#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvm s PHE 3 N 0.00 3.11 -0.12 -1.42 2.19 -1.26 -5.03 117.98 115.44 1nvm s PHE 3 Ca 0.00 1.58 -0.05 0.00 0.33 0.00 0.00 56.93 58.79 1nvm s PHE 3 Cb 0.00 -2.98 0.06 0.00 -1.31 0.00 0.00 43.02 38.79 1nvm s PHE 3 CO 0.00 -0.58 0.26 1.21 1.83 0.00 0.00 175.22 177.94 1nvm s ASN 4 N -2.10 0.21 0.00 6.13 3.04 -1.26 -5.07 114.94 115.89 1nvm s ASN 4 Ca 0.65 0.58 0.25 0.00 0.04 0.00 0.00 52.86 54.39 1nvm s ASN 4 Cb -0.14 0.64 0.50 0.00 -1.54 0.00 0.00 41.25 40.71 1nvm s ASN 4 CO 0.18 -0.22 1.41 -0.81 -3.04 0.00 0.00 177.10 174.62 1nvm n PRO 5 N 5.10 1.38 0.05 0.43 -0.04 -1.26 -3.82 135.00 136.84 1nvm n PRO 5 Ca -0.10 -0.99 0.13 0.00 -0.04 0.00 0.00 63.50 62.49 1nvm n PRO 5 Cb 0.50 -1.48 0.37 0.00 -0.04 0.00 0.00 33.50 32.85 1nvm n PRO 5 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nvm n SER 6 N 0.06 0.54 -4.63 3.54 3.41 -1.26 -3.35 113.62 111.93 1nvm n SER 6 Ca 0.13 0.31 -0.52 0.00 -0.26 0.00 0.00 58.87 58.53 1nvm n SER 6 Cb 0.43 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1nvm n SER 6 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nvm n LYS 7 N -1.92 1.41 -2.33 4.33 4.81 -1.25 -4.73 118.16 118.47 1nvm n LYS 7 Ca 0.05 0.51 -0.42 0.00 -0.87 0.00 0.00 58.31 57.58 1nvm n LYS 7 Cb 0.40 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 33.22 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 1.29 4.31 0.36 1.64 2.20 -1.26 -4.24 119.74 124.04 1nvm s LYS 8 Ca 0.86 1.84 -0.12 0.00 -0.36 0.00 0.00 55.97 58.18 1nvm s LYS 8 Cb -0.90 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 31.78 1nvm s LYS 8 CO 0.48 -0.51 0.74 -0.51 -0.36 0.00 0.00 175.35 175.19 1nvm s LEU 9 N 2.29 3.96 -0.27 5.43 1.43 0.08 -5.04 118.68 126.56 1nvm s LEU 9 Ca 0.60 1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 1nvm s LEU 9 Cb -0.28 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1nvm s LEU 9 CO 0.25 -0.29 0.12 -0.47 0.23 0.00 0.00 176.35 176.18 1nvm s TYR 10 N -2.16 3.14 -0.37 0.29 6.14 -0.79 -4.77 117.35 118.82 1nvm s TYR 10 Ca 0.52 -0.26 -0.13 0.00 0.64 0.00 0.00 57.07 57.84 1nvm s TYR 10 Cb -0.10 -2.30 0.01 0.00 0.42 0.00 0.00 41.96 39.99 1nvm s TYR 10 CO 0.25 -0.30 0.24 0.42 0.64 0.00 0.00 175.55 176.79 1nvm s ILE 11 N 1.66 4.99 -0.38 3.14 -1.09 -1.26 -1.56 121.20 126.70 1nvm s ILE 11 Ca 0.06 -0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 1nvm s ILE 11 Cb -0.16 -3.71 0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1nvm s ILE 11 CO 0.06 -0.18 0.19 -0.55 -1.23 0.00 0.00 174.94 173.23 1nvm s SER 12 N 1.64 5.62 0.07 3.58 0.15 -0.46 -1.27 113.70 123.05 1nvm s SER 12 Ca 0.04 -1.14 -0.24 0.00 0.70 0.00 0.00 55.95 55.31 1nvm s SER 12 Cb -0.18 -1.98 -0.06 0.00 -1.71 0.00 0.00 66.02 62.08 1nvm s SER 12 CO 0.09 -0.41 0.73 -0.62 1.20 0.00 0.00 173.24 174.23 1nvm s ASP 13 N 1.63 7.22 -0.15 5.45 -1.08 -0.42 -1.61 116.67 127.72 1nvm s ASP 13 Ca 0.01 1.45 0.16 0.00 -0.52 0.00 0.00 52.55 53.66 1nvm s ASP 13 Cb -0.20 -2.45 0.32 0.00 -1.46 0.00 0.00 42.92 39.12 1nvm s ASP 13 CO 0.05 0.10 1.16 1.33 0.52 0.00 0.00 175.17 178.33 1nvm n VAL 14 N 2.37 1.88 -0.37 1.11 0.24 0.38 -0.87 118.33 123.08 1nvm n VAL 14 Ca -0.05 -2.44 -0.00 0.00 -2.04 0.00 0.00 64.34 59.81 1nvm n VAL 14 Cb 0.50 -0.19 0.14 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.63 1.21 -0.46 3.34 2.02 -1.81 0.76 112.91 118.60 1nvm h THR 15 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1nvm h THR 15 Cb 1.03 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1nvm h THR 15 CO 0.00 0.24 0.00 0.18 0.37 0.00 0.00 175.52 176.31 1nvm n LEU 16 N -4.42 3.36 0.01 2.58 4.77 -1.24 -2.71 117.00 119.36 1nvm n LEU 16 Ca 0.13 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1nvm n LEU 16 Cb 0.06 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1nvm n LEU 16 CO 0.36 0.61 0.00 -1.14 -1.33 0.00 0.00 177.39 175.89 1nvm n ARG 17 N 0.76 0.00 -0.11 3.23 0.00 -0.73 -2.95 116.66 116.86 1nvm n ARG 17 Ca 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1nvm n ARG 17 Cb 0.63 -0.03 0.27 0.00 0.00 0.00 0.00 32.46 33.33 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 0.70 0.28 6.15 -0.00 -1.11 -1.64 116.42 120.79 1nvm h ASP 18 Ca 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.03 56.93 1nvm h ASP 18 Cb 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 39.33 39.15 1nvm h ASP 18 CO 0.00 0.61 -0.12 1.23 -0.00 0.00 0.00 179.24 180.96 1nvm h GLY 19 N 0.88 0.00 0.39 -0.78 0.00 -1.23 -1.71 103.07 100.62 1nvm h GLY 19 Ca 0.19 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.69 1nvm h GLY 19 CO -0.02 0.00 0.59 0.23 0.00 0.00 0.00 176.54 177.33 1nvm h SER 20 N 0.00 0.58 -0.80 0.19 0.87 -1.37 -1.29 113.55 111.72 1nvm h SER 20 Ca -0.00 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 1nvm h SER 20 Cb 0.29 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.12 1nvm h SER 20 CO 0.02 0.26 0.45 0.45 -0.53 0.00 0.00 176.83 177.48 1nvm h HIS 21 N 0.60 0.81 0.00 2.24 -0.00 -1.44 0.39 115.15 117.76 1nvm h HIS 21 Ca 0.47 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.81 1nvm h HIS 21 Cb 0.91 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 1nvm h HIS 21 CO -0.00 0.33 -0.31 0.00 -0.00 0.00 0.00 177.93 177.95 1nvm h ALA 22 N 1.45 1.36 -0.55 2.45 0.00 -1.38 -2.77 119.26 119.82 1nvm h ALA 22 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nvm h ALA 22 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1nvm h ALA 22 CO -0.25 0.38 0.00 1.51 0.00 0.00 0.00 179.25 180.89 1nvm n ILE 23 N -3.99 1.48 -3.95 0.00 3.06 -1.07 -4.69 119.36 110.21 1nvm n ILE 23 Ca -0.02 -1.18 -0.31 0.00 -2.50 0.00 0.00 62.75 58.75 1nvm n ILE 23 Cb 0.37 0.27 0.02 0.00 0.54 0.00 0.00 39.64 40.84 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 0.90 -5.17 -3.11 9.51 1.74 -0.88 -1.87 116.66 117.78 1nvm n ARG 24 Ca 0.21 0.57 -0.23 0.00 -0.77 0.00 0.00 57.85 57.63 1nvm n ARG 24 Cb 0.71 -5.41 0.04 0.00 -1.02 0.00 0.00 32.46 26.78 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 -4.63 -2.09 -1.18 -1.55 8.25 0.08 -4.80 115.22 109.30 1nvm n HIS 25 Ca 0.03 0.59 -0.02 0.00 -0.26 0.00 0.00 57.72 58.06 1nvm n HIS 25 Cb 0.53 -4.53 0.24 0.00 1.12 0.00 0.00 29.99 27.36 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 2.69 -1.71 -0.41 1.13 -0.78 -1.33 117.38 112.80 1nvm n GLN 26 Ca -0.09 -3.03 -0.41 0.00 -1.94 0.00 0.00 57.00 51.53 1nvm n GLN 26 Cb 0.61 -1.95 0.01 0.00 0.11 0.00 0.00 30.24 29.03 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 -0.69 2.18 -2.58 1.08 4.01 -1.26 -4.88 117.16 115.02 1nvm n TYR 27 Ca 0.33 0.49 -0.24 0.00 -0.16 0.00 0.00 57.90 58.32 1nvm n TYR 27 Cb 1.12 -2.38 0.03 0.00 -0.31 0.00 0.00 39.34 37.80 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 -1.21 3.22 0.28 -0.72 -4.23 -1.26 -4.64 115.64 107.09 1nvm s THR 28 Ca 0.62 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1nvm s THR 28 Cb -0.49 -3.25 0.08 0.00 1.34 0.00 0.00 72.50 70.17 1nvm s THR 28 CO 0.57 -0.22 1.74 -0.07 -0.54 0.00 0.00 174.62 176.11 1nvm h LEU 29 N -0.04 0.54 -1.09 4.79 3.38 -1.98 -2.25 115.31 118.65 1nvm h LEU 29 Ca -0.44 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1nvm h LEU 29 Cb 1.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1nvm h LEU 29 CO 0.57 0.73 -0.04 -0.78 0.09 0.00 0.00 178.44 179.02 1nvm h ASP 30 N 0.49 0.57 -0.06 -0.43 1.82 -1.99 -1.17 116.42 115.64 1nvm h ASP 30 Ca 0.08 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1nvm h ASP 30 Cb 0.60 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1nvm h ASP 30 CO 0.04 0.67 0.03 0.44 -1.61 0.00 0.00 179.24 178.81 1nvm h ASP 31 N 0.56 0.08 0.33 2.28 3.32 -1.82 -1.08 116.42 120.09 1nvm h ASP 31 Ca 0.11 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1nvm h ASP 31 Cb 0.42 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1nvm h ASP 31 CO 0.02 0.16 -0.37 -0.37 -1.72 0.00 0.00 179.24 176.96 1nvm h VAL 32 N -0.01 1.27 -0.37 -1.35 -1.51 -1.15 -1.32 116.25 111.81 1nvm h VAL 32 Ca 0.02 -1.30 -0.11 0.00 -1.23 0.00 0.00 66.70 64.09 1nvm h VAL 32 Cb 0.10 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1nvm h VAL 32 CO -0.00 0.38 -0.19 0.03 -1.23 0.00 0.00 177.57 176.56 1nvm h ARG 33 N 0.05 0.77 -0.48 5.19 3.08 -0.88 -0.70 114.38 121.41 1nvm h ARG 33 Ca 0.00 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1nvm h ARG 33 Cb 0.67 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1nvm h ARG 33 CO 0.05 0.96 0.19 0.00 -1.07 0.00 0.00 179.97 180.10 1nvm h ALA 34 N 0.79 0.62 -0.30 0.04 0.00 -0.99 0.09 119.26 119.52 1nvm h ALA 34 Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1nvm h ALA 34 Cb 0.73 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nvm h ALA 34 CO 0.06 0.23 -0.32 0.82 0.00 0.00 0.00 179.25 180.04 1nvm h ILE 35 N 0.63 1.30 -0.61 0.00 2.04 -1.25 -2.18 117.51 117.44 1nvm h ILE 35 Ca 0.16 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 1nvm h ILE 35 Cb 0.20 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1nvm h ILE 35 CO -0.01 0.48 0.31 0.00 0.00 0.00 0.00 178.15 178.93 1nvm h ALA 36 N 0.71 0.78 -0.65 1.87 0.00 -0.98 -0.96 119.26 120.04 1nvm h ALA 36 Ca 0.05 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nvm h ALA 36 Cb 0.89 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1nvm h ALA 36 CO 0.08 0.32 0.36 0.00 0.00 0.00 0.00 179.25 180.00 1nvm h ARG 37 N 0.83 0.65 -0.37 0.00 3.08 -0.88 -0.51 114.38 117.18 1nvm h ARG 37 Ca 0.21 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1nvm h ARG 37 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1nvm h ARG 37 CO -0.03 0.43 -0.00 0.00 -1.07 0.00 0.00 179.97 179.29 1nvm h ALA 38 N 1.34 0.49 -0.44 0.04 0.00 -1.06 -1.20 119.26 118.44 1nvm h ALA 38 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1nvm h ALA 38 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nvm h ALA 38 CO -0.18 0.26 0.04 -0.07 0.00 0.00 0.00 179.25 179.31 1nvm h LEU 39 N 0.46 0.65 -0.40 0.00 3.38 -0.90 -0.93 115.31 117.58 1nvm h LEU 39 Ca 0.10 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1nvm h LEU 39 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1nvm h LEU 39 CO 0.02 0.69 -0.20 -0.78 0.09 0.00 0.00 178.44 178.26 1nvm h ASP 40 N 0.66 0.87 -0.50 -0.43 3.58 -1.01 -2.32 116.42 117.28 1nvm h ASP 40 Ca 0.14 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 1nvm h ASP 40 Cb 0.35 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1nvm h ASP 40 CO 0.01 1.09 0.25 0.50 -2.88 0.00 0.00 179.24 178.21 1nvm h LYS 41 N 0.66 0.75 0.00 0.28 3.64 -0.88 -1.87 116.57 119.15 1nvm h LYS 41 Ca 0.09 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nvm h LYS 41 Cb 0.76 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1nvm h LYS 41 CO 0.06 0.59 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 1nvm n ALA 42 N -2.46 2.25 -2.80 5.00 0.00 -0.38 -4.84 120.51 117.28 1nvm n ALA 42 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1nvm n ALA 42 Cb 0.13 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.31 -3.23 -1.26 0.00 5.02 -0.70 -1.51 118.16 115.17 1nvm n LYS 43 Ca 0.11 0.50 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 1nvm n LYS 43 Cb 0.21 -4.51 0.10 0.00 -0.02 0.00 0.00 35.03 30.81 