57 0.48 0.00 -1.94 -1.26 -4.99 119.30 113.44 1nvm s MET 175 Ca 0.09 -0.18 0.08 0.00 -1.71 0.00 0.00 55.69 53.96 1nvm s MET 175 Cb 0.10 -2.87 0.03 0.00 2.01 0.00 0.00 34.83 34.09 1nvm s MET 175 CO 0.36 0.47 0.55 -1.54 -0.01 0.00 0.00 175.02 174.86 1nvm s SER 176 N -2.57 5.17 0.26 3.03 1.04 -1.26 -4.95 113.70 114.41 1nvm s SER 176 Ca 0.40 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 1nvm s SER 176 Cb -0.12 -0.19 0.41 0.00 0.10 0.00 0.00 66.02 66.21 1nvm s SER 176 CO 0.26 -0.95 1.85 0.24 0.98 0.00 0.00 173.24 175.62 1nvm h MET 177 N 0.64 0.99 -0.20 4.02 2.86 -1.95 -1.44 114.93 119.85 1nvm h MET 177 Ca -0.37 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1nvm h MET 177 Cb 1.28 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1nvm h MET 177 CO 0.49 0.66 -0.04 -0.91 1.06 0.00 0.00 176.91 178.17 1nvm h ASN 178 N 1.02 0.28 -0.27 1.22 2.35 -2.00 -1.66 115.58 116.52 1nvm h ASN 178 Ca 0.42 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 1nvm h ASN 178 Cb 0.26 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1nvm h ASN 178 CO -0.20 0.37 -0.04 0.44 -1.65 0.00 0.00 177.43 176.35 1nvm h ASP 179 N 0.29 0.59 -0.41 5.81 3.32 -1.66 -1.12 116.42 123.25 1nvm h ASP 179 Ca 0.07 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 1nvm h ASP 179 Cb 0.27 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1nvm h ASP 179 CO 0.01 0.69 -0.22 0.40 -1.72 0.00 0.00 179.24 178.40 1nvm h ILE 180 N 0.59 1.28 -0.16 0.35 1.08 -1.13 -2.35 117.51 117.16 1nvm h ILE 180 Ca 0.12 -1.37 0.01 0.00 -0.39 0.00 0.00 64.86 63.23 1nvm h ILE 180 Cb 0.42 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1nvm h ILE 180 CO 0.02 0.46 0.08 0.03 -0.69 0.00 0.00 178.15 178.05 1nvm h ARG 181 N 0.70 0.17 -0.45 2.37 3.08 -0.88 0.23 114.38 119.59 1nvm h ARG 181 Ca 0.09 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.21 1nvm h ARG 181 Cb 0.78 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.73 1nvm h ARG 181 CO 0.06 0.11 0.04 -0.44 -1.07 0.00 0.00 179.97 178.67 1nvm h ASP 182 N 0.17 -0.11 -0.01 7.04 3.32 -1.16 -0.49 116.42 125.18 1nvm h ASP 182 Ca 0.07 0.10 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 1nvm h ASP 182 Cb 0.01 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1nvm h ASP 182 CO -0.05 -0.02 -0.60 0.03 -1.72 0.00 0.00 179.24 176.87 1nvm h ARG 183 N 0.15 0.62 -0.53 3.56 3.08 -1.14 -1.80 114.38 118.31 1nvm h ARG 183 Ca 0.23 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1nvm h ARG 183 Cb 0.32 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1nvm h ARG 183 CO -0.34 1.04 0.31 0.52 -1.07 0.00 0.00 179.97 180.42 1nvm h MET 184 N 0.46 0.73 -0.45 0.04 2.86 -0.52 -1.16 114.93 116.90 1nvm h MET 184 Ca -0.00 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1nvm h MET 184 Cb 1.18 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1nvm h MET 184 CO 0.12 0.55 -0.03 0.00 1.06 0.00 0.00 176.91 178.61 1nvm h ARG 185 N 0.72 0.74 -0.45 1.72 3.08 -1.02 -0.53 114.38 118.65 1nvm h ARG 185 Ca 0.19 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1nvm h ARG 185 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1nvm h ARG 185 CO -0.03 0.78 -0.09 0.00 -1.07 0.00 0.00 179.97 179.55 1nvm h ALA 186 N 1.27 0.61 0.22 0.04 0.00 -0.92 -1.87 119.26 118.62 1nvm h ALA 186 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nvm h ALA 186 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nvm h ALA 186 CO 0.02 0.49 -0.10 0.74 0.00 0.00 0.00 179.25 180.40 1nvm h PHE 187 N 0.69 -0.27 0.00 0.00 0.04 -0.96 -2.97 116.94 113.47 1nvm h PHE 187 Ca 0.11 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1nvm h PHE 187 Cb 0.63 0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 1nvm h PHE 187 CO 0.05 -0.10 -0.06 0.87 -0.60 0.00 0.00 178.31 178.47 1nvm h LYS 188 N -0.38 0.00 0.00 1.51 1.79 -1.02 -0.83 116.57 117.63 1nvm h LYS 188 Ca -0.03 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1nvm h LYS 188 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1nvm h LYS 188 CO 0.05 0.06 -0.45 0.00 -1.08 0.00 0.00 179.45 178.02 1nvm h ALA 189 N 1.94 1.03 0.00 3.86 0.00 -1.18 -3.37 119.26 121.55 1nvm h ALA 189 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1nvm h ALA 189 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nvm h ALA 189 CO 0.01 0.57 -1.15 1.33 0.00 0.00 0.00 179.25 180.01 1nvm n VAL 190 N -3.68 0.04 -1.83 0.00 0.24 -0.82 -5.05 118.33 107.22 1nvm n VAL 190 Ca -0.01 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.34 61.90 1nvm n VAL 190 Cb 0.53 0.15 0.03 0.00 -1.47 0.00 0.00 33.84 33.07 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 -3.41 3.30 0.53 1.34 1.43 -0.38 -5.00 118.68 116.49 1nvm s LEU 191 Ca -0.01 1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.53 1nvm s LEU 191 Cb 0.02 -4.50 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 1nvm s LEU 191 CO 0.12 -1.21 1.20 -0.54 0.23 0.00 0.00 176.35 176.15 1nvm s LYS 192 N -4.67 3.36 0.42 1.70 1.02 -1.26 -4.90 119.74 115.39 1nvm s LYS 192 Ca 0.59 1.82 0.15 0.00 0.02 0.00 0.00 55.97 58.55 1nvm s LYS 192 Cb -0.14 -2.16 1.02 0.00 -0.52 0.00 0.00 37.83 36.03 1nvm s LYS 192 CO 0.47 -0.90 1.91 -1.35 -0.92 0.00 0.00 175.35 174.56 1nvm h PRO 193 N 1.45 0.44 0.00 -1.68 0.11 -1.94 -0.85 132.00 129.53 1nvm h PRO 193 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1nvm h PRO 193 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nvm h PRO 193 CO 0.58 0.29 -0.10 1.05 -0.21 0.00 0.00 178.00 179.60 1nvm h GLU 194 N 0.46 0.00 -6.36 1.05 9.09 -1.98 -3.45 114.58 113.39 1nvm h GLU 194 Ca 0.39 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 59.26 1nvm h GLU 194 Cb 