#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 3.20 0.02 -1.42 0.40 -1.26 -5.07 117.98 113.86 1nvm s PHE 3 Ca 0.00 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1nvm s PHE 3 Cb 0.00 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 1nvm s PHE 3 CO 0.00 -0.56 0.07 -0.80 0.70 0.00 0.00 175.22 174.62 1nvm s ASN 4 N 1.75 0.15 0.49 1.36 -0.87 -1.26 -5.15 114.94 111.41 1nvm s ASN 4 Ca 0.09 -0.41 -0.24 0.00 -1.57 0.00 0.00 52.86 50.73 1nvm s ASN 4 Cb -0.17 0.18 -0.07 0.00 -0.02 0.00 0.00 41.25 41.16 1nvm s ASN 4 CO 0.12 -0.39 1.42 -2.65 -2.57 0.00 0.00 177.10 173.02 1nvm n PRO 5 N 1.27 2.08 -1.98 -0.60 -0.02 -1.26 -4.95 135.00 129.54 1nvm n PRO 5 Ca -0.22 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 1nvm n PRO 5 Cb 0.56 -2.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1nvm n PRO 5 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1nvm s SER 6 N -0.61 5.58 0.01 2.55 1.04 -1.26 -4.98 113.70 116.02 1nvm s SER 6 Ca 0.65 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.68 1nvm s SER 6 Cb -0.44 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.09 1nvm s SER 6 CO 0.55 -1.31 1.22 -0.75 0.98 0.00 0.00 173.24 173.93 1nvm s LYS 7 N -3.99 4.39 -0.38 4.02 2.20 -1.26 -5.01 119.74 119.71 1nvm s LYS 7 Ca 0.65 1.75 -0.22 0.00 -0.36 0.00 0.00 55.97 57.80 1nvm s LYS 7 Cb -0.18 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1nvm s LYS 7 CO 0.37 -0.35 0.71 0.21 -0.36 0.00 0.00 175.35 175.92 1nvm s LYS 8 N 1.60 3.64 0.40 4.03 2.47 -1.26 -4.20 119.74 126.41 1nvm s LYS 8 Ca 0.58 0.09 -0.25 0.00 -1.56 0.00 0.00 55.97 54.83 1nvm s LYS 8 Cb -0.28 -3.84 -0.08 0.00 -1.46 0.00 0.00 37.83 32.17 1nvm s LYS 8 CO 0.26 -0.85 1.18 -1.17 0.16 0.00 0.00 175.35 174.94 1nvm s LEU 9 N 2.93 4.21 -0.25 5.43 2.96 0.52 -5.00 118.68 129.47 1nvm s LEU 9 Ca 0.27 2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 56.43 1nvm s LEU 9 Cb -0.14 -4.00 -0.04 0.00 0.50 0.00 0.00 46.19 42.51 1nvm s LEU 9 CO 0.17 -0.68 0.31 -0.47 -1.32 0.00 0.00 176.35 174.36 1nvm s TYR 10 N -1.39 3.27 -0.32 5.38 6.14 -0.72 -4.77 117.35 124.94 1nvm s TYR 10 Ca 0.57 0.36 -0.07 0.00 0.64 0.00 0.00 57.07 58.57 1nvm s TYR 10 Cb -0.31 -2.48 0.02 0.00 0.42 0.00 0.00 41.96 39.61 1nvm s TYR 10 CO 0.40 -0.13 0.11 0.42 0.64 0.00 0.00 175.55 176.98 1nvm s ILE 11 N 1.72 4.00 -0.40 3.14 -1.09 -1.26 -1.42 121.20 125.89 1nvm s ILE 11 Ca 0.13 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 1nvm s ILE 11 Cb -0.15 -3.15 0.07 0.00 -1.58 0.00 0.00 42.46 37.65 1nvm s ILE 11 CO 0.09 -0.05 0.22 -0.55 -1.23 0.00 0.00 174.94 173.42 1nvm s SER 12 N 1.48 5.55 0.08 3.58 0.15 -0.41 -1.04 113.70 123.08 1nvm s SER 12 Ca 0.01 -1.47 -0.24 0.00 0.70 0.00 0.00 55.95 54.95 1nvm s SER 12 Cb -0.18 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.11 1nvm s SER 12 CO 0.03 -0.50 0.74 -0.62 1.20 0.00 0.00 173.24 174.09 1nvm s ASP 13 N 1.95 7.24 -0.14 5.45 -1.08 -0.11 -1.73 116.67 128.25 1nvm s ASP 13 Ca 0.03 1.47 0.15 0.00 -0.52 0.00 0.00 52.55 53.68 1nvm s ASP 13 Cb -0.22 -2.46 0.32 0.00 -1.46 0.00 0.00 42.92 39.09 1nvm s ASP 13 CO 0.02 0.11 1.16 1.33 0.52 0.00 0.00 175.17 178.31 1nvm n VAL 14 N 2.30 1.73 -0.20 1.11 0.24 -0.25 -1.05 118.33 122.22 1nvm n VAL 14 Ca -0.05 -2.34 0.02 0.00 -2.04 0.00 0.00 64.34 59.93 1nvm n VAL 14 Cb 0.50 -0.11 0.27 