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 -2.97 2.99 0.12 -0.18 -7.23 -1.11 -4.61 120.40 107.41 1nvm s VAL 44 Ca 0.21 0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.71 1nvm s VAL 44 Cb -0.09 -2.77 -0.20 0.00 0.56 0.00 0.00 36.38 33.87 1nvm s VAL 44 CO 0.26 -0.39 1.27 0.44 -0.31 0.00 0.00 175.10 176.38 1nvm h ASP 45 N -0.99 0.44 -5.06 4.85 5.19 -1.55 -3.36 116.42 115.94 1nvm h ASP 45 Ca -0.44 -0.39 -0.10 0.00 -0.62 0.00 0.00 57.03 55.48 1nvm h ASP 45 Cb 1.25 -0.14 -0.17 0.00 0.18 0.00 0.00 39.33 40.45 1nvm h ASP 45 CO 0.50 1.22 -0.29 -0.94 -3.12 0.00 0.00 179.24 176.61 1nvm s SER 46 N -7.07 -0.08 -0.22 6.45 1.04 -1.12 -1.36 113.70 111.34 1nvm s SER 46 Ca -0.05 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1nvm s SER 46 Cb 0.09 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1nvm s SER 46 CO 0.86 -0.61 -0.07 -0.63 0.98 0.00 0.00 173.24 173.78 1nvm s ILE 47 N -2.61 1.55 -0.02 -1.02 1.01 0.34 -1.30 121.20 119.16 1nvm s ILE 47 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 60.65 59.23 1nvm s ILE 47 Cb -0.01 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1nvm s ILE 47 CO -0.04 -0.00 0.79 -0.70 0.00 0.00 0.00 174.94 174.99 1nvm s GLU 48 N 1.41 4.49 -0.07 2.79 2.12 -0.04 -1.24 118.70 128.15 1nvm s GLU 48 Ca -0.04 1.06 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 1nvm s GLU 48 Cb -0.18 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.82 1nvm s GLU 48 CO -0.07 0.11 -0.00 0.08 -0.54 0.00 0.00 175.26 174.84 1nvm s VAL 49 N 0.57 0.36 0.00 3.70 1.01 0.17 -3.07 120.40 123.15 1nvm s VAL 49 Ca 0.41 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1nvm s VAL 49 Cb -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1nvm s VAL 49 CO 0.22 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.57 1nvm n ALA 50 N 5.02 0.00 -0.82 5.51 0.00 -1.15 -4.57 120.51 124.49 1nvm n ALA 50 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1nvm n ALA 50 Cb 0.50 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.19 0.06 -0.27 0.00 -0.00 -1.25 -4.16 115.22 109.41 1nvm n HIS 51 Ca 0.00 0.34 0.07 0.00 -0.00 0.00 0.00 57.72 58.14 1nvm n HIS 51 Cb 0.00 -1.94 0.22 0.00 -0.00 0.00 0.00 29.99 28.26 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 -1.53 1.21 -2.57 1.57 0.00 -1.88 -0.62 103.07 99.26 1nvm h GLY 52 Ca -0.44 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1nvm h GLY 52 CO 0.40 -0.16 0.16 1.22 0.00 0.00 0.00 176.54 178.15 1nvm n ASP 53 N -5.05 3.26 0.00 0.19 9.92 -1.26 -4.76 116.55 118.85 1nvm n ASP 53 Ca 0.16 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.83 1nvm n ASP 53 Cb 0.49 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1nvm n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nvm n GLY 54 N 0.00 -2.21 3.69 0.44 0.00 -0.24 -4.41 105.19 102.46 1nvm n GLY 54 Ca 0.20 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 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 3.43 -1.89 0.99 4.77 0.15 -0.97 117.00 123.49 1nvm n LEU 55 Ca 0.00 1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.91 1nvm n LEU 55 Cb 0.00 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 39.59 1nvm n LEU 55 CO 0.00 -0.21 -0.22 0.00 -1.33 0.00 0.00 177.39 175.63 1nvm n GLN 56 N 2.84 -1.37 0.19 3.23 1.13 -1.26 -3.37 117.38 118.77 1nvm n GLN 56 Ca 0.14 0.91 0.08 0.00 -1.94 0.00 0.00 57.00 56.18 1nvm n GLN 56 Cb 0.32 -5.34 0.19 0.00 0.11 0.00 0.00 30.24 25.52 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 -5.46 1.08 0.00 -1.26 -3.45 103.07 93.98 1nvm h GLY 57 Ca -0.41 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.29 1nvm h GLY 57 CO 0.50 0.00 0.83 -1.26 0.00 0.00 0.00 176.54 176.61 1nvm n SER 58 N -3.21 2.83 -3.60 0.19 2.88 -1.26 -4.48 113.62 106.97 1nvm n SER 58 Ca 0.02 1.06 0.02 0.00 -1.33 0.00 0.00 58.87 58.64 1nvm n SER 58 Cb 0.59 -1.33 -0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 2.08 -0.04 0.25 -3.46 1.04 -0.98 -4.92 113.70 107.67 1nvm s SER 59 Ca 0.86 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 1nvm s SER 59 Cb -0.79 0.11 0.30 0.00 0.10 0.00 0.00 66.02 65.74 1nvm s SER 59 CO 0.47 -0.20 1.84 -0.26 0.98 0.00 0.00 173.24 176.07 1nvm h PHE 60 N 2.00 1.07 -0.50 5.02 0.04 -1.90 0.09 116.94 122.76 1nvm h PHE 60 Ca -0.30 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.38 1nvm h PHE 60 Cb 1.20 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 1nvm h PHE 60 CO 0.31 0.80 0.20 -0.97 -0.60 0.00 0.00 178.31 178.05 1nvm h ASN 61 N 1.05 0.70 -0.01 2.17 -1.24 -1.94 -3.26 115.58 113.04 1nvm h ASN 61 Ca 0.25 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1nvm h ASN 61 Cb 0.16 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1nvm h ASN 61 CO -0.03 0.68 -0.20 -1.22 -1.29 0.00 0.00 177.43 175.38 1nvm n TYR 62 N -4.55 0.00 0.00 0.67 4.01 -1.22 -4.71 117.16 111.36 1nvm n TYR 62 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1nvm n TYR 62 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.89 2.23 3.79 2.72 0.00 0.00 -4.89 105.19 109.94 1nvm n GLY 63 Ca 0.05 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.56 3.64 0.55 1.61 0.08 -1.10 -2.33 117.98 119.87 1nvm s PHE 64 Ca 0.00 1.69 -0.09 0.00 0.12 0.00 0.00 56.93 58.66 1nvm s PHE 64 Cb 0.00 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.55 1nvm s PHE 64 CO 0.00 0.19 0.92 0.20 -0.10 0.00 0.00 175.22 176.43 1nvm s GLY 65 N -1.70 1.62 0.20 4.36 0.00 -1.26 -4.76 107.32 105.78 1nvm s GLY 65 Ca 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 1nvm s GLY 65 CO 0.22 -0.03 1.53 -0.09 0.00 0.00 0.00 173.10 174.73 1nvm h ARG 66 N 0.02 0.59 -5.34 2.90 2.43 -1.50 -3.45 114.38 110.02 1nvm h ARG 66 Ca -0.45 -0.34 -0.49 0.00 -0.81 0.00 0.00 59.98 57.89 1nvm h ARG 66 Cb 1.20 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 1nvm h ARG 66 CO 0.62 0.94 -0.63 -1.01 -1.51 0.00 0.00 179.97 178.38 1nvm s HIS 67 N -4.11 1.99 0.66 2.20 3.76 -1.26 -5.11 115.29 113.43 1nvm s HIS 67 Ca -0.08 -0.85 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 1nvm s HIS 67 Cb 0.12 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 1nvm s HIS 67 CO 0.84 0.13 1.05 0.95 -0.85 0.00 0.00 174.74 176.86 1nvm s THR 68 N -3.16 3.96 0.25 1.30 -4.23 -1.26 -4.93 115.64 107.57 1nvm s THR 68 Ca 0.34 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 1nvm s THR 68 Cb 0.07 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.53 1nvm s THR 68 CO 0.14 -0.81 1.87 0.44 -0.54 0.00 0.00 174.62 175.72 1nvm h ASP 69 N -0.49 0.95 -0.36 3.99 3.32 -1.97 -2.03 116.42 119.83 1nvm h ASP 69 Ca -0.45 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1nvm h ASP 69 Cb 1.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1nvm h ASP 69 CO 0.63 0.61 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.60 1nvm h LEU 70 N 1.09 0.77 -0.38 1.55 3.38 -1.95 0.90 115.31 120.67 1nvm h LEU 70 Ca 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1nvm h LEU 70 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nvm h LEU 70 CO -0.17 0.89 0.18 -0.33 0.09 0.00 0.00 178.44 179.11 1nvm h GLU 71 N 0.71 0.55 -0.65 1.13 5.08 -1.77 -0.96 114.58 118.68 1nvm h GLU 71 Ca 0.12 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nvm h GLU 71 Cb 0.57 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1nvm h GLU 71 CO 0.03 0.49 0.31 1.88 -1.00 0.00 0.00 179.01 180.72 1nvm h TYR 72 N 0.48 0.94 -0.24 4.33 0.05 -0.85 -0.89 116.97 120.79 1nvm h TYR 72 Ca 0.13 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1nvm h TYR 72 Cb 0.12 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1nvm h TYR 72 CO -0.01 0.71 0.13 0.82 -1.05 0.00 0.00 178.16 178.75 1nvm h ILE 73 N 0.90 1.13 -0.52 -2.88 2.04 -0.69 -0.55 117.51 116.95 1nvm h ILE 73 Ca 0.22 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1nvm h ILE 73 Cb 0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1nvm h ILE 73 CO -0.03 0.13 0.13 -0.33 0.00 0.00 0.00 178.15 178.05 1nvm h GLU 74 N 0.27 0.78 -0.45 2.37 5.08 -1.08 0.70 114.58 122.26 1nvm h GLU 74 Ca 0.09 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1nvm h GLU 74 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1nvm h GLU 74 CO -0.01 0.70 0.10 0.00 -1.00 0.00 0.00 179.01 178.81 1nvm h ALA 75 N 1.38 0.60 -0.52 3.43 0.00 -0.74 -2.57 119.26 120.85 1nvm h ALA 75 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nvm h ALA 75 Cb 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nvm h ALA 75 CO -0.00 0.29 0.16 0.28 0.00 0.00 0.00 179.25 179.98 1nvm h VAL 76 N 0.60 1.23 -0.79 0.00 2.07 -0.77 -3.05 116.25 115.54 1nvm h VAL 76 Ca 0.14 -0.78 0.12 0.00 0.82 0.00 0.00 66.70 67.00 1nvm h VAL 76 Cb 0.33 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1nvm h VAL 76 CO 0.00 0.29 0.52 0.00 0.02 0.00 0.00 177.57 178.40 1nvm h ALA 77 N 1.02 1.87 0.00 1.67 0.00 -0.67 -0.48 119.26 122.68 1nvm h ALA 77 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nvm h ALA 77 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nvm h ALA 77 CO -0.01 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1nvm n GLY 78 N -1.46 -1.05 0.00 0.00 0.00 -0.98 -3.62 105.19 98.08 1nvm n GLY 78 Ca 0.14 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.27 2.34 -4.39 1.61 -0.58 -0.19 -5.06 120.64 113.10 1nvm n GLU 79 Ca 0.12 -0.03 -0.25 0.00 -0.42 0.00 0.00 57.16 56.58 1nvm n GLU 79 Cb 0.18 -1.13 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 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 -2.33 2.82 0.00 -3.67 -4.36 -1.18 -4.67 121.20 107.81 1nvm s ILE 80 Ca 0.02 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1nvm s ILE 80 Cb 0.09 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1nvm s ILE 80 CO 0.50 -0.29 0.00 -1.54 0.24 0.00 0.00 174.94 173.85 1nvm n SER 81 N -0.42 0.00 -0.08 4.36 3.41 -1.26 -4.98 113.62 114.65 1nvm n SER 81 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 1nvm n SER 81 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.69 7.33 -0.00 -1.26 -5.02 115.22 114.58 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 -0.53 0.04 0.00 -0.00 0.00 0.00 29.99 29.49 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 -2.65 2.77 0.32 1.57 0.00 -1.26 -5.00 121.76 117.51 1nvm s ALA 83 Ca -0.26 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1nvm s ALA 83 Cb 0.06 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1nvm s ALA 83 CO 0.37 -1.07 0.53 -0.65 0.00 0.00 0.00 175.76 174.94 1nvm s GLN 84 N -4.94 3.52 -0.17 0.00 -0.21 -0.46 -4.91 119.66 112.49 1nvm s GLN 84 Ca 0.58 -0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.51 1nvm s GLN 84 Cb -0.14 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1nvm s GLN 84 CO 0.52 0.19 0.56 0.42 -2.12 0.00 0.00 175.29 174.86 1nvm s ILE 85 N -2.22 5.09 0.32 1.08 1.01 -1.26 -0.50 121.20 124.72 1nvm s ILE 85 Ca 0.41 1.08 0.07 0.00 0.00 0.00 0.00 60.65 62.20 1nvm s ILE 85 Cb -0.10 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1nvm s ILE 85 CO 0.34 0.20 0.32 0.00 0.00 0.00 0.00 174.94 175.79 1nvm s ALA 86 N 1.40 3.88 0.20 9.38 0.00 -0.38 -1.11 121.76 135.13 1nvm s ALA 86 Ca 0.27 -1.56 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1nvm s ALA 86 Cb -0.16 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1nvm