0.85 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.95 1nvm h GLU 194 CO -0.13 0.10 1.04 0.99 0.05 0.00 0.00 179.01 181.06 1nvm s THR 195 N -3.30 3.32 0.52 -1.06 2.01 -0.32 -4.98 115.64 111.82 1nvm s THR 195 Ca 0.05 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.45 1nvm s THR 195 Cb 0.07 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 1nvm s THR 195 CO 0.66 -0.03 1.04 -1.10 -0.69 0.00 0.00 174.62 174.50 1nvm s GLN 196 N 3.34 3.69 -0.05 4.92 -1.52 -0.00 -4.88 119.66 125.16 1nvm s GLN 196 Ca 0.74 1.28 0.04 0.00 -1.95 0.00 0.00 55.36 55.48 1nvm s GLN 196 Cb -0.37 -2.08 -0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1nvm s GLN 196 CO 0.31 -0.51 -0.18 0.08 -0.25 0.00 0.00 175.29 174.74 1nvm s VAL 197 N -2.16 1.48 0.18 1.09 1.01 -1.26 0.08 120.40 120.83 1nvm s VAL 197 Ca 0.66 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1nvm s VAL 197 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1nvm s VAL 197 CO 0.25 0.43 -0.19 -0.83 0.00 0.00 0.00 175.10 174.76 1nvm s GLY 198 N 0.06 1.50 -0.04 4.51 0.00 0.85 -0.54 107.32 113.66 1nvm s GLY 198 Ca -0.05 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.17 1nvm s GLY 198 CO 0.03 -1.63 -0.25 -0.29 0.00 0.00 0.00 173.10 170.96 1nvm s MET 199 N -2.93 2.27 -0.37 2.90 1.75 -0.64 -1.96 119.30 120.32 1nvm s MET 199 Ca 0.19 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 53.74 1nvm s MET 199 Cb -0.06 -2.05 0.11 0.00 2.84 0.00 0.00 34.83 35.68 1nvm s MET 199 CO 0.08 0.46 0.15 -1.58 -0.65 0.00 0.00 175.02 173.48 1nvm s HIS 200 N -0.38 2.06 0.23 4.11 2.46 -0.52 -1.28 115.29 121.97 1nvm s HIS 200 Ca 0.03 -2.17 -0.00 0.00 0.47 0.00 0.00 55.06 53.39 1nvm s HIS 200 Cb -0.12 -1.93 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 1nvm s HIS 200 CO 0.01 -0.85 0.43 0.00 -2.47 0.00 0.00 174.74 171.86 1nvm s ALA 201 N 1.01 3.80 0.17 1.58 0.00 -1.26 -0.73 121.76 126.33 1nvm s ALA 201 Ca 0.13 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1nvm s ALA 201 Cb -0.21 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1nvm s ALA 201 CO -0.12 0.33 -0.11 -1.01 0.00 0.00 0.00 175.76 174.85 1nvm s HIS 202 N -1.96 2.62 -0.75 0.00 3.76 -1.24 -2.99 115.29 114.73 1nvm s HIS 202 Ca 0.39 -0.22 0.15 0.00 -0.15 0.00 0.00 55.06 55.22 1nvm s HIS 202 Cb -0.11 -1.30 0.70 0.00 1.11 0.00 0.00 32.58 32.99 1nvm s HIS 202 CO 0.30 0.49 1.59 1.58 -0.85 0.00 0.00 174.74 177.86 1nvm n HIS 203 N 0.16 1.63 0.26 1.40 -0.00 0.63 -3.74 115.22 115.56 1nvm n HIS 203 Ca -0.11 -0.60 0.16 0.00 0.46 0.00 0.00 57.72 57.63 1nvm n HIS 203 Cb 0.55 -0.35 0.88 0.00 -0.12 0.00 0.00 29.99 30.94 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 3.69 0.00 -0.38 0.26 2.35 -1.80 -0.30 115.58 119.39 1nvm h ASN 204 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nvm h ASN 204 Cb 1.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1nvm h ASN 204 CO 0.33 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.29 1nvm n LEU 205 N -3.82 3.72 -1.01 1.61 4.77 -1.25 -4.05 117.00 116.96 1nvm n LEU 205 Ca -0.01 -2.50 -0.10 0.00 -0.03 0.00 0.00 56.01 53.37 1nvm n LEU 205 Cb 0.19 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1nvm n LEU 205 CO 0.27 0.73 -0.12 -1.54 -1.33 0.00 0.00 177.39 175.40 1nvm n SER 206 N 0.25 -3.69 -0.42 -1.43 3.41 -0.12 -4.93 113.62 106.68 1nvm n SER 206 Ca 0.19 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 1nvm n SER 206 Cb 0.71 -2.63 0.19 0.00 -0.26 0.00 0.00 64.21 62.22 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 -1.34 3.00 -0.16 1.04 4.77 -1.26 -4.68 117.00 118.37 1nvm n LEU 207 Ca -0.11 -3.01 -0.08 0.00 -0.03 0.00 0.00 56.01 52.78 1nvm n LEU 207 Cb 0.50 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1nvm n LEU 207 CO 0.14 0.69 1.01 1.23 -1.33 0.00 0.00 177.39 179.14 1nvm h GLY 208 N 0.80 0.69 0.86 -0.72 0.00 -1.83 0.27 103.07 103.13 1nvm h GLY 208 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1nvm h GLY 208 CO 0.09 0.30 -0.75 -2.08 0.00 0.00 0.00 176.54 174.10 1nvm h VAL 209 N 0.61 1.41 -0.50 4.60 2.07 -1.92 -3.06 116.25 119.47 1nvm h VAL 209 Ca 0.16 -2.21 0.04 0.00 0.82 0.00 0.00 66.70 65.51 1nvm h VAL 209 Cb 0.05 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1nvm h VAL 209 CO -0.03 0.65 0.25 0.00 0.02 0.00 0.00 177.57 178.46 1nvm h ALA 210 N 0.28 0.63 -0.11 1.67 0.00 -1.82 0.62 119.26 120.54 1nvm h ALA 210 Ca -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1nvm h ALA 210 Cb 1.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1nvm h ALA 210 CO 0.15 -0.10 -0.20 -0.91 0.00 0.00 0.00 179.25 178.19 1nvm h ASN 211 N 0.49 0.17 -0.29 0.00 2.35 -0.57 -1.58 115.58 116.15 1nvm h ASN 211 Ca 0.22 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1nvm h ASN 211 Cb 0.13 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1nvm h ASN 211 CO -0.15 0.38 -0.53 0.28 -1.65 0.00 0.00 177.43 175.76 1nvm h SER 212 N 0.17 0.97 -0.56 5.81 0.02 -1.24 -0.90 113.55 117.82 1nvm h SER 212 Ca 0.03 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 1nvm h SER 212 Cb 0.45 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1nvm h SER 212 CO 0.03 1.32 0.18 0.40 -1.14 0.00 0.00 176.83 177.62 1nvm h ILE 213 N 0.66 1.24 -0.40 3.27 1.08 -0.47 -1.96 117.51 120.93 1nvm h ILE 213 Ca 0.02 -0.79 -0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1nvm h ILE 213 Cb 1.14 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1nvm h ILE 213 CO 0.12 0.30 -0.03 0.58 -0.69 0.00 0.00 178.15 178.43 1nvm h VAL 214 N 0.78 1.27 -0.64 1.67 2.07 -1.25 -1.28 116.25 118.87 1nvm h VAL 214 Ca 0.18 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1nvm h VAL 214 Cb 0.27 