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.31 1.16 -0.52 3.34 2.02 -1.81 -0.16 112.91 118.25 1nvm h THR 15 Ca -0.01 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1nvm h THR 15 Cb 1.08 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1nvm h THR 15 CO 0.01 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1nvm n LEU 16 N -4.44 3.50 0.00 2.58 4.77 -1.24 -2.60 117.00 119.58 1nvm n LEU 16 Ca 0.08 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 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 0.68 0.00 -1.14 -1.33 0.00 0.00 177.39 175.95 1nvm n ARG 17 N 0.92 0.00 -0.27 3.23 0.00 -0.63 -2.76 116.66 117.14 1nvm n ARG 17 Ca 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.06 1nvm n ARG 17 Cb 0.63 0.00 0.22 0.00 0.00 0.00 0.00 32.46 33.31 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 0.93 0.41 6.15 -0.00 -1.30 -0.99 116.42 121.62 1nvm h ASP 18 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.01 1nvm h ASP 18 Cb 0.00 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.11 1nvm h ASP 18 CO 0.00 0.65 -0.01 1.23 -0.00 0.00 0.00 179.24 181.11 1nvm h GLY 19 N 1.08 0.00 1.17 -0.78 0.00 -1.18 -1.33 103.07 102.03 1nvm h GLY 19 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.72 1nvm h GLY 19 CO -0.09 0.00 0.41 0.23 0.00 0.00 0.00 176.54 177.09 1nvm h SER 20 N 0.00 0.54 -0.87 0.19 0.87 -1.25 -0.96 113.55 112.08 1nvm h SER 20 Ca -0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1nvm h SER 20 Cb 0.22 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1nvm h SER 20 CO 0.00 0.35 0.56 0.45 -0.53 0.00 0.00 176.83 177.66 1nvm h HIS 21 N 0.62 1.05 0.00 2.24 -0.00 -1.35 0.70 115.15 118.40 1nvm h HIS 21 Ca 0.27 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.62 1nvm h HIS 21 Cb 0.26 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1nvm h HIS 21 CO -0.00 0.60 -0.21 0.00 -0.00 0.00 0.00 177.93 178.31 1nvm h ALA 22 N 1.37 1.45 -0.47 2.45 0.00 -1.30 -2.66 119.26 120.10 1nvm h ALA 22 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nvm h ALA 22 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nvm h ALA 22 CO -0.12 0.27 0.00 1.51 0.00 0.00 0.00 179.25 180.91 1nvm n ILE 23 N -4.00 1.83 -3.96 0.00 3.06 -1.02 -4.64 119.36 110.63 1nvm n ILE 23 Ca -0.02 -1.36 -0.30 0.00 -2.50 0.00 0.00 62.75 58.57 1nvm n ILE 23 Cb 0.29 0.08 0.01 0.00 0.54 0.00 0.00 39.64 40.57 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 0.50 -4.87 -3.18 9.51 1.74 -0.76 -1.90 116.66 117.69 1nvm n ARG 24 Ca 0.21 0.54 -0.23 0.00 -0.77 0.00 0.00 57.85 57.61 1nvm n ARG 24 Cb 0.81 -5.32 0.04 0.00 -1.02 0.00 0.00 32.46 26.97 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 -4.57 -2.15 -1.09 -1.55 8.25 0.17 -4.78 115.22 109.50 1nvm n HIS 25 Ca -0.01 0.62 0.03 0.00 -0.26 0.00 0.00 57.72 58.10 1nvm n HIS 25 Cb 0.54 -4.48 0.27 0.00 1.12 0.00 0.00 29.99 27.44 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 -4.22 3.01 -1.72 -0.41 1.13 -0.80 -0.78 117.38 113.59 1nvm n GLN 26 Ca -0.08 -2.99 -0.40 0.00 -1.94 0.00 0.00 57.00 51.59 1nvm n GLN 26 Cb 0.60 -1.95 0.02 0.00 0.11 0.00 0.00 30.24 29.02 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 -0.49 2.23 -2.45 1.08 4.01 -1.26 -4.87 117.16 115.41 1nvm n TYR 27 Ca 0.28 0.47 -0.24 0.00 -0.16 0.00 0.00 57.90 58.26 1nvm n TYR 27 Cb 1.05 -2.38 0.07 0.00 -0.31 