s ALA 86 CO 0.11 0.05 0.34 -0.08 0.00 0.00 0.00 175.76 176.18 1nvm s THR 87 N -2.24 0.03 -0.03 0.00 -1.32 0.04 -0.65 115.64 111.48 1nvm s THR 87 Ca 0.40 -1.45 0.06 0.00 -1.21 0.00 0.00 61.69 59.49 1nvm s THR 87 Cb -0.07 -2.04 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 1nvm s THR 87 CO 0.27 -0.15 -0.22 -0.22 -2.21 0.00 0.00 174.62 172.09 1nvm s LEU 88 N -3.01 2.03 -0.10 9.08 2.96 -1.26 -0.93 118.68 127.46 1nvm s LEU 88 Ca 0.21 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1nvm s LEU 88 Cb 0.02 -1.14 0.03 0.00 0.50 0.00 0.00 46.19 45.61 1nvm s LEU 88 CO 0.04 0.25 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.10 1nvm s LEU 89 N -0.39 0.79 -0.35 -0.68 2.96 -0.30 -0.67 118.68 120.04 1nvm s LEU 89 Ca 0.05 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 1nvm s LEU 89 Cb -0.10 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1nvm s LEU 89 CO 0.00 -0.20 0.17 -0.76 -1.32 0.00 0.00 176.35 174.25 1nvm s LEU 90 N 1.91 4.43 0.24 -0.68 1.02 -1.26 -0.83 118.68 123.50 1nvm s LEU 90 Ca 0.04 -0.84 -0.31 0.00 0.02 0.00 0.00 54.13 53.04 1nvm s LEU 90 Cb -0.13 -1.99 -0.14 0.00 0.02 0.00 0.00 46.19 43.95 1nvm s LEU 90 CO -0.06 -0.31 1.31 -2.65 0.02 0.00 0.00 176.35 174.67 1nvm n PRO 91 N 4.97 1.80 0.00 1.29 -0.02 -1.25 -1.01 135.00 140.77 1nvm n PRO 91 Ca -0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1nvm n PRO 91 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.94 2.97 1.14 -1.23 0.00 -1.26 -4.82 105.19 103.94 1nvm n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.71 1.07 -3.85 -0.61 5.41 -0.18 -5.08 119.36 114.40 1nvm n ILE 93 Ca 0.00 0.35 -0.21 0.00 1.00 0.00 0.00 62.75 63.90 1nvm n ILE 93 Cb 0.00 -1.46 -0.02 0.00 -0.71 0.00 0.00 39.64 37.46 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 -4.06 1.34 0.46 7.39 0.00 -0.53 -4.85 107.32 107.07 1nvm s GLY 94 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.43 1nvm s GLY 94 CO 0.00 -1.31 0.06 -1.35 0.00 0.00 0.00 173.10 170.51 1nvm s SER 95 N -4.02 3.48 0.24 1.64 1.04 -1.26 -4.17 113.70 110.64 1nvm s SER 95 Ca 0.37 -1.65 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 1nvm s SER 95 Cb -0.09 0.47 0.24 0.00 0.10 0.00 0.00 66.02 66.74 1nvm s SER 95 CO 0.29 -0.87 1.89 0.58 0.98 0.00 0.00 173.24 176.12 1nvm h VAL 96 N 1.58 1.26 -0.77 5.02 2.07 -1.96 -0.94 116.25 122.50 1nvm h VAL 96 Ca -0.40 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 66.65 1nvm h VAL 96 Cb 1.29 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1nvm h VAL 96 CO 0.66 0.27 0.44 -0.74 0.02 0.00 0.00 177.57 178.22 1nvm h HIS 97 N 1.32 0.80 -0.33 1.57 -0.00 -1.99 0.39 115.15 116.90 1nvm h HIS 97 Ca 0.35 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.66 1nvm h HIS 97 Cb -0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.08 1nvm h HIS 97 CO 0.00 0.35 -0.13 -0.44 -0.00 0.00 0.00 177.93 177.71 1nvm h ASP 98 N 0.76 0.56 -0.47 3.26 3.32 -1.75 -2.01 116.42 120.08 1nvm h ASP 98 Ca 0.36 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1nvm h ASP 98 Cb 0.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1nvm h ASP 98 CO -0.22 0.71 -0.01 0.25 -1.72 0.00 0.00 179.24 178.25 1nvm h LEU 99 N 0.52 0.83 -0.28 1.55 5.85 0.16 -1.10 115.31 122.85 1nvm h LEU 99 Ca 0.09 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1nvm h LEU 99 Cb 0.53 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1nvm h LEU 99 CO 0.03 0.94 -0.15 0.50 -0.34 0.00 0.00 178.44 179.43 1nvm h LYS 100 N 0.70 -0.11 -0.82 1.25 3.64 -0.64 0.54 116.57 121.13 1nvm h LYS 100 Ca 0.13 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1nvm h LYS 100 Cb 0.52 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1nvm h LYS 100 CO 0.03 -0.07 0.42 -0.91 -2.27 0.00 0.00 179.45 176.65 1nvm h ASN 101 N -0.11 1.05 -0.41 4.20 2.35 -1.11 0.11 115.58 121.66 1nvm h ASN 101 Ca 0.15 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1nvm h ASN 101 Cb 0.34 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1nvm h ASN 101 CO -0.35 0.86 -0.10 0.00 -1.65 0.00 0.00 177.43 176.19 1nvm h ALA 102 N 1.30 0.93 -0.37 -0.83 0.00 -0.38 -2.11 119.26 117.80 1nvm h ALA 102 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 102 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nvm h ALA 102 CO -0.04 0.62 0.21 -0.92 0.00 0.00 0.00 179.25 179.12 1nvm h TYR 103 N 0.78 0.51 -0.23 0.00 5.03 -0.54 -1.19 116.97 121.32 1nvm h TYR 103 Ca 0.13 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 1nvm h TYR 103 Cb 0.60 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1nvm h TYR 103 CO 0.03 0.39 0.12 1.96 -1.32 0.00 0.00 178.16 179.35 1nvm h GLN 104 N 0.47 0.31 0.00 1.82 4.20 -0.67 -1.62 115.11 119.62 1nvm h GLN 104 Ca 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1nvm h GLN 104 Cb 0.05 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1nvm h GLN 104 CO -0.02 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 1nvm n ALA 105 N -2.50 2.14 0.00 3.87 0.00 -0.82 -4.90 120.51 118.30 1nvm n ALA 105 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1nvm n ALA 105 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.03 0.69 3.74 0.00 0.00 -0.61 -4.13 105.19 105.92 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 -1.04 3.48 0.00 4.61 0.00 -0.49 -4.56 121.76 123.75 1nvm s ALA 107 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1nvm s ALA 107 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1nvm s ALA 107 CO 0.00 -0.44 0.04 0.54 0.00 0.00 0.00 175.76 175.90 1nvm n ARG 108 N 2.15 4.93 -5.11 0.00 5.12 -0.27 -4.38 116.66 119.10 1nvm n ARG 108 Ca 0.04 -0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1nvm n ARG 108 Cb 0.44 -0.45 -0.16 0.00 -1.16 0.00 0.00 32.46 31.13 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 -0.72 2.39 -0.04 1.55 1.01 -0.92 -1.15 120.40 122.52 1nvm s VAL 109 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1nvm s VAL 109 Cb 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1nvm s VAL 109 CO 0.00 0.56 -0.09 0.54 0.00 0.00 0.00 175.10 176.11 1nvm s VAL 110 N -0.05 0.84 -0.29 2.92 0.11 -0.55 -0.78 120.40 122.60 1nvm s VAL 110 Ca -0.06 -0.35 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 1nvm s VAL 110 Cb -0.14 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 33.93 1nvm s VAL 110 CO 0.05 0.28 0.10 -0.13 -3.33 0.00 0.00 175.10 172.06 1nvm s ARG 111 N 0.49 3.23 -0.41 1.54 3.00 -0.10 -1.35 118.95 125.35 1nvm s ARG 111 Ca -0.09 -0.77 -0.16 0.00 0.00 0.00 0.00 55.73 54.71 1nvm s ARG 111 Cb -0.12 -3.41 0.02 0.00 0.00 0.00 0.00 34.95 31.43 1nvm s ARG 111 CO 0.01 -0.40 0.38 0.08 0.00 0.00 0.00 175.30 175.37 1nvm s VAL 112 N 1.54 5.15 -0.15 3.52 1.01 0.24 -1.14 120.40 130.57 1nvm s VAL 112 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1nvm s VAL 112 Cb -0.17 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1nvm s VAL 112 CO 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 175.10 174.80 1nvm s ALA 113 N 1.98 3.18 0.19 5.51 0.00 -0.01 -0.70 121.76 131.91 1nvm s ALA 113 Ca 0.10 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1nvm s ALA 113 Cb -0.18 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1nvm s ALA 113 CO 0.12 0.26 -0.13 0.95 0.00 0.00 0.00 175.76 176.96 1nvm s THR 114 N 0.18 1.61 0.60 0.00 -4.23 -0.71 -3.84 115.64 109.25 1nvm s THR 114 Ca 0.01 -2.18 -0.19 0.00 -1.18 0.00 0.00 61.69 58.14 1nvm s THR 114 Cb -0.13 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1nvm s THR 114 CO 0.02 -0.63 1.24 1.57 -0.54 0.00 0.00 174.62 176.28 1nvm n HIS 115 N -0.34 1.82 0.03 3.99 -0.00 -1.26 -0.46 115.22 118.99 1nvm n HIS 115 Ca -0.08 0.43 0.21 0.00 0.46 0.00 0.00 57.72 58.74 1nvm n HIS 115 Cb 0.60 -2.27 0.73 0.00 -0.12 0.00 0.00 29.99 28.93 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 -4.00 0.00 -1.62 0.00 -2.24 -1.26 -4.50 114.28 100.66 1nvm n THR 117 Ca 0.09 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 1nvm n THR 117 Cb 0.65 0.97 0.11 0.00 -2.10 0.00 0.00 70.33 69.97 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 0.23 2.64 0.26 -0.78 -0.58 -0.37 -4.78 120.64 117.27 1nvm n GLU 118 Ca 0.13 -3.55 0.08 0.00 -0.42 0.00 0.00 57.16 53.41 1nvm n GLU 118 Cb 0.45 -2.09 0.65 0.00 -0.57 0.00 0.00 31.44 29.88 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 1.63 1.93 0.00 0.62 0.00 -1.79 -2.20 119.26 119.45 1nvm h ALA 119 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1nvm h ALA 119 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1nvm h ALA 119 CO 0.81 0.02 0.00 0.38 0.00 0.00 0.00 179.25 180.46 1nvm h ASP 120 N 0.00 0.00 0.91 0.00 3.04 -1.92 -1.95 116.42 116.50 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 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1nvm h ASP 120 CO 0.00 0.00 0.00 1.33 -2.04 0.00 0.00 179.24 178.53 1nvm n VAL 121 N -2.68 0.64 1.55 4.15 0.24 -0.83 -3.11 118.33 118.29 1nvm n VAL 121 Ca -0.02 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 1nvm n VAL 121 Cb 0.09 -0.84 0.65 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.91 0.62 -0.10 -1.34 3.41 -0.73 -4.47 113.62 109.11 1nvm n SER 122 Ca 0.04 -0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 57.69 1nvm n SER 122 Cb 0.29 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.87 0.34 -0.33 4.33 3.64 -1.72 -1.29 116.57 122.40 1nvm h LYS 123 Ca 0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1nvm h LYS 123 Cb 0.32 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1nvm h LYS 123 CO 0.00 0.23 -0.14 -0.56 -2.27 0.00 0.00 179.45 176.71 1nvm h GLN 124 N 0.35 0.58 -0.33 1.90 3.07 -1.88 -0.95 115.11 117.86 1nvm h GLN 124 Ca 0.14 -0.18 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 1nvm h GLN 124 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 1nvm h GLN 124 CO -0.09 0.70 -0.22 0.45 0.09 0.00 0.00 178.83 179.76 1nvm h HIS 125 N 0.53 0.86 -0.45 0.06 3.86 -1.73 -1.90 115.15 116.38 1nvm h HIS 125 Ca 0.09 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 58.98 1nvm h HIS 125 Cb 0.55 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1nvm h HIS 125 CO 0.02 0.97 -0.08 0.82 0.86 0.00 0.00 177.93 180.52 1nvm h ILE 126 N 0.51 1.27 -0.61 2.45 2.04 -1.11 -1.48 117.51 120.57 1nvm h ILE 126 Ca 0.07 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1nvm h ILE 126 Cb 0.78 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1nvm h ILE 126 CO 0.06 0.41 0.40 -0.33 0.00 0.00 0.00 178.15 178.69 1nvm h GLU 127 N 0.69 0.79 -0.53 2.37 5.08 -1.19 -1.42 114.58 120.37 1nvm h GLU 127 Ca 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1nvm h GLU 127 Cb 0.62 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1nvm h GLU 127 CO 0.04 0.52 0.20 -0.92 -1.00 0.00 0.00 179.01 177.86 1nvm h TYR 128 N 0.82 0.81 -0.60 4.33 5.03 -1.14 -1.11 116.97 125.11 1nvm h TYR 128 Ca 0.23 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1nvm h TYR 128 Cb -0.08 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 37.93 1nvm h TYR 128 CO -0.03 0.67 0.40 0.00 -1.32 0.00 0.00 178.16 177.87 1nvm h ALA 129 N 1.05 0.76 -0.43 1.82 0.00 -1.09 -0.52 119.26 120.86 1nvm h ALA 129 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 129 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nvm