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1nvm h VAL 214 CO -0.01 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.30 1nvm h ALA 215 N 0.87 0.84 -0.67 1.67 0.00 -1.01 -1.16 119.26 119.81 1nvm h ALA 215 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 215 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nvm h ALA 215 CO 0.03 0.04 0.15 0.28 0.00 0.00 0.00 179.25 179.75 1nvm h VAL 216 N 0.67 1.26 0.00 0.00 2.07 -0.86 -0.78 116.25 118.61 1nvm h VAL 216 Ca 0.28 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1nvm h VAL 216 Cb 0.15 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1nvm h VAL 216 CO -0.17 0.37 -0.09 -0.33 0.02 0.00 0.00 177.57 177.37 1nvm h GLU 217 N 1.00 0.00 -0.42 1.57 5.08 -0.64 -1.95 114.58 119.23 1nvm h GLU 217 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nvm h GLU 217 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nvm h GLU 217 CO 0.00 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 1nvm n GLU 218 N -4.24 1.96 -0.21 2.33 -0.58 -0.49 -4.39 120.64 115.01 1nvm n GLU 218 Ca -0.03 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 1nvm n GLU 218 Cb 0.17 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 0.93 0.79 3.76 0.62 0.00 -0.73 -4.82 105.19 105.72 1nvm n GLY 219 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.76 1.60 -4.29 0.00 9.92 0.30 -4.67 116.55 118.65 1nvm n ASP 221 Ca 0.09 0.12 -0.27 0.00 -0.53 0.00 0.00 54.79 54.20 1nvm n ASP 221 Cb 0.45 -0.36 -0.14 0.00 -0.64 0.00 0.00 41.12 40.44 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 -2.55 1.44 -0.08 -1.24 0.52 -0.73 -2.04 118.95 114.28 1nvm s ARG 222 Ca -0.21 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1nvm s ARG 222 Cb 0.07 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.92 1nvm s ARG 222 CO 0.74 0.41 -0.12 0.08 0.02 0.00 0.00 175.30 176.42 1nvm s VAL 223 N -0.89 1.23 0.04 3.52 1.01 -0.57 -1.61 120.40 123.12 1nvm s VAL 223 Ca 0.09 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1nvm s VAL 223 Cb -0.09 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1nvm s VAL 223 CO 0.03 0.38 0.57 -1.81 0.00 0.00 0.00 175.10 174.27 1nvm s ASP 224 N 0.89 7.02 0.28 3.32 1.11 -0.40 -1.45 116.67 127.44 1nvm s ASP 224 Ca -0.10 1.21 -0.20 0.00 0.18 0.00 0.00 52.55 53.65 1nvm s ASP 224 Cb -0.15 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.50 1nvm s ASP 224 CO 0.01 0.21 0.69 0.00 1.18 0.00 0.00 175.17 177.26 1nvm s ALA 225 N -0.76 -1.05 0.08 5.23 0.00 -0.59 -4.52 121.76 120.15 1nvm s ALA 225 Ca 0.30 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 1nvm s ALA 225 Cb -0.19 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1nvm s ALA 225 CO 0.18 -1.01 0.08 -1.54 0.00 0.00 0.00 175.76 173.47 1nvm s SER 226 N -2.94 0.30 0.06 0.00 1.04 -0.71 -1.03 113.70 110.43 1nvm s SER 226 Ca 0.13 -0.88 -0.31 0.00 0.48 0.00 0.00 55.95 55.37 1nvm s SER 226 Cb -0.05 0.28 -0.08 0.00 0.10 0.00 0.00 66.02 66.27 1nvm s SER 226 CO 0.08 -0.68 1.59 -0.76 0.98 0.00 0.00 173.24 174.45 1nvm s LEU 227 N -2.92 4.35 -0.98 2.42 1.43 -1.26 -0.21 118.68 121.51 1nvm s LEU 227 Ca 0.09 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1nvm s LEU 227 Cb 0.06 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1nvm s LEU 227 CO -0.08 -0.85 0.00 0.00 0.23 0.00 0.00 176.35 175.65 1nvm n ALA 228 N 5.47 -0.14 -1.18 4.21 0.00 -1.26 -1.22 120.51 126.38 1nvm n ALA 228 Ca 0.15 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.68 1nvm n ALA 228 Cb 0.41 -1.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.09 0.72 3.67 0.00 0.00 -0.62 -4.89 105.19 103.98 1nvm n GLY 229 Ca -0.09 -0.14 -0.62 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.23 0.54 -3.56 1.61 0.00 -0.36 -1.05 117.12 113.06 1nvm n MET 230 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1nvm n MET 230 Cb 0.40 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.82 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 4.58 -1.99 3.76 -5.12 0.00 -1.26 -3.18 105.19 101.99 1nvm n GLY 231 Ca 0.32 -1.16 -0.33 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 -1.82 2.36 0.00 4.61 0.00 -1.22 -4.04 121.76 121.64 1nvm s ALA 232 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1nvm s ALA 232 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1nvm s ALA 232 CO 0.00 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.68 1nvm n GLY 233 N -0.58 2.30 0.07 0.00 0.00 -1.13 -0.70 105.19 105.14 1nvm n GLY 233 Ca 0.10 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 10.16 2.57 0.00 4.61 0.00 -1.26 -4.53 120.51 132.06 1nvm n ALA 234 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1nvm n ALA 234 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.76 -4.07 3.89 0.00 0.00 0.12 -4.01 105.19 101.89 1nvm n GLY 235 Ca 0.11 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 0.77 -4.73 1.61 4.13 -0.22 -0.27 115.26 116.55 1nvm n ASN 236 Ca 0.00 -1.84 -0.42 0.00 1.68 0.00 0.00 54.58 54.01 1nvm n ASN 236 Cb 0.00 -0.83 -0.02 0.00 -1.54 0.00 0.00 39.78 37.39 1nvm n ASN 236 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nvm s ALA 237 N -3.55 3.85 -0.21 5.41 0.00 -1.16 -4.44 121.76 121.66 1nvm s ALA 237 Ca 0.71 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.96 1nvm s ALA 237 Cb -0.03 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1nvm s ALA 237 CO 0.48 -0.95 1.57 -1.25 0.00 0.00 0.00 175.76 175.61 1nvm s PRO 238 N 0.41 3.87 0.16 0.00 0.04 -1.26 -1.74 135.00 136.48 1nvm s PRO 238 Ca 0.70 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 1nvm s PRO 238 Cb -0.49 -4.00 0.08 0.00 0.04 0.00 0.00 34.50 30.13 1nvm s PRO 238 CO 0.39 -1.19 1.73 1.25 0.04 