0.00 0.00 39.34 37.77 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 -1.22 2.39 0.26 -0.72 -4.23 -1.26 -4.65 115.64 106.21 1nvm s THR 28 Ca 0.63 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1nvm s THR 28 Cb -0.48 -2.90 0.04 0.00 1.34 0.00 0.00 72.50 70.50 1nvm s THR 28 CO 0.56 0.00 1.67 -0.07 -0.54 0.00 0.00 174.62 176.25 1nvm h LEU 29 N -0.37 0.50 -0.78 4.79 3.38 -1.99 -2.48 115.31 118.37 1nvm h LEU 29 Ca -0.42 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 1nvm h LEU 29 Cb 1.29 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1nvm h LEU 29 CO 0.52 0.79 0.27 0.44 0.09 0.00 0.00 178.44 180.55 1nvm h ASP 30 N 0.42 1.10 0.14 -0.43 3.32 -1.99 -1.42 116.42 117.56 1nvm h ASP 30 Ca 0.05 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1nvm h ASP 30 Cb 0.77 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1nvm h ASP 30 CO 0.06 1.00 -0.20 0.44 -1.72 0.00 0.00 179.24 178.82 1nvm h ASP 31 N 1.14 -0.54 -0.08 6.45 3.32 -1.88 0.09 116.42 124.93 1nvm h ASP 31 Ca 0.25 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 1nvm h ASP 31 Cb 0.27 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1nvm h ASP 31 CO -0.01 -0.28 -0.16 -0.37 -1.72 0.00 0.00 179.24 176.69 1nvm h VAL 32 N -0.39 1.23 -0.56 -1.35 -1.51 -1.22 0.78 116.25 113.23 1nvm h VAL 32 Ca 0.02 -1.06 -0.09 0.00 -1.23 0.00 0.00 66.70 64.33 1nvm h VAL 32 Cb 0.40 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1nvm h VAL 32 CO -0.08 0.34 0.01 0.03 -1.23 0.00 0.00 177.57 176.64 1nvm h ARG 33 N 0.41 0.98 -0.31 5.19 3.08 -1.03 0.52 114.38 123.21 1nvm h ARG 33 Ca 0.07 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1nvm h ARG 33 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1nvm h ARG 33 CO 0.03 0.98 -0.04 0.00 -1.07 0.00 0.00 179.97 179.87 1nvm h ALA 34 N 0.97 0.42 -0.11 0.04 0.00 -0.57 -0.29 119.26 119.71 1nvm h ALA 34 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nvm h ALA 34 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nvm h ALA 34 CO 0.03 0.21 0.02 0.82 0.00 0.00 0.00 179.25 180.33 1nvm h ILE 35 N 0.35 1.21 -0.89 0.00 2.04 -0.78 -2.38 117.51 117.05 1nvm h ILE 35 Ca 0.08 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1nvm h ILE 35 Cb 0.51 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1nvm h ILE 35 CO 0.02 0.19 0.55 0.00 0.00 0.00 0.00 178.15 178.92 1nvm h ALA 36 N 0.80 1.30 -0.57 1.87 0.00 -0.81 -1.58 119.26 120.28 1nvm h ALA 36 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nvm h ALA 36 Cb 0.28 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nvm h ALA 36 CO 0.00 0.62 0.36 0.00 0.00 0.00 0.00 179.25 180.22 1nvm h ARG 37 N 1.22 0.69 -0.38 0.00 3.08 -0.94 -0.24 114.38 117.82 1nvm h ARG 37 Ca 0.32 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1nvm h ARG 37 Cb -0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1nvm h ARG 37 CO -0.06 0.46 0.13 0.00 -1.07 0.00 0.00 179.97 179.42 1nvm h ALA 38 N 1.24 0.49 -0.75 0.04 0.00 -1.05 -0.50 119.26 118.73 1nvm h ALA 38 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nvm h ALA 38 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1nvm h ALA 38 CO -0.08 0.12 0.36 -0.07 0.00 0.00 0.00 179.25 179.58 1nvm h LEU 39 N 0.46 0.98 -0.46 0.00 3.38 -1.10 -1.04 115.31 117.53 1nvm h LEU 39 Ca 0.12 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1nvm