h ALA 129 CO -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 1nvm h ARG 130 N 0.82 0.74 0.00 0.00 2.47 -1.02 -1.59 114.38 115.80 1nvm h ARG 130 Ca 0.22 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1nvm h ARG 130 Cb -0.09 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1nvm h ARG 130 CO -0.05 0.81 -0.35 -0.97 0.56 0.00 0.00 179.97 179.97 1nvm h ASN 131 N 0.68 0.00 1.54 7.04 -0.00 -0.44 -0.91 115.58 123.50 1nvm h ASN 131 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1nvm h ASN 131 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1nvm h ASN 131 CO 0.03 0.35 0.00 -0.07 -0.00 0.00 0.00 177.43 177.74 1nvm h LEU 132 N 0.00 0.00 0.00 0.34 3.38 -0.76 -3.47 115.31 114.80 1nvm h LEU 132 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nvm h LEU 132 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 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 0.81 0.44 3.89 0.83 0.00 -0.35 -5.04 105.19 105.77 1nvm n GLY 133 Ca 0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.18 3.48 -0.39 1.61 -1.94 -0.65 -4.99 119.30 113.24 1nvm s MET 134 Ca 0.00 0.49 -0.29 0.00 -1.71 0.00 0.00 55.69 54.19 1nvm s MET 134 Cb 0.00 -2.19 -0.00 0.00 2.01 0.00 0.00 34.83 34.65 1nvm s MET 134 CO 0.00 -0.49 1.57 0.34 -0.01 0.00 0.00 175.02 176.43 1nvm s ASP 135 N -4.18 6.15 -0.27 3.03 2.15 -0.30 -4.63 116.67 118.61 1nvm s ASP 135 Ca 0.53 0.98 -0.08 0.00 0.43 0.00 0.00 52.55 54.41 1nvm s ASP 135 Cb -0.11 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1nvm s ASP 135 CO 0.50 -1.56 0.10 -0.89 -0.17 0.00 0.00 175.17 173.15 1nvm s THR 136 N 6.05 4.43 -0.04 1.71 2.01 -1.26 -1.48 115.64 127.06 1nvm s THR 136 Ca 0.68 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1nvm s THR 136 Cb -0.17 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1nvm s THR 136 CO 0.33 0.24 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.59 1nvm s VAL 137 N 1.62 1.75 -0.06 3.82 1.01 -0.45 -1.29 120.40 126.80 1nvm s VAL 137 Ca 0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1nvm s VAL 137 Cb -0.16 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1nvm s VAL 137 CO 0.05 0.50 0.34 -0.83 0.00 0.00 0.00 175.10 175.16 1nvm s GLY 138 N -0.22 2.37 -0.10 4.51 0.00 0.16 -0.59 107.32 113.45 1nvm s GLY 138 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 1nvm s GLY 138 CO 0.02 0.14 -0.06 -0.12 0.00 0.00 0.00 173.10 173.08 1nvm s PHE 139 N -0.69 1.30 -0.37 1.90 2.19 0.12 -0.07 117.98 122.36 1nvm s PHE 139 Ca 0.21 -0.60 -0.13 0.00 0.33 0.00 0.00 56.93 56.74 1nvm s PHE 139 Cb -0.15 -1.13 0.00 0.00 -1.31 0.00 0.00 43.02 40.43 1nvm s PHE 139 CO 0.10 -0.47 0.25 -0.51 1.83 0.00 0.00 175.22 176.42 1nvm s LEU 140 N 1.74 4.73 0.51 6.12 1.43 -0.07 -1.74 118.68 131.40 1nvm s LEU 140 Ca 0.04 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1nvm s LEU 140 Cb -0.13 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 1nvm s LEU 140 CO -0.07 -0.33 0.86 -0.04 0.23 0.00 0.00 176.35 177.00 1nvm s MET 141 N 1.68 3.60 -1.42 1.70 -1.94 0.39 -0.70 119.30 122.61 1nvm s MET 141 Ca 0.05 0.41 -0.05 0.00 -1.71 0.00 0.00 55.69 54.40 1nvm s MET 141 Cb -0.18 -2.29 0.03 0.00 2.01 0.00 0.00 34.83 34.40 1nvm s MET 141 CO 0.09 -0.29 0.68 -1.33 -0.01 0.00 0.00 175.02 174.16 1nvm n MET 142 N -2.26 -4.38 0.00 2.03 2.81 -1.11 -1.49 117.12 112.71 1nvm n MET 142 Ca 0.03 0.53 0.04 0.00 -1.81 0.00 0.00 57.70 56.48 1nvm n MET 142 Cb 0.55 -5.03 0.22 0.00 -0.71 0.00 0.00 33.22 28.24 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 -2.95 0.00 0.01 7.83 7.64 -0.78 -1.61 113.62 123.76 1nvm n SER 143 Ca -0.20 0.18 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1nvm n SER 143 Cb 0.63 -0.30 0.46 0.00 -1.01 0.00 0.00 64.21 64.00 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 -1.30 0.07 0.40 1.43 1.44 -1.26 -4.12 115.22 111.89 1nvm n HIS 144 Ca 0.04 0.02 0.13 0.00 -2.01 0.00 0.00 57.72 55.90 1nvm n HIS 144 Cb 0.07 -0.45 0.30 0.00 0.12 0.00 0.00 29.99 30.04 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 -4.87 -1.40 2.86 -1.66 -3.45 114.93 106.40 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 0.52 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.03 1nvm h MET 145 CO 0.00 0.00 -0.71 0.96 1.06 0.00 0.00 176.91 178.22 1nvm s ILE 146 N -3.18 0.92 0.72 -1.22 -4.36 -1.26 -5.13 121.20 107.69 1nvm s ILE 146 Ca 0.08 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.43 1nvm s ILE 146 Cb 0.08 -1.65 0.04 0.00 1.25 0.00 0.00 42.46 42.18 1nvm s ILE 146 CO 0.63 -0.75 1.17 -2.84 0.24 0.00 0.00 174.94 173.39 1nvm s PRO 147 N -3.52 2.26 0.23 0.37 0.02 -1.26 -4.70 135.00 128.40 1nvm s PRO 147 Ca 0.12 1.63 -0.08 0.00 0.02 0.00 0.00 61.00 62.69 1nvm s PRO 147 Cb 0.02 -1.86 0.40 0.00 0.02 0.00 0.00 34.50 33.08 1nvm s PRO 147 CO -0.02 -1.72 1.66 0.00 -0.33 0.00 0.00 177.00 176.60 1nvm h ALA 148 N -0.32 0.77 -0.88 -1.55 0.00 -1.92 -1.39 119.26 113.97 1nvm h ALA 148 Ca -0.47 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1nvm h ALA 148 Cb 1.28 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1nvm h ALA 148 CO 0.50 -0.39 0.50 0.93 0.00 0.00 0.00 179.25 180.79 1nvm h GLU 149 N 0.15 1.21 -0.38 0.00 5.08 -1.90 -1.26 114.58 117.48 1nvm h GLU 149 Ca 0.38 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1nvm h GLU 149 Cb 0.65 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1nvm h GLU 149 CO -0.57 0.87 -0.30 0.87 -1.00 0.00 0.00 179.01 178.88 1nvm h LYS 150 N 1.22 0.82 -0.55 2.33 1.79 -1.69 -2.36 116.57 118.14 1nvm h LYS 150 Ca 0.31 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1nvm h LYS 150 Cb -0.00 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1nvm h LYS 150 CO -0.05 1.01 0.32 1.25 -1.08 0.00 0.00 179.45 180.89 1nvm h LEU 151 N 0.70 0.68 -1.05 2.94 5.85 -0.92 -2.46 115.31 121.04 1nvm h LEU 151 Ca 0.08 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1nvm h LEU 151 Cb 0.85 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1nvm h LEU 151 CO 0.07 0.56 -0.11 0.00 -0.34 0.00 0.00 178.44 178.62 1nvm h ALA 152 N 1.15 1.21 -0.50 1.25 0.00 -1.13 -0.95 119.26 120.29 1nvm h ALA 152 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nvm h ALA 152 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nvm h ALA 152 CO -0.03 0.51 0.31 0.93 0.00 0.00 0.00 179.25 180.97 1nvm h GLU 153 N 0.51 0.62 -0.68 0.00 5.08 -1.17 0.99 114.58 119.94 1nvm h GLU 153 Ca 0.10 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1nvm h GLU 153 Cb 0.49 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1nvm h GLU 153 CO 0.03 0.41 0.13 1.96 -1.00 0.00 0.00 179.01 180.54 1nvm h GLN 154 N 0.63 1.11 -0.86 2.33 1.08 -0.95 -2.11 115.11 116.33 1nvm h GLN 154 Ca 0.19 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1nvm h GLN 154 Cb -0.03 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 1nvm h GLN 154 CO -0.07 1.00 0.45 0.78 -0.95 0.00 0.00 178.83 180.04 1nvm h GLY 155 N 1.03 1.31 1.68 3.46 0.00 -0.69 -2.23 103.07 107.63 1nvm h GLY 155 Ca 0.21 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1nvm h GLY 155 CO 0.01 0.59 -0.07 1.70 0.00 0.00 0.00 176.54 178.77 1nvm h LYS 156 N 1.22 0.40 -0.12 4.80 1.63 -0.64 -1.06 116.57 122.78 1nvm h LYS 156 Ca 0.30 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1nvm h LYS 156 Cb 0.07 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1nvm h LYS 156 CO -0.04 0.49 0.05 1.25 -3.45 0.00 0.00 179.45 177.74 1nvm h LEU 157 N 0.38 0.17 -0.95 5.20 5.85 -0.87 0.87 115.31 125.96 1nvm h LEU 157 Ca 0.08 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1nvm h LEU 157 Cb 0.37 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1nvm h LEU 157 CO 0.02 0.29 0.63 0.24 -0.34 0.00 0.00 178.44 179.27 1nvm h MET 158 N 0.04 1.23 -0.78 1.25 2.86 -0.84 -1.79 114.93 116.90 1nvm h MET 158 Ca 0.04 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1nvm h MET 158 Cb 0.17 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1nvm h MET 158 CO -0.00 0.81 0.52 1.49 1.06 0.00 0.00 176.91 180.79 1nvm h GLU 159 N 1.27 1.02 0.00 1.72 4.81 -0.95 -2.04 114.58 120.41 1nvm h GLU 159 Ca 0.36 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1nvm h GLU 159 Cb -0.11 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.04 1nvm h GLU 159 CO -0.09 0.68 -0.07 0.66 -0.73 0.00 0.00 179.01 179.46 1nvm h SER 160 N 1.06 0.00 1.45 1.04 4.64 0.02 -1.32 113.55 120.43 1nvm h SER 160 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1nvm h SER 160 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1nvm h SER 160 CO -0.07 0.07 0.00 1.88 -0.87 0.00 0.00 176.83 177.84 1nvm h TYR 161 N 0.00 0.00 0.00 4.77 0.05 -0.84 -3.46 116.97 117.48 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 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 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 1.06 0.15 3.75 3.88 0.00 -0.50 -4.24 105.19 109.28 1nvm n GLY 162 Ca 0.05 0.00 -0.41 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 -1.11 3.45 -1.97 4.61 0.00 -0.93 -4.89 121.76 120.92 1nvm s ALA 163 Ca 0.00 1.01 0.19 0.00 0.00 0.00 0.00 51.96 53.16 1nvm s ALA 163 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1nvm s ALA 163 CO 0.00 -0.38 1.01 0.25 0.00 0.00 0.00 175.76 176.64 1nvm n THR 164 N 1.90 0.00 -3.82 0.00 -2.24 -0.41 -4.38 114.28 105.33 1nvm n THR 164 Ca 0.02 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1nvm n THR 164 Cb 0.44 1.29 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.43 2.02 0.02 0.00 -1.09 0.19 -0.66 121.20 122.11 1nvm s ILE 166 Ca -0.03 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1nvm s ILE 166 Cb -0.05 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1nvm s ILE 166 CO -0.02 0.54 0.02 -0.31 -1.23 0.00 0.00 174.94 173.95 1nvm s TYR 167 N 0.94 3.11 -0.17 3.97 1.51 0.90 -0.79 117.35 126.83 1nvm s TYR 167 Ca -0.04 0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 56.04 1nvm s TYR 167 Cb -0.15 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1nvm s TYR 167 CO -0.05 0.49 0.05 0.00 -1.11 0.00 0.00 175.55 174.93 1nvm s MET 168 N -1.82 3.81 -0.19 -0.62 0.23 -0.78 -0.89 119.30 119.04 1nvm s MET 168 Ca 0.22 -0.36 -0.01 0.00 -1.03 0.00 0.00 55.69 54.51 1nvm s MET 168 Cb -0.12 -3.13 0.00 0.00 -1.53 0.00 0.00 34.83 30.06 1nvm s MET 168 CO 0.14 0.34 -0.12 0.00 -2.03 0.00 0.00 175.02 173.34 1nvm s ALA 169 N 0.17 2.57 -1.29 3.16 0.00 0.13 -1.34 121.76 125.16 1nvm s ALA 169 Ca 0.04 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1nvm s ALA 169 Cb -0.12 -1.39 0.16 0.00 0.00 0.00 0.00 23.12 21.76 1nvm s ALA 169 CO 0.01 -0.26 1.85 -3.47 0.00 0.00 0.00 175.76 173.89 1nvm n ASP 170 N 4.47 5.02 0.04 0.00 2.03 0.26 -1.86 116.55 126.51 1nvm n ASP 170 Ca -0.19 -3.08 0.10 0.00 0.52 0.00 0.00 54.79 52.14 1nvm n ASP 170 Cb 0.51 -1.50 0.54 0.00 -0.72 0.00 0.00 41.12 39.95 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 5.93 0.25 0.52 1.67 0.02 -1.91 -0.13 113.55 119.90 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 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1nvm h SER 171 CO 1.60 0.17 -0.20 0.61 -1.14 0.00 0.00 176.83 177.86 1nvm n GLY 172 N -1.53 -1.10 3.71 -3.77 0.00 -1.26 -1.52 105.19 99.71 1nvm n GLY 172 Ca 