0.00 0.00 177.00 179.22 1nvm h LEU 239 N 11.34 -0.01 -1.08 -3.56 5.85 -0.90 -0.36 115.31 126.60 1nvm h LEU 239 Ca -0.33 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1nvm h LEU 239 Cb 1.15 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1nvm h LEU 239 CO 1.00 0.03 0.62 1.05 -0.34 0.00 0.00 178.44 180.80 1nvm h GLU 240 N 0.18 1.20 -0.31 1.25 9.09 -1.87 -0.12 114.58 124.00 1nvm h GLU 240 Ca 0.17 -0.07 -0.08 0.00 0.05 0.00 0.00 59.36 59.43 1nvm h GLU 240 Cb 0.20 -0.27 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 1nvm h GLU 240 CO -0.23 0.79 -0.13 0.28 0.05 0.00 0.00 179.01 179.77 1nvm h VAL 241 N 1.24 1.29 -0.51 -1.06 2.07 -1.81 -0.69 116.25 116.78 1nvm h VAL 241 Ca 0.36 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1nvm h VAL 241 Cb -0.07 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1nvm h VAL 241 CO -0.09 0.39 0.23 0.15 0.02 0.00 0.00 177.57 178.27 1nvm h PHE 242 N 0.41 0.75 -0.20 1.57 3.57 -0.69 -1.44 116.94 120.91 1nvm h PHE 242 Ca 0.07 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1nvm h PHE 242 Cb 0.65 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1nvm h PHE 242 CO 0.06 0.60 -0.30 0.82 -2.23 0.00 0.00 178.31 177.26 1nvm h ILE 243 N 0.68 1.27 -0.41 1.41 1.08 -0.98 -0.14 117.51 120.41 1nvm h ILE 243 Ca 0.17 -1.32 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1nvm h ILE 243 Cb 0.15 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1nvm h ILE 243 CO -0.02 0.41 0.15 0.00 -0.69 0.00 0.00 178.15 178.00 1nvm h ALA 244 N 1.34 0.53 -0.20 1.87 0.00 -0.59 -0.05 119.26 122.16 1nvm h ALA 244 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1nvm h ALA 244 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nvm h ALA 244 CO 0.05 0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.75 1nvm h VAL 245 N 0.52 1.25 -0.73 0.00 2.07 -1.03 -1.47 116.25 116.86 1nvm h VAL 245 Ca 0.13 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1nvm h VAL 245 Cb 0.22 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1nvm h VAL 245 CO -0.01 0.26 0.43 0.00 0.02 0.00 0.00 177.57 178.27 1nvm h ALA 246 N 0.80 0.98 -0.59 1.67 0.00 -0.93 -0.23 119.26 120.96 1nvm h ALA 246 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nvm h ALA 246 Cb 0.38 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nvm h ALA 246 CO 0.01 0.13 0.36 1.49 0.00 0.00 0.00 179.25 181.25 1nvm h GLU 247 N 0.79 0.79 -0.15 0.00 4.81 -0.86 0.44 114.58 120.40 1nvm h GLU 247 Ca 0.32 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1nvm h GLU 247 Cb 0.17 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1nvm h GLU 247 CO -0.17 0.56 -0.18 0.00 -0.73 0.00 0.00 179.01 178.49 1nvm h ARG 248 N 0.80 0.25 -0.00 1.92 2.47 -0.76 -1.63 114.38 117.43 1nvm h ARG 248 Ca 0.21 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1nvm h ARG 248 Cb -0.04 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1nvm h ARG 248 CO -0.04 0.43 -0.04 1.28 0.56 0.00 0.00 179.97 182.16 1nvm n LEU 249 N -4.22 0.17 -0.04 3.04 4.77 -0.14 -4.93 117.00 115.64 1nvm n LEU 249 Ca -0.01 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1nvm n LEU 249 Cb 0.31 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nvm n LEU 249 CO 0.39 0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.08 1nvm n GLY 250 N 1.27 0.43 3.80 -0.72 0.00 -0.60 -5.02 105.19 104.34 1nvm n GLY 250 Ca 0.15 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.02 3.25 -1.05 1.61 0.52 0.04 -4.72 118.94 116.58 1nvm s TRP 251 Ca 0.00 1.63 -0.19 0.00 0.02 0.00 0.00 56.10 57.57 1nvm s TRP 251 Cb 0.00 -3.00 0.11 0.00 -1.15 0.00 0.00 33.47 29.43 1nvm s TRP 251 CO 0.00 -0.43 1.33 1.21 0.02 0.00 0.00 176.95 179.09 1nvm s ASN 252 N -1.88 6.72 0.05 2.95 2.47 -0.58 -4.62 114.94 120.06 1nvm s ASN 252 Ca 0.61 -2.15 0.23 0.00 0.42 0.00 0.00 52.86 51.96 1nvm s ASN 252 Cb -0.16 -2.46 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 1nvm s ASN 252 CO 0.20 -1.11 0.95 0.00 -3.72 0.00 0.00 177.10 173.42 1nvm n HIS 253 N 7.11 0.28 -1.23 0.43 1.44 -1.26 -0.31 115.22 121.68 1nvm n HIS 253 Ca 0.31 0.08 -0.08 0.00 -2.01 0.00 0.00 57.72 56.03 1nvm n HIS 253 Cb 0.48 -0.47 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 1nvm n HIS 253 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nvm n GLY 254 N 1.34 0.91 3.73 -1.39 0.00 -1.26 -4.67 105.19 103.85 1nvm n GLY 254 Ca 0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.02 1.89 -0.51 2.61 -4.23 -1.26 -4.77 115.64 107.34 1nvm s THR 255 Ca 0.00 -1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 58.51 1nvm s THR 255 Cb 0.00 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1nvm s THR 255 CO 0.00 0.00 0.58 -0.62 -0.54 0.00 0.00 174.62 174.04 1nvm s ASP 256 N -3.89 6.20 0.16 3.99 2.15 -0.42 -4.97 116.67 119.88 1nvm s ASP 256 Ca 0.31 -1.12 -0.17 0.00 0.43 0.00 0.00 52.55 51.99 1nvm s ASP 256 Cb 0.04 -2.26 0.09 0.00 -0.30 0.00 0.00 42.92 40.49 1nvm s ASP 256 CO 0.17 -0.87 1.69 0.25 -0.17 0.00 0.00 175.17 176.24 1nvm h LEU 257 N 9.49 -0.25 -0.54 -1.34 5.85 -1.94 -2.79 115.31 123.79 1nvm h LEU 257 Ca -0.28 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1nvm h LEU 257 Cb 1.10 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1nvm h LEU 257 CO 0.97 -0.09 0.29 0.22 -0.34 0.00 0.00 178.44 179.49 1nvm h TYR 258 N 0.05 0.53 -0.84 1.25 3.20 -1.99 0.24 116.97 119.41 1nvm h TYR 258 Ca 0.18 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1nvm h TYR 258 Cb 0.27 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 1nvm h TYR 258 CO -0.30 0.26 0.54 1.15 -1.64 0.00 0.00 178.16 178.17 1nvm h THR 259 N 0.55 1.14 -0.55 1.81 2.02 -1.93 -1.83 112.91 114.13 