h LEU 39 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1nvm h LEU 39 CO -0.01 0.83 -0.12 -0.78 0.09 0.00 0.00 178.44 178.45 1nvm h ASP 40 N 1.05 0.91 -0.85 -0.43 3.58 -0.89 -2.00 116.42 117.79 1nvm h ASP 40 Ca 0.26 -0.37 0.01 0.00 0.42 0.00 0.00 57.03 57.35 1nvm h ASP 40 Cb 0.12 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1nvm h ASP 40 CO -0.03 1.07 0.56 0.50 -2.88 0.00 0.00 179.24 178.45 1nvm h LYS 41 N 0.74 1.09 0.00 0.28 3.64 -0.89 -1.56 116.57 119.87 1nvm h LYS 41 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nvm h LYS 41 Cb 0.67 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1nvm h LYS 41 CO 0.05 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.95 1nvm n ALA 42 N -2.41 1.77 -2.90 5.00 0.00 -0.41 -4.83 120.51 116.74 1nvm n ALA 42 Ca 0.10 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1nvm n ALA 42 Cb 0.04 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.93 -3.38 -1.11 0.00 5.02 -0.59 -1.34 118.16 114.82 1nvm n LYS 43 Ca 0.03 0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 56.44 1nvm n LYS 43 Cb 0.24 -4.21 0.13 0.00 -0.02 0.00 0.00 35.03 31.17 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 -3.05 2.76 0.07 -0.18 -7.23 -1.04 -4.62 120.40 107.10 1nvm s VAL 44 Ca 0.24 0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1nvm s VAL 44 Cb -0.11 -2.64 -0.24 0.00 0.56 0.00 0.00 36.38 33.95 1nvm s VAL 44 CO 0.30 -0.32 1.09 0.44 -0.31 0.00 0.00 175.10 176.29 1nvm h ASP 45 N -1.52 0.13 -5.01 4.85 5.19 -1.46 -3.36 116.42 115.25 1nvm h ASP 45 Ca -0.47 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 55.69 1nvm h ASP 45 Cb 1.27 -0.04 -0.18 0.00 0.18 0.00 0.00 39.33 40.55 1nvm h ASP 45 CO 0.51 1.13 -0.07 -0.94 -3.12 0.00 0.00 179.24 176.75 1nvm s SER 46 N -6.72 -0.37 -0.24 6.45 1.04 -1.14 -2.03 113.70 110.69 1nvm s SER 46 Ca -0.02 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.66 1nvm s SER 46 Cb 0.09 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1nvm s SER 46 CO 0.84 -0.58 -0.08 -0.63 0.98 0.00 0.00 173.24 173.76 1nvm s ILE 47 N -1.73 1.82 -0.02 -1.02 1.01 -0.28 -0.93 121.20 120.05 1nvm s ILE 47 Ca -0.10 -1.39 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 1nvm s ILE 47 Cb -0.02 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1nvm s ILE 47 CO 0.03 -0.05 0.71 -0.70 0.00 0.00 0.00 174.94 174.93 1nvm s GLU 48 N 1.27 4.44 -0.06 2.79 2.12 -0.21 -0.88 118.70 128.16 1nvm s GLU 48 Ca -0.07 0.92 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 1nvm s GLU 48 Cb -0.19 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.82 1nvm s GLU 48 CO -0.06 0.17 0.00 0.08 -0.54 0.00 0.00 175.26 174.92 1nvm s VAL 49 N 0.40 0.33 0.00 3.70 1.01 0.12 -2.95 120.40 123.01 1nvm s VAL 49 Ca 0.37 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1nvm s VAL 49 Cb -0.19 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1nvm s VAL 49 CO 0.20 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.53 1nvm n ALA 50 N 4.97 0.00 -1.10 5.51 0.00 -1.11 -4.56 120.51 124.22 1nvm n ALA 50 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1nvm n ALA 50 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.08 1nvm n ALA 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1nvm s HIS 51 N -2.00 1.86 0.40 0.00 5.65 -1.26 -4.15 115.29 115.79 1nvm