0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 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 1.39 -0.51 0.00 -0.02 0.00 -0.06 -3.51 105.19 102.48 1nvm n GLY 173 Ca 0.10 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.82 3.84 -2.40 4.61 0.00 -1.26 -3.85 120.51 116.62 1nvm n ALA 174 Ca -0.01 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1nvm n ALA 174 Cb 0.56 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.57 3.80 0.57 0.00 -1.94 -1.26 -4.96 119.30 112.95 1nvm s MET 175 Ca 0.04 0.29 0.07 0.00 -1.71 0.00 0.00 55.69 54.38 1nvm s MET 175 Cb 0.12 -2.63 0.07 0.00 2.01 0.00 0.00 34.83 34.39 1nvm s MET 175 CO 0.65 0.30 0.56 -1.54 -0.01 0.00 0.00 175.02 174.98 1nvm s SER 176 N -2.40 4.76 0.24 3.03 1.04 -1.26 -4.95 113.70 114.15 1nvm s SER 176 Ca 0.48 -1.16 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 1nvm s SER 176 Cb -0.11 0.50 0.25 0.00 0.10 0.00 0.00 66.02 66.77 1nvm s SER 176 CO 0.21 -1.26 1.90 0.24 0.98 0.00 0.00 173.24 175.31 1nvm h MET 177 N 0.49 1.14 0.00 4.02 2.86 -1.95 -1.35 114.93 120.14 1nvm h MET 177 Ca -0.33 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1nvm h MET 177 Cb 1.30 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1nvm h MET 177 CO 0.51 0.76 -0.28 -0.91 1.06 0.00 0.00 176.91 178.04 1nvm h ASN 178 N 1.18 0.00 -0.07 1.22 2.35 -1.99 -1.84 115.58 116.42 1nvm h ASN 178 Ca 0.35 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 1nvm h ASN 178 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1nvm h ASN 178 CO -0.10 0.28 -0.20 0.44 -1.65 0.00 0.00 177.43 176.20 1nvm h ASP 179 N 0.00 0.46 -0.20 5.81 3.32 -1.64 -0.50 116.42 123.67 1nvm h ASP 179 Ca -0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1nvm h ASP 179 Cb 0.61 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1nvm h ASP 179 CO 0.04 0.67 -0.08 0.40 -1.72 0.00 0.00 179.24 178.55 1nvm h ILE 180 N 0.42 1.30 -0.44 0.35 1.08 -1.10 -2.46 117.51 116.65 1nvm h ILE 180 Ca 0.07 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1nvm h ILE 180 Cb 0.59 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1nvm h ILE 180 CO 0.04 0.34 0.25 0.03 -0.69 0.00 0.00 178.15 178.11 1nvm h ARG 181 N 0.11 0.48 -0.28 2.37 3.08 -0.99 -0.55 114.38 118.61 1nvm h ARG 181 Ca 0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1nvm h ARG 181 Cb 0.55 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1nvm h ARG 181 CO 0.03 0.32 0.07 -0.44 -1.07 0.00 0.00 179.97 178.87 1nvm h ASP 182 N 0.50 0.04 -0.43 7.04 3.32 -1.05 -0.87 116.42 124.97 1nvm h ASP 182 Ca 0.18 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1nvm h ASP 182 Cb 0.04 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1nvm h ASP 182 CO -0.10 0.06 -0.04 0.03 -1.72 0.00 0.00 179.24 177.47 1nvm h ARG 183 N 0.18 0.78 -0.34 3.56 3.08 -1.26 -1.77 114.38 118.60 1nvm h ARG 183 Ca 0.13 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1nvm h ARG 183 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1nvm h ARG 183 CO -0.16 0.88 0.20 0.52 -1.07 0.00 0.00 179.97 180.33 1nvm h MET 184 N 0.61 0.39 -0.69 0.04 2.86 -0.86 -0.47 114.93 116.82 1nvm h MET 184 Ca 0.12 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1nvm h MET 184 Cb 0.55 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1nvm h MET 184 CO 0.03 0.26 0.32 0.00 1.06 0.00 0.00 176.91 178.57 1nvm h ARG 185 N 0.40 1.00 -0.72 1.72 3.08 -1.06 -1.03 114.38 117.78 1nvm h ARG 185 Ca 0.14 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1nvm h ARG 185 Cb 0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1nvm h ARG 185 CO -0.07 0.80 0.35 0.00 -1.07 0.00 0.00 179.97 179.99 1nvm h ALA 186 N 1.15 0.92 -0.19 0.04 0.00 -0.98 0.52 119.26 120.72 1nvm h ALA 186 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nvm h ALA 186 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nvm h ALA 186 CO -0.03 0.48 0.06 0.74 0.00 0.00 0.00 179.25 180.50 1nvm h PHE 187 N 1.00 0.31 0.00 0.00 0.04 -0.89 -2.89 116.94 114.51 1nvm h PHE 187 Ca 0.25 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 1nvm h PHE 187 Cb 0.10 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1nvm h PHE 187 CO 0.01 0.40 -0.26 0.87 -0.60 0.00 0.00 178.31 178.73 1nvm h LYS 188 N 0.14 0.00 -0.06 1.51 1.79 -0.77 -0.53 116.57 118.64 1nvm h LYS 188 Ca 0.06 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.44 1nvm h LYS 188 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1nvm h LYS 188 CO -0.00 0.26 -0.39 0.00 -1.08 0.00 0.00 179.45 178.24 1nvm h ALA 189 N 1.74 1.24 0.00 3.86 0.00 -0.73 -3.35 119.26 122.02 1nvm h ALA 189 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1nvm h ALA 189 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nvm h ALA 189 CO 0.03 0.54 -1.57 1.33 0.00 0.00 0.00 179.25 179.58 1nvm n VAL 190 N -4.06 0.34 -1.65 0.00 0.24 -1.04 -5.03 118.33 107.13 1nvm n VAL 190 Ca -0.02 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.34 61.65 1nvm n VAL 190 Cb 0.44 -0.26 0.04 0.00 -1.47 0.00 0.00 33.84 32.60 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 -4.23 3.10 0.60 1.34 1.43 -0.23 -5.01 118.68 115.68 1nvm s LEU 191 Ca -0.04 1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 54.40 1nvm s LEU 191 Cb 0.05 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1nvm s LEU 191 CO 0.41 -1.35 1.25 -0.54 0.23 0.00 0.00 176.35 176.35 1nvm s LYS 192 N -5.10 2.87 0.50 1.70 1.02 -1.26 -4.91 119.74 114.57 1nvm s LYS 192 Ca 0.58 1.94 0.15 0.00 0.02 0.00 0.00 55.97 58.66 1nvm s LYS 192 Cb -0.13 -1.95 1.21 0.00 -0.52 0.00 0.00 37.83 36.44 1nvm s LYS 192 CO 0.55 -1.31 2.13 -1.35 -0.92 0.00 0.00 175.35 174.44 1nvm h PRO 193 N 0.87 0.08 0.00 -1.68 0.11 -1.95 -1.82 132.00 127.61 1nvm h PRO 193 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nvm h PRO 193 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1nvm h PRO 193 CO 0.55 0.05 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 1nvm n GLU 194 N -4.53 0.22 -2.33 1.05 0.00 -1.26 -4.83 120.64 108.96 1nvm n GLU 194 Ca -0.02 0.19 -0.42 0.00 0.00 0.00 0.00 57.16 56.91 1nvm n GLU 194 Cb 0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 1nvm n GLU 194 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1nvm s THR 195 N -3.09 3.94 0.52 3.84 2.01 -0.69 -4.98 115.64 117.20 1nvm s THR 195 Ca 0.11 1.31 -0.19 0.00 0.31 0.00 0.00 61.69 63.23 1nvm s THR 195 Cb 0.13 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1nvm s THR 195 CO 0.58 0.01 1.04 -1.10 -0.69 0.00 0.00 174.62 174.46 1nvm s GLN 196 N 2.23 3.64 -0.05 4.92 -1.52 0.12 -4.92 119.66 124.07 1nvm s GLN 196 Ca 0.60 1.30 0.06 0.00 -1.95 0.00 0.00 55.36 55.37 1nvm s GLN 196 Cb -0.29 -2.07 -0.01 0.00 -0.22 0.00 0.00 33.01 30.42 1nvm s GLN 196 CO 0.25 -0.56 -0.22 0.08 -0.25 0.00 0.00 175.29 174.58 1nvm s VAL 197 N -2.16 1.84 0.16 1.09 1.01 -1.26 -0.64 120.40 120.45 1nvm s VAL 197 Ca 0.66 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1nvm s VAL 197 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1nvm s VAL 197 CO 0.26 0.52 -0.22 -0.83 0.00 0.00 0.00 175.10 174.82 1nvm s GLY 198 N -0.10 1.53 -0.10 4.51 0.00 0.03 -0.89 107.32 112.30 1nvm s GLY 198 Ca -0.03 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1nvm s GLY 198 CO 0.03 -1.53 -0.21 -0.29 0.00 0.00 0.00 173.10 171.10 1nvm s MET 199 N -2.48 3.02 -0.47 2.90 1.75 -0.11 -1.86 119.30 122.05 1nvm s MET 199 Ca 0.16 -0.84 0.03 0.00 -1.25 0.00 0.00 55.69 53.79 1nvm s MET 199 Cb -0.08 -2.35 0.14 0.00 2.84 0.00 0.00 34.83 35.38 1nvm s MET 199 CO 0.07 0.24 0.27 -1.58 -0.65 0.00 0.00 175.02 173.37 1nvm s HIS 200 N 0.22 2.12 0.31 4.11 2.46 -0.45 -1.01 115.29 123.05 1nvm s HIS 200 Ca -0.14 -2.54 -0.10 0.00 0.47 0.00 0.00 55.06 52.75 1nvm s HIS 200 Cb -0.17 -1.93 -0.07 0.00 -0.13 0.00 0.00 32.58 30.28 1nvm s HIS 200 CO 0.07 -0.76 0.65 0.00 -2.47 0.00 0.00 174.74 172.23 1nvm s ALA 201 N 0.12 3.47 0.22 1.58 0.00 -1.26 -0.58 121.76 125.31 1nvm s ALA 201 Ca 0.20 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1nvm s ALA 201 Cb -0.20 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1nvm s ALA 201 CO -0.03 0.26 -0.13 -1.01 0.00 0.00 0.00 175.76 174.85 1nvm s HIS 202 N -2.07 2.51 -0.28 0.00 3.76 -1.24 -2.79 115.29 115.18 1nvm s HIS 202 Ca 0.49 -0.27 0.12 0.00 -0.15 0.00 0.00 55.06 55.25 1nvm s HIS 202 Cb -0.11 -1.19 0.71 0.00 1.11 0.00 0.00 32.58 33.11 1nvm s HIS 202 CO 0.25 0.56 1.71 1.58 -0.85 0.00 0.00 174.74 178.00 1nvm n HIS 203 N -0.19 2.03 0.26 1.40 -0.00 0.32 -3.62 115.22 115.42 1nvm n HIS 203 Ca -0.09 -1.09 0.09 0.00 0.46 0.00 0.00 57.72 57.09 1nvm n HIS 203 Cb 0.57 -0.58 0.67 0.00 -0.12 0.00 0.00 29.99 30.53 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 2.64 0.00 -0.47 0.26 2.35 -1.81 0.75 115.58 119.30 1nvm h ASN 204 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1nvm h ASN 204 Cb 2.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.44 1nvm h ASN 204 CO 0.58 0.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.61 1nvm n LEU 205 N -4.19 4.58 -0.86 1.61 4.77 -1.25 -3.96 117.00 117.69 1nvm n LEU 205 Ca -0.03 -2.74 -0.11 0.00 -0.03 0.00 0.00 56.01 53.10 1nvm n LEU 205 Cb 0.16 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1nvm n LEU 205 CO 0.33 0.70 -0.11 -1.54 -1.33 0.00 0.00 177.39 175.44 1nvm n SER 206 N 0.36 -4.70 -0.96 -1.43 3.41 0.26 -4.92 113.62 105.63 1nvm n SER 206 Ca 0.23 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 1nvm n SER 206 Cb 0.94 -3.19 0.26 0.00 -0.26 0.00 0.00 64.21 61.96 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 -1.27 4.00 -0.15 1.04 4.77 -1.26 -4.64 117.00 119.48 1nvm n LEU 207 Ca -0.11 -3.07 -0.07 0.00 -0.03 0.00 0.00 56.01 52.73 1nvm n LEU 207 Cb 0.43 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1nvm n LEU 207 CO 0.17 0.71 1.05 1.23 -1.33 0.00 0.00 177.39 179.22 1nvm h GLY 208 N 1.82 0.65 0.68 -0.72 0.00 -1.83 0.83 103.07 104.50 1nvm h GLY 208 Ca 0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 1nvm h GLY 208 CO 0.25 0.19 -0.59 -2.08 0.00 0.00 0.00 176.54 174.32 1nvm h VAL 209 N 0.57 1.48 -0.29 4.60 2.07 -1.91 -3.06 116.25 119.71 1nvm h VAL 209 Ca 0.18 -2.20 0.06 0.00 0.82 0.00 0.00 66.70 65.56 1nvm h VAL 209 Cb -0.00 2.