1nvm h THR 259 Ca 0.24 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1nvm h THR 259 Cb 0.13 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1nvm h THR 259 CO -0.15 0.19 -0.11 -0.07 0.37 0.00 0.00 175.52 175.75 1nvm h LEU 260 N 1.05 1.05 -0.51 2.58 3.38 -1.11 -0.74 115.31 121.02 1nvm h LEU 260 Ca 0.33 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1nvm h LEU 260 Cb -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1nvm h LEU 260 CO -0.11 1.15 0.21 0.24 0.09 0.00 0.00 178.44 180.02 1nvm h MET 261 N 0.92 0.76 -0.44 1.13 2.86 -0.59 -0.16 114.93 119.41 1nvm h MET 261 Ca 0.14 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1nvm h MET 261 Cb 0.68 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1nvm h MET 261 CO 0.05 0.67 0.05 -0.44 1.06 0.00 0.00 176.91 178.30 1nvm h ASP 262 N 0.68 0.72 -0.57 1.22 3.32 -1.31 -2.87 116.42 117.61 1nvm h ASP 262 Ca 0.17 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1nvm h ASP 262 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1nvm h ASP 262 CO -0.01 0.81 0.18 0.00 -1.72 0.00 0.00 179.24 178.50 1nvm h ALA 263 N 0.93 0.74 -0.63 3.45 0.00 -0.87 0.13 119.26 123.01 1nvm h ALA 263 Ca 0.13 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1nvm h ALA 263 Cb 0.41 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1nvm h ALA 263 CO 0.01 0.40 0.26 0.00 0.00 0.00 0.00 179.25 179.92 1nvm h ALA 264 N 1.05 0.84 0.00 0.00 0.00 -0.89 -1.33 119.26 118.92 1nvm h ALA 264 Ca 0.18 0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 264 Cb 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1nvm h ALA 264 CO -0.01 -0.15 -1.93 -0.25 0.00 0.00 0.00 179.25 176.91 1nvm n ASP 265 N -4.96 0.54 0.01 0.00 9.92 -1.08 -1.06 116.55 119.92 1nvm n ASP 265 Ca 0.09 0.25 -0.01 0.00 -0.53 0.00 0.00 54.79 54.59 1nvm n ASP 265 Cb 0.27 0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 41.05 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 -2.90 0.75 -0.06 -2.24 8.00 0.44 -4.40 116.55 116.13 1nvm n ASP 266 Ca -0.21 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1nvm n ASP 266 Cb 1.05 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 42.40 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 -2.87 1.04 -0.07 0.53 5.41 -0.58 -4.83 119.36 118.00 1nvm n ILE 267 Ca -0.12 -0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.43 1nvm n ILE 267 Cb 0.88 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.89 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 -0.58 1.33 -0.83 1.39 2.07 -1.37 -3.38 116.25 114.89 1nvm h VAL 268 Ca -0.28 -2.06 0.17 0.00 0.82 0.00 0.00 66.70 65.36 1nvm h VAL 268 Cb 1.11 2.57 -0.11 0.00 -1.52 0.00 0.00 31.29 33.34 1nvm h VAL 268 CO -0.17 0.45 0.35 -0.09 0.02 0.00 0.00 177.57 178.14 1nvm h ARG 269 N -1.00 0.44 -0.03 1.57 2.43 -1.31 -0.99 114.38 115.49 1nvm h ARG 269 Ca -0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1nvm h ARG 269 Cb 0.85 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1nvm h ARG 269 CO -0.03 0.29 0.04 -1.35 -1.51 0.00 0.00 179.97 177.41 1nvm h PRO 270 N 0.45 0.00 0.00 0.20 0.11 -1.77 -1.39 132.00 129.60 1nvm h PRO 270 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1nvm h PRO 270 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1nvm h PRO 270 CO -0.45 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.27 1nvm h LEU 271 N 0.00 0.00 -9.78 2.35 3.38 -1.34 -3.45 115.31 106.47 1nvm h LEU 271 Ca 0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.47 1nvm h LEU 271 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.87 1nvm h LEU 271 CO -0.00 0.00 0.55 -1.10 0.09 0.00 0.00 178.44 177.98 1nvm s GLN 272 N -3.37 4.51 -0.17 1.13 -0.21 -0.53 -4.93 119.66 116.09 1nvm s GLN 272 Ca 0.05 1.95 0.04 0.00 0.02 0.00 0.00 55.36 57.42 1nvm s GLN 272 Cb 0.07 -3.17 -0.13 0.00 1.00 0.00 0.00 33.01 30.78 1nvm s GLN 272 CO 0.60 -0.00 -0.11 -0.40 -2.12 0.00 0.00 175.29 173.26 1nvm n ASP 273 N 1.52 2.38 -4.36 5.90 5.75 -1.26 -4.86 116.55 121.62 1nvm n ASP 273 Ca 0.01 -0.07 -0.37 0.00 -0.01 0.00 0.00 54.79 54.35 1nvm n ASP 273 Cb 0.44 -0.03 -0.13 0.00 -1.03 0.00 0.00 41.12 40.37 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 -2.35 3.21 0.23 0.11 3.00 -1.26 -5.05 118.95 116.84 1nvm s ARG 274 Ca -0.20 -0.77 -0.32 0.00 -1.00 0.00 0.00 55.73 53.44 1nvm s ARG 274 Cb 0.06 -3.33 -0.13 0.00 0.00 0.00 0.00 34.95 31.54 1nvm s ARG 274 CO 0.45 -0.38 1.48 -0.35 0.00 0.00 0.00 175.30 176.50 1nvm n PRO 275 N 4.87 2.17 -2.81 5.12 -0.04 -1.26 -4.90 135.00 138.15 1nvm n PRO 275 Ca -0.15 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 1nvm n PRO 275 Cb 0.49 -2.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 1nvm n PRO 275 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nvm s VAL 276 N 0.21 4.27 0.21 0.52 1.01 -1.26 -4.93 120.40 120.43 1nvm s VAL 276 Ca 0.70 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1nvm s VAL 276 Cb -0.63 -4.74 0.02 0.00 0.00 0.00 0.00 36.38 31.03 1nvm s VAL 276 CO 0.46 -1.54 0.52 0.00 0.00 0.00 0.00 175.10 174.55 1nvm s ARG 277 N 4.17 1.44 -0.29 2.72 1.70 -1.26 -4.88 118.95 122.55 1nvm s ARG 277 Ca 0.26 -0.97 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 1nvm s ARG 277 Cb -0.14 0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1nvm s ARG 277 CO 0.08 -0.61 0.82 0.08 -1.08 0.00 0.00 175.30 174.58 1nvm s VAL 278 N -3.91 4.79 0.00 4.99 1.01 -1.26 -4.35 120.40 121.67 1nvm s VAL 278 Ca 0.12 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1nvm s VAL 278 Cb -0.01 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1nvm s VAL 278 CO 0.00 -0.21 0.00 -0.90 0.00 0.00 0.00 175.10 173.99 1nvm n ASP 