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 1nvm h VAL 209 CO -0.07 0.63 -0.14 0.00 0.02 0.00 0.00 177.57 178.00 1nvm h ALA 210 N 0.23 0.08 -0.35 1.67 0.00 -1.82 0.70 119.26 119.77 1nvm h ALA 210 Ca -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nvm h ALA 210 Cb 1.35 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1nvm h ALA 210 CO 0.11 -0.54 0.06 -0.91 0.00 0.00 0.00 179.25 177.97 1nvm h ASN 211 N -0.10 0.48 -0.10 0.00 2.35 -0.94 -1.53 115.58 115.74 1nvm h ASN 211 Ca 0.15 -0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 1nvm h ASN 211 Cb 0.33 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1nvm h ASN 211 CO -0.36 0.51 -0.61 0.28 -1.65 0.00 0.00 177.43 175.60 1nvm h SER 212 N 0.51 0.80 -0.02 5.81 0.02 -1.14 -0.77 113.55 118.77 1nvm h SER 212 Ca 0.12 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1nvm h SER 212 Cb 0.24 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1nvm h SER 212 CO 0.00 1.22 0.01 0.40 -1.14 0.00 0.00 176.83 177.32 1nvm h ILE 213 N 0.53 1.06 -0.76 3.27 2.04 -0.67 -1.71 117.51 121.26 1nvm h ILE 213 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1nvm h ILE 213 Cb 1.20 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1nvm h ILE 213 CO 0.12 0.04 0.42 0.58 0.00 0.00 0.00 178.15 179.32 1nvm h VAL 214 N -0.04 1.23 -0.55 1.67 2.07 -1.22 -0.71 116.25 118.71 1nvm h VAL 214 Ca 0.01 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1nvm h VAL 214 Cb 0.06 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1nvm h VAL 214 CO -0.00 0.25 0.35 0.00 0.02 0.00 0.00 177.57 178.19 1nvm h ALA 215 N 1.22 0.70 -0.72 1.67 0.00 -0.94 -0.85 119.26 120.35 1nvm h ALA 215 Ca 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nvm h ALA 215 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nvm h ALA 215 CO -0.04 0.10 0.26 0.28 0.00 0.00 0.00 179.25 179.84 1nvm h VAL 216 N 0.70 1.25 0.00 0.00 2.07 -0.96 -0.06 116.25 119.25 1nvm h VAL 216 Ca 0.21 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1nvm h VAL 216 Cb -0.04 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1nvm h VAL 216 CO -0.07 0.32 -0.14 -0.33 0.02 0.00 0.00 177.57 177.37 1nvm h GLU 217 N 1.05 0.00 -0.51 1.57 5.08 -0.42 -1.23 114.58 120.12 1nvm h GLU 217 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nvm h GLU 217 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1nvm h GLU 217 CO -0.02 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 1nvm n GLU 218 N -4.37 2.20 -0.21 2.33 -0.58 -0.39 -4.82 120.64 114.81 1nvm n GLU 218 Ca -0.03 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.34 1nvm n GLU 218 Cb 0.21 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.81 0.89 3.76 0.62 0.00 -0.46 -4.82 105.19 105.99 1nvm n GLY 219 Ca 0.13 -0.01 -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 -0.88 1.78 -4.32 0.00 8.00 -0.07 -4.62 116.55 116.45 1nvm n ASP 221 Ca 0.09 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1nvm n ASP 221 Cb 0.48 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 1nvm n ASP 221 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nvm s ARG 222 N -2.53 1.75 -0.10 -1.24 0.52 -0.68 -1.89 118.95 114.78 1nvm s ARG 222 Ca -0.28 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 53.88 1nvm s ARG 222 Cb 0.08 -1.88 0.02 0.00 0.52 0.00 0.00 34.95 33.69 1nvm s ARG 222 CO 0.67 0.49 -0.10 0.08 0.02 0.00 0.00 175.30 176.46 1nvm s VAL 223 N -0.78 1.09 0.07 3.52 1.01 -0.60 -0.93 120.40 123.78 1nvm s VAL 223 Ca 0.11 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1nvm s VAL 223 Cb -0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1nvm s VAL 223 CO 0.02 0.37 0.60 -1.81 0.00 0.00 0.00 175.10 174.28 1nvm s ASP 224 N 1.27 7.09 0.27 3.32 1.11 -0.18 -1.35 116.67 128.20 1nvm s ASP 224 Ca -0.03 1.29 -0.21 0.00 0.18 0.00 0.00 52.55 53.78 1nvm s ASP 224 Cb -0.14 -2.38 0.04 0.00 1.07 0.00 0.00 42.92 41.51 1nvm s ASP 224 CO -0.04 0.23 0.79 0.00 1.18 0.00 0.00 175.17 177.33 1nvm s ALA 225 N -0.90 -1.24 0.03 5.23 0.00 -0.64 -4.52 121.76 119.73 1nvm s ALA 225 Ca 0.30 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1nvm s ALA 225 Cb -0.20 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1nvm s ALA 225 CO 0.20 -1.03 0.23 -1.54 0.00 0.00 0.00 175.76 173.61 1nvm s SER 226 N -2.96 -0.03 0.14 0.00 1.04 -0.62 -0.47 113.70 110.79 1nvm s SER 226 Ca 0.12 -0.26 -0.31 0.00 0.48 0.00 0.00 55.95 55.98 1nvm s SER 226 Cb -0.05 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1nvm s SER 226 CO 0.07 -0.54 1.70 -0.76 0.98 0.00 0.00 173.24 174.68 1nvm s LEU 227 N -1.93 4.38 -0.86 2.42 1.43 -1.26 0.01 118.68 122.86 1nvm s LEU 227 Ca -0.07 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1nvm s LEU 227 Cb -0.02 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1nvm s LEU 227 CO -0.02 -0.93 0.00 0.00 0.23 0.00 0.00 176.35 175.63 1nvm n ALA 228 N 4.83 -0.12 -0.99 4.21 0.00 -1.26 -0.93 120.51 126.25 1nvm n ALA 228 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nvm n ALA 228 Cb 0.38 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.32 0.37 3.57 0.00 0.00 -0.11 -4.90 105.19 104.44 1nvm n GLY 229 Ca -0.08 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.79 0.47 0.00 1.61 0.00 -0.11 -0.95 117.12 116.35 1nvm n MET 230 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1nvm n MET 230 Cb 0.14 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.56 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 5.29 -0.07 3.76 -5.12 0.00 -1.26 -3.19 105.19 104.60 1nvm n GLY 231 Ca 0.37 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 2.40 0.00 4.61 0.00 -1.23 -4.01 121.76 121.53 1nvm s ALA 232 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1nvm s ALA 232 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1nvm s ALA 232 CO 0.00 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.79 1nvm n GLY 233 N -0.30 2.93 0.09 0.00 0.00 -1.13 -0.73 105.19 106.05 1nvm n GLY 233 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 11.58 2.53 0.00 4.61 0.00 -1.26 -4.57 120.51 133.41 1nvm n ALA 234 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nvm n ALA 234 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.68 0.82 3.84 0.00 0.00 0.09 -4.01 105.19 106.61 1nvm n GLY 235 Ca 0.07 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 0.34 -4.72 1.61 4.13 -0.12 -0.52 115.26 115.97 1nvm n ASN 236 Ca 0.00 -1.60 -0.42 0.00 1.68 0.00 0.00 54.58 54.24 1nvm n ASN 236 Cb 0.00 -0.94 -0.03 0.00 -1.54 0.00 0.00 39.78 37.27 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 2.81 -2.15 5.41 0.00 -1.12 -4.40 120.51 117.39 1nvm n ALA 237 Ca -0.20 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 1nvm n ALA 237 Cb 0.58 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 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 0.84 3.97 0.12 0.00 0.04 -1.26 -1.59 135.00 137.11 1nvm s PRO 238 Ca 0.73 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 1nvm s PRO 238 Cb -0.50 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.02 1nvm s PRO 238 CO 0.35 -1.08 1.68 1.25 0.04 0.00 0.00 177.00 179.24 1nvm h LEU 239 N 10.97 -0.39 -1.82 -3.56 5.85 -0.72 -0.40 115.31 125.24 1nvm h LEU 239 Ca -0.34 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1nvm h LEU 239 Cb 1.15 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1nvm h LEU 239 CO 0.99 -0.17 -0.11 1.05 -0.34 0.00 0.00 178.44 179.85 1nvm h GLU 240 N -0.17 0.00 -0.04 1.25 9.09 -1.87 -0.63 114.58 122.19 1nvm h GLU 240 Ca 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.42 1nvm h GLU 240 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1nvm h GLU 240 CO -0.19 0.11 -0.20 0.28 0.05 0.00 0.00 179.01 179.06 1nvm h VAL 241 N 0.00 1.46 -0.53 -1.06 2.07 -1.78 -0.97 116.25 115.44 1nvm h VAL 241 Ca -0.00 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 65.90 1nvm h VAL 241 Cb 0.20 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 1nvm h VAL 241 CO 0.01 0.46 0.26 0.15 0.02 0.00 0.00 177.57 178.48 1nvm h PHE 242 N -0.34 0.48 -0.69 1.57 3.57 -0.66 -0.79 116.94 120.08 1nvm h PHE 242 Ca -0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1nvm h PHE 242 Cb 0.86 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1nvm h PHE 242 CO 0.14 0.23 0.22 0.82 -2.23 0.00 0.00 178.31 177.49 1nvm h ILE 243 N 0.51 1.25 -0.60 1.41 1.08 -1.13 0.90 117.51 120.93 1nvm h ILE 243 Ca 0.24 -0.86 0.04 0.00 -0.39 0.00 0.00 64.86 63.88 1nvm h ILE 243 Cb 0.16 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 1nvm h ILE 243 CO -0.17 0.34 0.35 0.00 -0.69 0.00 0.00 178.15 177.98 1nvm h ALA 244 N 1.10 0.78 -0.28 1.87 0.00 -0.56 0.14 119.26 122.31 1nvm h ALA 244 Ca 0.22 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1nvm h ALA 244 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nvm h ALA 244 CO -0.01 0.07 -0.06 0.28 0.00 0.00 0.00 179.25 179.52 1nvm h VAL 245 N 0.68 1.28 -0.57 0.00 2.07 -0.83 -1.15 116.25 117.73 1nvm h VAL 245 Ca 0.25 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1nvm h VAL 245 Cb 0.07 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1nvm h VAL 245 CO -0.12 0.34 0.28 0.00 0.02 0.00 0.00 177.57 178.09 1nvm h ALA 246 N 0.78 0.74 -0.28 1.67 0.00 -0.55 0.39 119.26 122.01 1nvm h ALA 246 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nvm h ALA 246 Cb 0.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1nvm h ALA 246 CO 0.03 -0.07 0.13 1.49 0.00 0.00 0.00 179.25 180.83 1nvm h GLU 247 N 0.53 0.28 -0.49 0.00 4.57 -0.47 -0.12 114.58 118.89 1nvm h GLU 247 Ca 0.26 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 1nvm h GLU 247 Cb 0.19 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1nvm h GLU 247 CO -0.19 0.18 0.21 0.00 -1.18 0.00 0.00 179.01 178.03 1nvm h ARG 248 N 0.28 0.69 0.00 1.92 2.47 -0.47 -2.27 114.38 117.01 1nvm h ARG 248 Ca 0.12 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1nvm h ARG 248 Cb 0.04 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1nvm h ARG 248 CO -0.09 0.56 0.00 1.28 0.56 0.00 0.00 179.97 182.28 1nvm n LEU 249 N -4.36 0.00 0.00 3.04 4.77 0.06 -4.90 117.00 115.61 1nvm n LEU 249 Ca 0.04 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1nvm n LEU 249 Cb 0.14 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1nvm n LEU 249 CO 0.38 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1nvm n GLY 250 N 0.66 0.50 3.79 -0.72 0.00 -0.79 -5.04 105.19 103.58 1nvm n GLY 250 Ca 0.07 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 2.83 -1.21 1.61 0.51 -0.12 -4.86 118.94 115.70 1nvm s TRP 251 Ca 0.00 1.55 -0.13 0.00 -2.12 0.00 0.00 56.10 55.40 1nvm s TRP 251 Cb 0.00 -3.16 0.18 0.00 -0.81 0.00 0.00 33.47 29.69 1nvm s TRP 251 CO 0.00 -1.24 1.43 -1.71 -0.51 0.00 0.00 176.95 174.92 1nvm n ASN 252 N -1.37 5.26 0.11 2.95 5.15 -1.21 -4.59 115.26 121.56 1nvm n ASN 252 Ca 0.10 -3.00 0.03 0.00 -0.60 0.00 0.00 54.58 51.12 1nvm n ASN 252 Cb 0.52 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 1nvm n ASN 252 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 1nvm h HIS 253 N 6.98 0.00 -0.65 1.20 2.07 -1.87 0.27 115.15 123.14 1nvm h HIS 253 Ca 0.31 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.60 1nvm h HIS 253 Cb 0.85 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.75 1nvm h HIS 253 CO 1.07 0.43 -0.22 0.41 -3.07 0.00 0.00 177.93 176.55 1nvm n GLY 254 N 1.26 1.10 3.73 6.13 0.00 -1.26 -4.66 105.19 111.49 1nvm n GLY 254 Ca -0.01 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.43 1.44 -0.43 2.61 -4.23 -1.26 -4.74 115.64 106.59 1nvm s THR 255 Ca 0.00 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1nvm s THR 255 Cb 0.00 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1nvm s THR 255 CO 0.00 0.00 0.29 -0.62 -0.54 0.00 0.00 174.62 173.75 1nvm s ASP 256 N -3.86 5.72 0.16 3.99 -1.08 -0.57 -4.99 116.67 116.04 1nvm s ASP 256 Ca 0.16 -1.54 -0.16 0.00 -0.52 0.00 0.00 52.55 50.49 1nvm s ASP 256 Cb 0.04 -2.02 0.07 0.00 -1.46 0.00 0.00 42.92 39.54 1nvm s ASP 256 CO 0.08 -0.58 1.75 0.25 0.52 0.00 0.00 175.17 177.20 1nvm h LEU 257 N 8.46 0.15 -0.74 -1.34 5.85 -1.96 -2.65 115.31 123.09 1nvm h LEU 257 Ca -0.23 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1nvm h LEU 257 Cb 1.09 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1nvm h LEU 257 CO 0.79 0.12 0.48 0.22 -0.34 0.00 0.00 178.44 179.71 1nvm h TYR 258 N 0.29 0.90 -0.55 1.25 3.20 -1.99 0.45 116.97 120.52 1nvm h TYR 258 Ca 0.17 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1nvm h TYR 258 Cb 0.14 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1nvm h TYR 258 CO -0.14 0.53 0.29 1.15 -1.64 0.00 0.00 178.16 178.35 1nvm h THR 259 N 0.94 0.98 -0.34 1.81 2.02 -1.93 -1.31 112.91 115.09 1nvm h THR 259 Ca 0.29 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1nvm h THR 259 Cb -0.02 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1nvm h THR 259 CO -0.10 0.10 0.06 -0.07 0.37 0.00 0.00 175.52 175.89 1nvm h LEU 260 N 0.57 0.53 -0.73 2.58 3.38 -1.00 -1.12 115.31 119.51 1nvm h LEU 260 Ca 0.24 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nvm h LEU 260 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1nvm h LEU 260 CO -0.15 0.64 0.47 0.24 0.09 0.00 0.00 178.44 179.73 1nvm h MET 261 N 0.39 0.89 -0.34 1.13 2.86 -0.67 -0.96 114.93 118.24 1nvm h MET 261 Ca 0.10 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1nvm h MET 261 Cb 0.34 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1nvm h MET 261 CO 0.01 0.59 -0.12 -0.44 1.06 0.00 0.00 176.91 178.00 1nvm h ASP 262 N 0.92 0.69 -0.63 1.22 3.32 -1.16 -2.91 116.42 117.87 1nvm h ASP 262 Ca 0.29 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1nvm h ASP 262 Cb -0.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1nvm h ASP 262 CO -0.10 0.92 0.25 0.00 -1.72 0.00 0.00 179.24 178.60 1nvm h ALA 263 N 0.79 1.20 -0.52 3.45 0.00 -1.03 0.40 119.26 123.56 1nvm h ALA 263 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nvm h ALA 263 Cb 0.64 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1nvm h ALA 263 CO 0.04 0.58 0.33 0.00 0.00 0.00 0.00 179.25 180.19 1nvm h ALA 264 N 1.32 0.66 0.00 0.00 0.00 -1.12 -0.96 119.26 119.16 1nvm h ALA 264 Ca 0.22 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1nvm h ALA 264 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1nvm h ALA 264 CO -0.02 0.05 -1.88 -0.25 0.00 0.00 0.00 179.25 177.16 1nvm n ASP 265 N -4.76 0.38 0.03 0.00 9.92 -1.04 -1.24 116.55 119.85 1nvm n ASP 265 Ca 0.03 0.17 0.11 0.00 -0.53 0.00 0.00 54.79 54.57 1nvm n ASP 265 Cb 0.05 0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 41.33 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 -2.70 0.51 -0.02 -2.24 8.00 0.14 -4.40 116.55 115.83 1nvm n ASP 266 Ca -0.16 -0.06 -0.06 0.00 0.71 0.00 0.00 54.79 55.22 1nvm n ASP 266 Cb 0.89 1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 43.05 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 -2.19 0.60 0.01 0.53 5.41 -0.45 -4.81 119.36 118.46 1nvm n ILE 267 Ca -0.00 0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.57 1nvm n ILE 267 Cb 0.50 -1.63 -0.14 0.00 -0.71 0.00 0.00 39.64 37.65 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 -0.23 1.37 -0.90 1.39 2.07 -1.35 -3.34 116.25 115.26 1nvm h VAL 268 Ca -0.12 -2.45 0.10 0.00 0.82 0.00 0.00 66.70 65.05 1nvm h VAL 268 Cb 0.92 3.02 -0.08 0.00 -1.52 0.00 0.00 31.29 33.63 1nvm h VAL 268 CO -0.08 0.67 0.54 0.03 0.02 0.00 0.00 177.57 178.75 1nvm h ARG 269 N -0.48 0.86 -0.04 1.57 3.08 -1.38 0.81 114.38 118.79 1nvm h ARG 269 Ca -0.19 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1nvm h ARG 269 Cb 1.56 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1nvm h ARG 269 CO 0.08 0.57 0.10 -1.35 -1.07 0.00 0.00 179.97 178.30 1nvm h PRO 270 N 0.89 0.00 -0.00 0.04 0.11 -1.77 -1.11 132.00 130.16 1nvm h PRO 270 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1nvm h PRO 270 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1nvm h PRO 270 CO -0.25 0.00 -0.20 1.28 -0.21 0.00 0.00 178.00 178.62 1nvm n LEU 271 N -3.36 0.53 -4.69 2.35 4.77 0.28 -4.86 117.00 112.01 1nvm n LEU 271 Ca -0.02 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1nvm n LEU 271 Cb 0.18 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1nvm n LEU 271 CO 0.22 0.11 0.77 -1.10 -1.33 0.00 0.00 177.39 176.06 1nvm s GLN 272 N -2.65 4.46 -0.21 3.23 -0.21 -0.42 -4.88 119.66 118.98 1nvm s GLN 272 Ca 0.22 1.43 -0.11 0.00 0.02 0.00 0.00 55.36 56.92 1nvm s GLN 272 Cb 0.19 -3.52 -0.19 0.00 1.00 0.00 0.00 33.01 30.49 1nvm s GLN 272 CO 0.54 -0.25 0.06 -0.40 -2.12 0.00 0.00 175.29 173.12 1nvm n ASP 273 N 4.69 1.98 -4.44 5.90 5.75 -1.26 -4.77 116.55 124.40 1nvm n ASP 273 Ca 0.08 0.24 -0.40 0.00 -0.01 0.00 0.00 54.79 54.70 1nvm n ASP 273 Cb 0.49 -0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.48 3.18 0.08 0.11 3.00 -1.26 -5.05 118.95 116.53 1nvm s ARG 274 Ca -0.30 -0.84 -0.37 0.00 -1.00 0.00 0.00 55.73 53.22 1nvm s ARG 274 Cb 0.09 -3.71 -0.18 0.00 0.00 0.00 0.00 34.95 31.15 1nvm s ARG 274 CO 0.63 -0.54 1.16 -2.30 0.00 0.00 0.00 175.30 174.25 1nvm n PRO 275 N 5.03 0.69 -2.92 5.12 -0.02 -1.26 -4.89 135.00 136.75 1nvm n PRO 275 Ca -0.13 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 1nvm n PRO 275 Cb 0.48 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.15 1nvm n PRO 275 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nvm s VAL 276 N 0.10 4.45 0.24 -1.45 1.01 -1.26 -4.96 120.40 118.53 1nvm s VAL 276 Ca 0.83 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1nvm s VAL 276 Cb -1.04 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 30.72 1nvm s VAL 276 CO 0.52 -1.37 0.61 0.00 0.00 0.00 0.00 175.10 174.86 1nvm s ARG 277 N 3.72 1.60 -0.33 2.72 1.70 -1.26 -4.88 118.95 122.22 1nvm s ARG 277 Ca 0.20 -0.98 -0.24 0.00 -0.47 0.00 0.00 55.73 54.23 1nvm s ARG 277 Cb -0.19 0.56 0.01 0.00 -0.57 0.00 0.00 34.95 34.76 1nvm s ARG 277 CO 0.09 -0.71 0.84 0.08 -1.08 0.00 0.00 175.30 174.53 1nvm s VAL 278 N -3.92 4.71 0.00 4.99 1.01 -1.26 -4.36 120.40 121.57 1nvm s VAL 278 Ca 0.12 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1nvm s VAL 278 Cb -0.03 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1nvm s VAL 278 CO 0.04 -0.36 0.00 -0.90 0.00 0.00 0.00 175.10 173.87 1nvm n ASP 279 N 6.42 -0.01 -0.19 3.32 5.68 -1.26 -4.93 116.55 125.58 1nvm n ASP 279 Ca 0.05 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1nvm n ASP 279 Cb 0.48 0.01 0.10 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.19 -0.19 0.11 2.43 -1.98 0.14 114.38 115.07 1nvm h ARG 280 Ca -0.00 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 1nvm h ARG 280 Cb 0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1nvm h ARG 280 CO 0.00 0.12 -0.57 0.93 -1.51 0.00 0.00 179.97 178.94 1nvm h GLU 281 N 0.19 0.73 0.00 0.20 3.07 -1.96 -1.89 114.58 114.92 1nvm h GLU 281 Ca 0.30 -0.53 -0.16 0.00 -0.50 0.00 0.00 59.36 58.48 1nvm h GLU 281 Cb 0.47 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1nvm h GLU 281 CO -0.44 1.15 -0.74 1.79 -1.40 0.00 0.00 179.01 179.37 1nvm h THR 282 N 0.45 1.33 -0.40 1.13 1.35 -1.74 -2.66 112.91 112.37 1nvm h THR 282 Ca -0.02 -2.73 -0.09 0.00 -0.55 0.00 0.00 66.41 63.03 1nvm h THR 282 Cb 1.20 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 70.16 1nvm h THR 282 CO 0.12 0.73 -0.12 0.25 -0.25 0.00 0.00 175.52 176.25 1nvm h LEU 283 N 0.00 0.70 -0.80 3.87 5.85 -0.79 -2.04 115.31 122.10 1nvm h LEU 283 Ca -0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1nvm h LEU 283 Cb 1.50 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1nvm h LEU 283 CO 0.10 0.84 0.48 1.23 -0.34 0.00 0.00 178.44 180.75 1nvm h GLY 284 N 0.97 1.20 0.87 3.75 0.00 -1.02 -0.01 103.07 108.83 1nvm h GLY 284 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1nvm h GLY 284 CO 0.04 0.23 0.30 1.41 0.00 0.00 0.00 176.54 178.51 1nvm h LEU 285 N 0.88 0.48 -0.53 3.11 3.38 -1.05 -1.06 115.31 120.52 1nvm h LEU 285 Ca 0.35 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 1nvm h LEU 285 Cb 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1nvm h LEU 285 CO -0.18 0.34 0.07 1.23 0.09 0.00 0.00 178.44 179.99 1nvm h GLY 286 N 0.60 0.97 1.04 0.83 0.00 -1.08 0.26 103.07 105.69 1nvm h GLY 286 Ca 0.21 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 1nvm h GLY 286 CO -0.10 0.61 -0.49 -1.82 0.00 0.00 0.00 176.54 174.75 1nvm h TYR 287 N 0.78 0.94 0.00 5.60 3.20 -0.90 -3.22 116.97 123.37 1nvm h TYR 287 Ca 0.16 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1nvm h TYR 287 Cb 0.44 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1nvm h TYR 287 CO 0.03 1.14 -0.44 0.00 -1.64 0.00 0.00 178.16 177.26 1nvm h ALA 288 N 0.63 0.74 -3.48 1.82 0.00 -1.17 -3.49 119.26 114.32 1nvm h ALA 288 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1nvm h ALA 288 Cb 1.10 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.96 1nvm h ALA 288 CO 0.11 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.44 1nvm n GLY 289 N 1.25 0.14 3.76 0.00 0.00 0.81 -4.68 105.19 106.47 1nvm n GLY 289 Ca 0.03 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 4.94 -0.11 1.61 1.01 -0.62 -4.83 120.40 119.24 1nvm s VAL 290 Ca 0.07 -0.00 -0.38 0.00 0.00 0.00 0.00 61.98 61.67 1nvm s VAL 290 Cb -0.03 -3.14 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 1nvm s VAL 290 CO 0.32 0.58 1.59 0.00 0.00 0.00 0.00 175.10 177.59 1nvm n TYR 291 N 2.39 1.88 0.27 5.22 9.36 -1.26 -4.28 117.16 130.74 1nvm n TYR 291 Ca -0.19 0.53 0.12 0.00 3.32 0.00 0.00 57.90 61.68 1nvm n TYR 291 Cb 0.54 -2.43 0.76 0.00 -0.63 0.00 0.00 39.34 37.58 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 6.29 0.00 0.55 2.98 0.02 -1.59 -2.27 113.55 119.53 1nvm h SER 292 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1nvm h SER 292 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1nvm h SER 292 CO 0.89 0.05 0.00 -1.54 -1.14 0.00 0.00 176.83 175.09 1nvm n SER 293 N -4.01 0.37 0.11 3.07 3.41 -1.26 -2.17 113.62 113.14 1nvm n SER 293 Ca -0.03 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1nvm n SER 293 Cb 0.14 -0.68 0.46 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.92 0.68 0.11 7.33 3.72 -0.85 -4.11 117.46 122.41 1nvm n PHE 294 Ca 0.02 0.27 -0.15 0.00 -0.05 0.00 0.00 57.45 57.55 1nvm n PHE 294 Cb 0.18 -0.94 -0.08 0.00 -0.94 0.00 0.00 39.48 37.70 1nvm n PHE 294 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nvm h LEU 295 N 0.00 -1.35 -0.60 4.37 5.85 -1.67 0.20 115.31 122.11 1nvm h LEU 295 Ca 0.00 0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1nvm h LEU 295 Cb 0.33 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1nvm h LEU 295 CO 0.00 -0.51 -0.55 0.03 -0.34 0.00 0.00 178.44 177.07 1nvm h ARG 296 N -0.67 0.00 -0.18 1.25 2.47 -1.86 -0.89 114.38 114.50 1nvm h ARG 296 Ca 0.02 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1nvm h ARG 296 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 1nvm h ARG 296 CO -0.27 0.55 -0.51 0.45 0.56 0.00 0.00 179.97 180.75 1nvm h HIS 297 N 0.00 0.63 -0.10 3.04 3.86 -1.69 -1.38 115.15 119.52 1nvm h HIS 297 Ca -0.01 -0.21 -0.15 0.00 -1.16 0.00 0.00 60.37 58.84 1nvm h HIS 297 Cb 1.16 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1nvm h HIS 297 CO 0.00 0.92 -0.60 0.00 0.86 0.00 0.00 177.93 179.10 1nvm h ALA 298 N 1.04 0.78 -0.26 2.45 0.00 -0.20 -2.07 119.26 120.99 1nvm h ALA 298 Ca 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1nvm h ALA 298 