279 N 6.19 0.00 -0.14 3.32 5.68 -1.26 -4.93 116.55 125.41 1nvm n ASP 279 Ca 0.05 -0.92 -0.03 0.00 -0.50 0.00 0.00 54.79 53.38 1nvm n ASP 279 Cb 0.48 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.08 -0.23 0.11 2.43 -1.98 0.23 114.38 115.02 1nvm h ARG 280 Ca 0.00 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1nvm h ARG 280 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1nvm h ARG 280 CO 0.00 0.06 -0.53 0.93 -1.51 0.00 0.00 179.97 178.91 1nvm h GLU 281 N 0.09 0.76 0.00 0.20 3.07 -1.96 -1.70 114.58 115.04 1nvm h GLU 281 Ca 0.22 -0.52 -0.18 0.00 -0.50 0.00 0.00 59.36 58.39 1nvm h GLU 281 Cb 0.33 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1nvm h GLU 281 CO -0.39 1.14 -0.83 1.79 -1.40 0.00 0.00 179.01 179.32 1nvm h THR 282 N 0.49 1.57 -0.43 1.13 1.35 -1.78 -2.57 112.91 112.69 1nvm h THR 282 Ca -0.00 -2.77 -0.10 0.00 -0.55 0.00 0.00 66.41 62.98 1nvm h THR 282 Cb 1.15 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 70.05 1nvm h THR 282 CO 0.12 0.79 -0.14 0.25 -0.25 0.00 0.00 175.52 176.29 1nvm h LEU 283 N 0.01 0.79 -1.15 3.87 5.85 -0.59 -2.52 115.31 121.57 1nvm h LEU 283 Ca -0.01 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1nvm h LEU 283 Cb 1.45 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1nvm h LEU 283 CO 0.11 0.94 0.58 1.23 -0.34 0.00 0.00 178.44 180.96 1nvm h GLY 284 N 0.97 1.29 0.66 3.75 0.00 -0.92 0.17 103.07 108.98 1nvm h GLY 284 Ca 0.11 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.07 1nvm h GLY 284 CO 0.04 0.33 0.19 1.41 0.00 0.00 0.00 176.54 178.51 1nvm h LEU 285 N 1.05 0.24 -0.32 3.11 3.38 -1.12 -0.51 115.31 121.14 1nvm h LEU 285 Ca 0.37 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.20 1nvm h LEU 285 Cb 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nvm h LEU 285 CO -0.13 0.17 -0.53 1.23 0.09 0.00 0.00 178.44 179.27 1nvm h GLY 286 N 0.38 0.96 0.94 0.83 0.00 -1.26 0.23 103.07 105.15 1nvm h GLY 286 Ca 0.21 -1.11 -0.06 0.00 0.00 0.00 0.00 47.33 46.37 1nvm h GLY 286 CO -0.18 0.99 0.01 -1.82 0.00 0.00 0.00 176.54 175.54 1nvm h TYR 287 N 0.68 0.74 0.00 5.60 5.03 -0.52 -3.13 116.97 125.36 1nvm h TYR 287 Ca 0.02 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1nvm h TYR 287 Cb 1.14 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1nvm h TYR 287 CO 0.07 0.75 -0.35 0.00 -1.32 0.00 0.00 178.16 177.32 1nvm n ALA 288 N -2.39 3.04 -2.70 1.82 0.00 -0.22 -4.97 120.51 115.08 1nvm n ALA 288 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1nvm n ALA 288 Cb 0.28 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 1.47 0.16 3.72 0.00 0.00 0.67 -4.65 105.19 106.56 1nvm n GLY 289 Ca 0.06 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.15 4.64 -0.10 1.61 1.01 -0.30 -4.82 120.40 119.30 1nvm s VAL 290 Ca 0.07 -0.12 -0.38 0.00 0.00 0.00 0.00 61.98 61.55 1nvm s VAL 290 Cb -0.03 -2.98 -0.15 0.00 0.00 0.00 0.00 36.38 33.21 1nvm s VAL 290 CO 0.31 0.59 1.61 0.00 0.00 0.00 0.00 175.10 177.61 1nvm n TYR 291 N 2.26 1.91 0.19 5.22 9.36 -1.26 -4.26 117.16 130.58 1nvm n TYR 291 Ca -0.19 0.49 0.05 0.00 3.32 0.00 0.00 57.90 61.57 1nvm n TYR 291 Cb 0.54 -2.44 0.49 0.00 -0.63 0.00 0.00 39.34 37.30 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 6.41 0.08 0.32 2.98 0.02 -1.63 -1.31 113.55 120.43 1nvm h SER 292 Ca -0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1nvm h SER 292 Cb 1.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1nvm h SER 292 CO 0.89 0.21 0.00 -1.54 -1.14 0.00 0.00 176.83 175.25 1nvm n SER 293 N -4.35 0.12 0.08 3.07 3.41 -1.26 -1.83 113.62 112.86 1nvm n SER 293 Ca -0.02 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.24 1nvm n SER 293 Cb 0.22 -0.56 0.44 0.00 -0.26 0.00 0.00 64.21 64.04 1nvm n SER 293 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nvm n PHE 294 N -1.64 0.53 0.14 7.33 3.01 -0.49 -4.14 117.46 122.20 1nvm n PHE 294 Ca 0.02 0.20 -0.15 0.00 1.01 0.00 0.00 57.45 58.53 1nvm n PHE 294 Cb 0.11 -0.82 -0.09 0.00 -0.01 0.00 0.00 39.48 38.67 1nvm n PHE 294 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1nvm h LEU 295 N 0.00 -1.34 -1.07 4.37 5.85 -1.57 0.48 115.31 122.03 1nvm h LEU 295 Ca 0.00 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1nvm h LEU 295 Cb 0.37 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1nvm h LEU 295 CO 0.00 -0.51 -0.20 0.03 -0.34 0.00 0.00 178.44 177.41 1nvm h ARG 296 N -0.72 0.41 -0.50 1.25 2.47 -1.85 -0.77 114.38 114.68 1nvm h ARG 296 Ca -0.02 -0.13 -0.11 0.00 -1.26 0.00 0.00 59.98 58.46 1nvm h ARG 296 Cb 0.69 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1nvm h ARG 296 CO -0.19 0.60 -0.12 0.45 0.56 0.00 0.00 179.97 181.27 1nvm h HIS 297 N 0.37 1.05 -0.40 3.04 3.86 -1.68 -1.05 115.15 120.35 1nvm h HIS 297 Ca 0.06 -0.21 -0.13 0.00 -1.16 0.00 0.00 60.37 58.93 1nvm h HIS 297 Cb 0.57 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1nvm h HIS 297 CO 0.02 0.99 -0.27 0.00 0.86 0.00 0.00 177.93 179.52 1nvm h ALA 298 N 1.02 0.76 -0.43 2.45 0.00 -0.49 -1.64 119.26 120.94 1nvm h ALA 298 Ca 0.13 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1nvm h ALA 298 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nvm h ALA 298 CO 0.05 0.66 -0.08 0.93 0.00 0.00 0.00 179.25 180.80 1nvm h GLU 299 N 0.72 0.74 -0.44 0.00 5.08 -0.84 0.94 114.58 120.78 1nvm h GLU 299 Ca 0.09 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1nvm h GLU 299 Cb 0.82 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1nvm h GLU 299 CO 0.07 0.81 0.17 0.82 -1.00 0.00 0.00 179.01 179.88 1nvm h ILE 300 N 0.68 1.21 -0.56 3.13 2.04 -1.13 -1.41 117.51 121.46 1nvm h ILE 300 Ca 0.12 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 