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nvm h ALA 298 CO 0.09 0.72 -0.38 0.93 0.00 0.00 0.00 179.25 180.61 1nvm h GLU 299 N 0.26 0.61 -0.36 0.00 5.08 -0.83 0.56 114.58 119.89 1nvm h GLU 299 Ca -0.01 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 1nvm h GLU 299 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1nvm h GLU 299 CO 0.10 0.89 -0.15 0.82 -1.00 0.00 0.00 179.01 179.67 1nvm h ILE 300 N 0.51 1.28 -0.24 3.13 2.04 -1.12 -2.67 117.51 120.45 1nvm h ILE 300 Ca 0.05 -1.26 -0.12 0.00 1.00 0.00 0.00 64.86 64.52 1nvm h ILE 300 Cb 0.89 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1nvm h ILE 300 CO 0.08 0.42 -0.36 0.00 0.00 0.00 0.00 178.15 178.28 1nvm h ALA 301 N 0.80 0.93 -0.41 1.87 0.00 -1.18 -1.06 119.26 120.21 1nvm h ALA 301 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nvm h ALA 301 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nvm h ALA 301 CO 0.05 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.16 1nvm h ALA 302 N 1.17 0.53 -0.04 0.00 0.00 -0.69 0.91 119.26 121.14 1nvm h ALA 302 Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1nvm h ALA 302 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nvm h ALA 302 CO 0.07 0.03 -0.74 0.00 0.00 0.00 0.00 179.25 178.61 1nvm h ALA 303 N 1.10 0.67 -0.16 0.00 0.00 -1.48 0.67 119.26 120.06 1nvm h ALA 303 Ca 0.15 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1nvm h ALA 303 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nvm h ALA 303 CO -0.03 0.82 -0.41 -0.22 0.00 0.00 0.00 179.25 179.41 1nvm h LYS 304 N 0.16 0.56 -0.71 0.00 3.64 -0.89 -3.21 116.57 116.11 1nvm h LYS 304 Ca -0.03 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1nvm h LYS 304 Cb 1.31 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1nvm h LYS 304 CO 0.12 1.01 0.00 0.66 -2.27 0.00 0.00 179.45 178.96 1nvm n TYR 305 N -4.27 1.03 -3.50 1.91 4.01 0.29 -4.98 117.16 111.65 1nvm n TYR 305 Ca -0.07 -0.50 -0.22 0.00 -0.16 0.00 0.00 57.90 56.96 1nvm n TYR 305 Cb 0.54 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.60 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 1.55 -4.51 -4.19 7.72 5.15 -0.33 -4.98 115.26 115.65 1nvm n ASN 306 Ca 0.24 -0.82 -0.25 0.00 -0.60 0.00 0.00 54.58 53.15 1nvm n ASN 306 Cb 0.64 -4.38 -0.09 0.00 -0.53 0.00 0.00 39.78 35.43 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 -6.11 2.02 -0.14 1.20 1.43 0.22 -5.00 118.68 112.29 1nvm s LEU 307 Ca 0.31 -1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 51.61 1nvm s LEU 307 Cb -0.07 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 1nvm s LEU 307 CO 0.79 -0.87 0.48 -0.54 0.23 0.00 0.00 176.35 176.43 1nvm s LYS 308 N -3.75 4.29 0.21 1.70 1.02 -1.26 -4.32 119.74 117.63 1nvm s LYS 308 Ca 0.26 0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 1nvm s LYS 308 Cb 0.04 -3.47 0.27 0.00 -0.52 0.00 0.00 37.83 34.14 1nvm s LYS 308 CO 0.14 0.07 1.65 1.15 -0.92 0.00 0.00 175.35 177.44 1nvm h THR 309 N 4.84 0.45 -0.97 2.17 2.02 -1.90 -1.20 112.91 118.31 1nvm h THR 309 Ca -0.39 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 66.88 1nvm h THR 309 Cb 1.17 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 67.88 1nvm h THR 309 CO 0.75 0.01 0.62 0.25 0.37 0.00 0.00 175.52 177.52 1nvm h LEU 310 N 0.07 0.88 -0.76 2.58 5.85 -1.93 -1.02 115.31 120.97 1nvm h LEU 310 Ca 0.31 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1nvm h LEU 310 Cb 0.50 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1nvm h LEU 310 CO -0.57 0.48 -0.08 0.44 -0.34 0.00 0.00 178.44 178.38 1nvm h ASP 311 N 0.95 0.85 -0.29 1.25 3.32 -1.64 -0.83 116.42 120.02 1nvm h ASP 311 Ca 0.47 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1nvm h ASP 311 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1nvm h ASP 311 CO -0.23 0.95 0.06 0.40 -1.72 0.00 0.00 179.24 178.70 1nvm h ILE 312 N 0.78 1.22 -0.66 0.35 2.04 -0.94 -2.43 117.51 117.86 1nvm h ILE 312 Ca 0.13 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1nvm h ILE 312 Cb 0.58 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1nvm h ILE 312 CO 0.04 0.24 0.37 -0.07 0.00 0.00 0.00 178.15 178.73 1nvm h LEU 313 N 0.30 0.82 -0.56 1.44 3.38 -1.00 -0.67 115.31 119.02 1nvm h LEU 313 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nvm h LEU 313 Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1nvm h LEU 313 CO 0.00 0.67 0.27 0.58 0.09 0.00 0.00 178.44 180.05 1nvm h VAL 314 N 0.90 1.20 -0.50 1.22 2.07 -1.03 -1.13 116.25 118.98 1nvm h VAL 314 Ca 0.23 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1nvm h VAL 314 Cb 0.02 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1nvm h VAL 314 CO -0.04 0.23 -0.08 -0.08 0.02 0.00 0.00 177.57 177.62 1nvm h GLU 315 N 0.76 0.95 -0.96 1.57 4.57 -1.28 -0.12 114.58 120.07 1nvm h GLU 315 Ca 0.19 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 1nvm h GLU 315 Cb 0.11 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1nvm h GLU 315 CO -0.03 1.00 0.63 -0.07 -1.18 0.00 0.00 179.01 179.37 1nvm h LEU 316 N 0.81 1.02 -0.57 1.64 3.38 -0.79 -0.83 115.31 119.96 1nvm h LEU 316 Ca 0.13 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1nvm h LEU 316 Cb 0.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nvm h LEU 316 CO 0.04 0.68 -0.23 1.23 0.09 0.00 0.00 178.44 180.25 1nvm h GLY 317 N 1.17 0.97 1.24 0.83 0.00 -0.77 -2.60 103.07 103.91 1nvm h GLY 317 Ca 0.39 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1nvm h GLY 317 CO -0.13 0.78 0.40 0.84 0.00 0.00 0.00 176.54 178.43 1nvm h HIS 318 N 0.77 0.97 0.00 5.60 -0.00 -0.01 -1.92 115.15 120.57 1nvm h HIS 318 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1nvm h HIS 318 Cb 0.78 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1nvm h HIS 318 CO 0.05 0.67 0.00 0.54 -0.00 0.00 0.00 177.93 179.19 1nvm n ARG 319 N -4.37 0.34 -3.43 5.26 1.74 -0.42 -4.93 116.66 110.86 1nvm n ARG 319 Ca 0.07 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 57.01 1nvm n ARG 319 Cb 0.09 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.12 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 -6.76 -2.49 5.56 1.74 -0.72 -4.98 116.66 107.70 1nvm n ARG 320 Ca 0.12 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.68 1nvm n ARG 320 Cb 0.22 -5.78 -0.03 0.00 -1.02 0.00 0.00 32.46 25.86 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 -5.55 3.77 0.35 5.56 -1.94 -1.16 -5.06 119.30 115.27 1nvm s MET 321 Ca 0.14 1.43 0.02 0.00 -1.71 0.00 0.00 55.69 55.57 1nvm s MET 321 Cb -0.06 -2.14 0.02 0.00 2.01 0.00 0.00 34.83 34.66 1nvm s MET 321 CO 0.71 -0.47 0.17 1.33 -0.01 0.00 0.00 175.02 176.75 1nvm n VAL 322 N -0.91 0.00 -1.70 -6.03 0.24 -1.26 -4.72 118.33 103.95 1nvm n VAL 322 Ca 0.09 -1.46 -0.39 0.00 -2.04 0.00 0.00 64.34 60.54 1nvm n VAL 322 Cb 0.52 -0.02 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 1nvm n VAL 322 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nvm n GLY 323 N 0.84 0.48 2.65 7.63 0.00 -1.26 -2.70 105.19 112.82 1nvm n GLY 323 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.87 1.45 2.38 -0.02 0.00 -1.26 -4.94 105.19 103.67 1nvm n GLY 324 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 2.56 0.24 1.61 6.02 -1.10 -4.62 117.38 120.09 1nvm n GLN 325 Ca 0.00 -3.03 0.11 0.00 -0.01 0.00 0.00 57.00 54.07 1nvm n GLN 325 Cb 0.00 -2.18 0.70 0.00 1.02 0.00 0.00 30.24 29.78 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 2.16 0.00 0.00 -1.09 3.07 -1.87 -0.97 114.58 115.88 1nvm h GLU 326 Ca 0.55 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.40 1nvm h GLU 326 Cb 0.67 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1nvm h GLU 326 CO 1.41 0.00 -0.04 0.38 -1.40 0.00 0.00 179.01 179.36 1nvm h ASP 327 N 0.00 0.00 0.76 1.42 2.03 -1.84 -1.28 116.42 117.51 1nvm h ASP 327 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1nvm h ASP 327 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1nvm h ASP 327 CO -0.00 0.04 0.00 0.23 -1.03 0.00 0.00 179.24 178.48 1nvm n MET 328 N -4.22 0.13 -0.10 4.15 2.81 -0.37 -2.71 117.12 116.80 1nvm n MET 328 Ca -0.03 0.31 -0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1nvm n MET 328 Cb 0.13 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 30.88 1nvm n MET 328 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1nvm h ILE 329 N 0.00 1.29 -0.14 2.02 2.04 -1.34 -0.74 117.51 120.65 1nvm h ILE 329 Ca 0.00 -1.27 -0.14 0.00 1.00 0.00 0.00 64.86 64.45 1nvm h ILE 329 Cb 0.38 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1nvm h ILE 329 CO 0.00 0.41 -0.50 0.58 0.00 0.00 0.00 178.15 178.64 1nvm h VAL 330 N 0.41 1.33 -0.39 1.67 2.07 -1.63 -1.25 116.25 118.47 1nvm h VAL 330 Ca 0.07 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1nvm h VAL 330 Cb 0.69 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1nvm h VAL 330 CO 0.05 0.52 0.18 -0.78 0.02 0.00 0.00 177.57 177.56 1nvm h ASP 331 N 0.29 0.52 -0.31 0.57 3.58 -1.35 -0.68 116.42 119.03 1nvm h ASP 331 Ca 0.01 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1nvm h ASP 331 Cb 0.98 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1nvm h ASP 331 CO 0.08 0.51 0.10 0.58 -2.88 0.00 0.00 179.24 177.64 1nvm h VAL 332 N 0.49 1.20 -0.62 2.25 2.07 -1.01 -0.78 116.25 119.85 1nvm h VAL 332 Ca 0.13 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1nvm h VAL 332 Cb 0.14 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1nvm h VAL 332 CO -0.02 0.22 0.39 0.00 0.02 0.00 0.00 177.57 178.19 1nvm h ALA 333 N 0.94 0.80 -0.52 1.67 0.00 -0.86 0.43 119.26 121.73 1nvm h ALA 333 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nvm h ALA 333 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1nvm h ALA 333 CO -0.00 0.16 0.10 -0.07 0.00 0.00 0.00 179.25 179.44 1nvm h LEU 334 N 0.79 0.76 -0.57 0.00 3.38 -0.90 0.22 115.31 118.97 1nvm h LEU 334 Ca 0.24 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1nvm h LEU 334 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nvm h LEU 334 CO -0.08 0.76 -0.50 0.44 0.09 0.00 0.00 178.44 179.14 1nvm h ASP 335 N 0.77 0.60 -0.45 -0.43 3.32 -0.43 -1.66 116.42 118.15 1nvm h ASP 335 Ca 0.17 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 1nvm h ASP 335 Cb 0.32 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1nvm h ASP 335 CO 0.00 1.00 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.24 1nvm h LEU 336 N 0.43 0.96 0.11 1.55 3.38 -0.52 0.12 115.31 121.34 1nvm h LEU 336 Ca 0.02 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1nvm h LEU 336 Cb 1.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1nvm h LEU 336 CO 0.09 1.15 -0.09 -0.07 0.09 0.00 0.00 178.44 179.61 1nvm h LEU 337 N 0.77 -0.23 -0.91 1.67 3.38 -0.86 -2.76 115.31 116.37 1nvm h LEU 337 Ca 0.10 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1nvm h LEU 337 Cb 0.78 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1nvm h LEU 337 CO 0.06 -0.14 0.60 0.00 0.09 0.00 0.00 178.44 179.05 1nvm h ALA 338 N 0.67 1.16 0.00 1.53 0.00 -1.10 -3.51 119.26 118.01 1nvm h ALA 338 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nvm h ALA 338 Cb 0.19 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nvm h ALA 338 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.78