1nvm h ILE 300 Cb 0.54 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1nvm h ILE 300 CO 0.03 0.24 -0.08 0.00 0.00 0.00 0.00 178.15 178.33 1nvm h ALA 301 N 1.02 0.78 -0.84 1.87 0.00 -1.03 0.46 119.26 121.52 1nvm h ALA 301 Ca 0.15 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nvm h ALA 301 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nvm h ALA 301 CO -0.01 0.68 0.55 0.00 0.00 0.00 0.00 179.25 180.46 1nvm h ALA 302 N 0.95 1.08 -0.22 0.00 0.00 -0.59 0.28 119.26 120.75 1nvm h ALA 302 Ca 0.15 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1nvm h ALA 302 Cb 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nvm h ALA 302 CO 0.05 0.44 -0.52 0.00 0.00 0.00 0.00 179.25 179.22 1nvm h ALA 303 N 1.32 0.36 -0.28 0.00 0.00 -1.04 0.33 119.26 119.94 1nvm h ALA 303 Ca 0.32 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1nvm h ALA 303 Cb -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nvm h ALA 303 CO -0.08 0.55 -0.10 -0.22 0.00 0.00 0.00 179.25 179.39 1nvm h LYS 304 N 0.46 0.57 -0.09 0.00 3.64 -0.43 -3.25 116.57 117.47 1nvm h LYS 304 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1nvm h LYS 304 Cb 1.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1nvm h LYS 304 CO 0.11 0.79 0.00 0.66 -2.27 0.00 0.00 179.45 178.75 1nvm n TYR 305 N -4.46 0.09 -2.91 1.91 4.01 0.93 -4.98 117.16 111.74 1nvm n TYR 305 Ca -0.03 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.90 57.55 1nvm n TYR 305 Cb 0.34 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.43 1nvm n TYR 305 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nvm n ASN 306 N 0.74 -4.11 -4.31 7.72 5.15 -0.20 -5.02 115.26 115.23 1nvm n ASN 306 Ca 0.17 -0.50 -0.16 0.00 -0.60 0.00 0.00 54.58 53.48 1nvm n ASN 306 Cb 0.46 -3.99 -0.10 0.00 -0.53 0.00 0.00 39.78 35.62 1nvm n ASN 306 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nvm s LEU 307 N -4.97 1.95 -0.05 1.20 1.43 -0.07 -5.04 118.68 113.13 1nvm s LEU 307 Ca 0.21 -1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 51.78 1nvm s LEU 307 Cb -0.03 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 1nvm s LEU 307 CO 0.55 -0.62 0.72 -0.54 0.23 0.00 0.00 176.35 176.69 1nvm s LYS 308 N -3.95 4.45 0.23 1.70 1.02 -1.26 -4.50 119.74 117.43 1nvm s LYS 308 Ca 0.32 0.92 -0.07 0.00 0.02 0.00 0.00 55.97 57.16 1nvm s LYS 308 Cb 0.07 -3.44 0.34 0.00 -0.52 0.00 0.00 37.83 34.27 1nvm s LYS 308 CO 0.10 0.07 1.78 1.15 -0.92 0.00 0.00 175.35 177.53 1nvm h THR 309 N 4.72 0.85 -0.88 2.17 2.02 -1.92 -1.80 112.91 118.07 1nvm h THR 309 Ca -0.41 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 66.63 1nvm h THR 309 Cb 1.20 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1nvm h THR 309 CO 0.75 0.11 0.54 0.25 0.37 0.00 0.00 175.52 177.55 1nvm h LEU 310 N 0.61 0.84 -0.63 2.58 5.85 -1.92 -1.37 115.31 121.26 1nvm h LEU 310 Ca 0.35 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1nvm h LEU 310 Cb 0.36 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1nvm h LEU 310 CO -0.27 0.52 0.29 0.44 -0.34 0.00 0.00 178.44 179.09 1nvm h ASP 311 N 0.97 0.83 -0.44 1.25 3.32 -1.75 0.13 116.42 120.74 1nvm h ASP 311 Ca 0.39 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.33 1nvm h ASP 311 Cb 0.23 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1nvm h ASP 311 CO -0.19 0.74 0.26 0.40 -1.72 0.00 0.00 179.24 178.73 1nvm h ILE 312 N 0.87 1.04 -0.49 0.35 2.04 -1.12 -2.22 117.51 117.97 1nvm h ILE 312 Ca 0.21 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 1nvm h ILE 312 Cb 0.14 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1nvm h ILE 312 CO -0.02 0.09 -0.05 -0.07 0.00 0.00 0.00 178.15 178.10 1nvm h LEU 313 N 0.52 0.90 -0.78 1.44 3.38 -0.97 -0.65 115.31 119.15 1nvm h LEU 313 Ca 0.18 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1nvm h LEU 313 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1nvm h LEU 313 CO -0.09 1.02 0.41 0.58 0.09 0.00 0.00 178.44 180.45 1nvm h VAL 314 N 0.76 1.24 -0.19 1.22 2.07 -0.92 -1.21 116.25 119.22 1nvm h VAL 314 Ca 0.13 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1nvm h VAL 314 Cb 0.59 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1nvm h VAL 314 CO 0.04 0.27 -0.35 -0.08 0.02 0.00 0.00 177.57 177.46 1nvm h GLU 315 N 1.08 0.42 -0.79 1.57 4.57 -1.11 -1.68 114.58 118.64 1nvm h GLU 315 Ca 0.27 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1nvm h GLU 315 Cb 0.06 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1nvm h GLU 315 CO -0.04 0.72 0.31 -0.07 -1.18 0.00 0.00 179.01 178.75 1nvm h LEU 316 N 0.35 1.09 -0.88 1.64 3.38 -0.38 -0.66 115.31 119.85 1nvm h LEU 316 Ca 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1nvm h LEU 316 Cb 0.79 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1nvm h LEU 316 CO 0.06 0.97 0.37 1.23 0.09 0.00 0.00 178.44 181.16 1nvm h GLY 317 N 1.15 1.26 1.30 0.83 0.00 -0.99 -2.21 103.07 104.42 1nvm h GLY 317 Ca 0.26 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1nvm h GLY 317 CO -0.02 0.61 0.11 0.84 0.00 0.00 0.00 176.54 178.08 1nvm h HIS 318 N 1.16 0.90 0.00 5.60 -0.00 -0.58 -2.26 115.15 119.97 1nvm h HIS 318 Ca 0.28 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1nvm h HIS 318 Cb 0.15 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1nvm h HIS 318 CO 0.02 0.77 0.00 0.54 -0.00 0.00 0.00 177.93 179.25 1nvm n ARG 319 N -4.26 0.32 -3.58 5.26 1.74 -0.32 -4.92 116.66 110.91 1nvm n ARG 319 Ca 0.04 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 1nvm n ARG 319 Cb 0.24 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 1nvm n ARG 319 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1nvm n ARG 320 N -1.31 -5.47 -2.07 5.56 1.74 -0.85 -4.97 116.66 109.30 1nvm n ARG 320 Ca 0.11 0.72 -0.33 0.00 -0.77 0.00 0.00 57.85 57.58 1nvm n ARG 320 Cb 0.21 -5.46 0.01 0.00 -1.02 0.00 0.00 32.46 26.19 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 -5.68 3.37 0.49 5.56 -1.94 -1.18 -5.06 119.30 114.86 1nvm s MET 321 Ca 0.02 1.18 0.04 0.00 -1.71 0.00 0.00 55.69 55.22 1nvm s MET 321 Cb -0.00 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.78 1nvm s MET 321 CO 0.78 -0.77 0.11 0.14 -0.01 0.00 0.00 175.02 175.27 1nvm s VAL 322 N -2.47 1.51 0.45 -6.03 -7.23 -1.26 -4.75 120.40 100.61 1nvm s VAL 322 Ca 0.63 -1.85 -0.24 0.00 -1.81 0.00 0.00 61.98 58.71 1nvm s VAL 322 Cb -0.16 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1nvm s VAL 322 CO 0.37 0.00 1.06 0.61 -0.31 0.00 0.00 175.10 176.83 1nvm n GLY 323 N -1.33 -0.05 2.58 2.32 0.00 -1.26 -2.60 105.19 104.85 1nvm n GLY 323 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.11 1.23 2.17 -0.02 0.00 -1.26 -4.94 105.19 103.48 1nvm n GLY 324 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 2.27 0.21 1.61 6.02 -1.07 -4.60 117.38 119.82 1nvm n GLN 325 Ca 0.00 -2.46 0.15 0.00 -0.01 0.00 0.00 57.00 54.68 1nvm n GLN 325 Cb 0.00 -1.97 0.78 0.00 1.02 0.00 0.00 30.24 30.07 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 1.86 0.00 0.00 -1.09 3.07 -1.87 -0.49 114.58 116.06 1nvm h GLU 326 Ca 0.45 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.27 1nvm h GLU 326 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1nvm h GLU 326 CO 1.17 0.00 -0.19 0.38 -1.40 0.00 0.00 179.01 178.97 1nvm h ASP 327 N 0.00 0.00 0.74 1.42 2.03 -1.85 -1.38 116.42 117.38 1nvm h ASP 327 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1nvm h ASP 327 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1nvm h ASP 327 CO -0.00 0.19 0.00 0.24 -1.03 0.00 0.00 179.24 178.64 1nvm h MET 328 N 0.00 0.00 -0.43 4.15 2.86 -1.47 -2.89 114.93 117.15 1nvm h MET 328 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1nvm h MET 328 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1nvm h MET 328 CO 0.03 0.00 0.12 0.82 1.06 0.00 0.00 176.91 178.93 1nvm h ILE 329 N 0.00 1.23 -0.21 -1.22 2.04 -1.35 0.17 117.51 118.17 1nvm h ILE 329 Ca 0.00 -0.77 -0.16 0.00 1.00 0.00 0.00 64.86 64.93 1nvm h ILE 329 Cb 0.37 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1nvm h ILE 329 CO 0.00 0.27 -0.53 0.58 0.00 0.00 0.00 178.15 178.47 1nvm h VAL 330 N 0.55 1.31 -0.26 1.67 2.07 -1.66 -0.99 116.25 118.94 1nvm h VAL 330 Ca 0.14 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 65.92 1nvm h VAL 330 Cb 0.30 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1nvm h VAL 330 CO -0.00 0.55 0.09 -0.78 0.02 0.00 0.00 177.57 177.45 1nvm h ASP 331 N 0.47 0.09 -0.64 0.57 3.58 -1.32 -0.16 116.42 119.01 1nvm h ASP 331 Ca 0.01 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1nvm h ASP 331 Cb 1.08 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 1nvm h ASP 331 CO 0.10 0.09 0.18 0.58 -2.88 0.00 0.00 179.24 177.30 1nvm h VAL 332 N 0.20 1.25 -0.40 2.25 2.07 -0.43 -1.45 116.25 119.74 1nvm h VAL 332 Ca 0.12 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1nvm h VAL 332 Cb 0.09 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1nvm h VAL 332 CO -0.12 0.34 0.26 0.00 0.02 0.00 0.00 177.57 178.07 1nvm h ALA 333 N 1.06 0.51 -0.48 1.67 0.00 -0.69 0.96 119.26 122.29 1nvm h ALA 333 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1nvm h ALA 333 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nvm h ALA 333 CO -0.00 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.09 1nvm h LEU 334 N 0.53 0.80 -0.54 0.00 3.38 -0.86 -1.25 115.31 117.38 1nvm h LEU 334 Ca 0.15 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1nvm h LEU 334 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1nvm h LEU 334 CO -0.04 0.89 -0.11 0.44 0.09 0.00 0.00 178.44 179.72 1nvm h ASP 335 N 0.76 1.04 -0.54 -0.43 3.32 -0.82 -1.73 116.42 118.03 1nvm h ASP 335 Ca 0.14 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1nvm h ASP 335 Cb 0.52 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1nvm h ASP 335 CO 0.03 1.15 0.35 -0.07 -1.72 0.00 0.00 179.24 178.98 1nvm h LEU 336 N 0.91 0.61 -0.22 1.55 3.38 -0.38 0.17 115.31 121.32 1nvm h LEU 336 Ca 0.14 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1nvm h LEU 336 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1nvm h LEU 336 CO 0.05 0.44 -0.00 -0.07 0.09 0.00 0.00 178.44 178.95 1nvm h LEU 337 N 0.72 -0.08 -0.59 1.67 3.38 -1.10 -0.02 115.31 119.29 1nvm h LEU 337 Ca 0.20 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1nvm h LEU 337 Cb -0.07 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1nvm h LEU 337 CO -0.05 -0.01 0.31 0.00 0.09 0.00 0.00 178.44 178.78 1nvm h ALA 338 N 1.19 0.75 -0.95 1.53 0.00 -0.67 -2.19 119.26 118.92 1nvm h ALA 338 Ca 0.10 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 338 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1nvm h ALA 338 CO -0.17 0.28 0.63 0.00 0.00 0.00 0.00 179.25 179.98 1nvm h ALA 339 N 1.14 1.37 -0.04 0.00 0.00 -0.40 -1.69 119.26 119.63 1nvm h ALA 339 Ca 0.21 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 339 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nvm h ALA 339 CO -0.03 0.55 -0.46 0.45 0.00 0.00 0.00 179.25 179.76 1nvm h HIS 340 N 1.22 0.11 -0.02 0.00 -0.00 -0.54 -3.51 115.15 112.41 1nvm h HIS 340 Ca 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1nvm h HIS 340 Cb -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1nvm h HIS 340 CO -0.00 0.54 0.00 1.63 -0.00 0.00 0.00 177.93 180.10