s HIS 51 Ca 0.00 1.67 0.12 0.00 0.25 0.00 0.00 55.06 57.10 1nvm s HIS 51 Cb 0.00 -3.44 0.93 0.00 -1.18 0.00 0.00 32.58 28.89 1nvm s HIS 51 CO 0.00 -2.74 1.92 0.78 -0.65 0.00 0.00 174.74 174.05 1nvm h GLY 52 N -0.95 0.86 -2.33 1.59 0.00 -1.89 0.34 103.07 100.70 1nvm h GLY 52 Ca -0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1nvm h GLY 52 CO 0.46 0.11 0.04 1.22 0.00 0.00 0.00 176.54 178.37 1nvm n ASP 53 N -4.50 3.29 0.00 0.19 8.00 -1.26 -4.75 116.55 117.52 1nvm n ASP 53 Ca 0.14 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1nvm n ASP 53 Cb 0.43 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.22 -2.25 3.69 0.44 0.00 0.11 -4.41 105.19 102.99 1nvm n GLY 54 Ca 0.15 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 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 3.47 -1.63 0.99 4.77 0.24 -0.51 117.00 124.32 1nvm n LEU 55 Ca 0.00 1.10 -0.17 0.00 -0.03 0.00 0.00 56.01 56.91 1nvm n LEU 55 Cb 0.00 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 1nvm n LEU 55 CO 0.00 -0.16 -0.19 0.00 -1.33 0.00 0.00 177.39 175.71 1nvm n GLN 56 N 3.12 -1.25 0.25 3.23 1.13 -1.26 -3.43 117.38 119.16 1nvm n GLN 56 Ca 0.15 0.92 0.14 0.00 -1.94 0.00 0.00 57.00 56.27 1nvm n GLN 56 Cb 0.32 -5.25 0.46 0.00 0.11 0.00 0.00 30.24 25.88 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 -5.48 1.08 0.00 -1.01 -3.45 103.07 94.21 1nvm h GLY 57 Ca -0.37 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.37 1nvm h GLY 57 CO 0.48 0.00 1.05 -1.26 0.00 0.00 0.00 176.54 176.81 1nvm n SER 58 N -3.12 3.50 -3.64 0.19 2.88 -1.26 -4.56 113.62 107.62 1nvm n SER 58 Ca 0.02 0.99 0.01 0.00 -1.33 0.00 0.00 58.87 58.56 1nvm n SER 58 Cb 0.41 -1.41 -0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 3.32 -0.07 0.20 -3.46 1.04 -1.01 -4.92 113.70 108.80 1nvm s SER 59 Ca 0.88 -0.18 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 1nvm s SER 59 Cb -0.64 0.20 0.15 0.00 0.10 0.00 0.00 66.02 65.83 1nvm s SER 59 CO 0.46 -0.38 1.60 -0.26 0.98 0.00 0.00 173.24 175.64 1nvm h PHE 60 N 2.00 0.89 -0.38 5.02 0.04 -1.90 0.12 116.94 122.74 1nvm h PHE 60 Ca -0.30 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.26 1nvm h PHE 60 Cb 1.21 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.13 1nvm h PHE 60 CO 0.38 0.96 0.23 -0.97 -0.60 0.00 0.00 178.31 178.32 1nvm h ASN 61 N 0.66 0.38 -0.01 2.17 -1.24 -1.95 -3.23 115.58 112.37 1nvm h ASN 61 Ca 0.08 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1nvm h ASN 61 Cb 0.80 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.77 1nvm h ASN 61 CO 0.07 0.28 -0.49 -1.22 -1.29 0.00 0.00 177.43 174.77 1nvm n TYR 62 N -4.86 0.00 0.00 0.67 4.01 -1.23 -4.71 117.16 111.05 1nvm n TYR 62 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1nvm n TYR 62 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.23 2.17 3.81 2.72 0.00 0.40 -4.91 105.19 110.62 1nvm n GLY 63 Ca 0.05 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.95 3.47 0.42 1.61 0.08 -1.05 -2.41 117.98 119.15 1nvm s PHE 64 Ca 0.00 1.55 -0.15 0.00 0.12 0.00 0.00 56.93 58.44 1nvm s PHE 64 Cb 0.00 -2.77 -0.08 0.00 -0.57 0.00 0.00 43.02 39.59 1nvm s PHE 64 CO 0.00 0.07 0.86 0.20 -0.10 0.00 0.00 175.22 176.26 1nvm s GLY 65 N -1.98 2.16 0.29 4.36 0.00 -1.26 -4.72 107.32 106.17 1nvm s GLY 65 Ca 0.55 0.09 0.05 0.00 0.00 0.00 0.00 44.72 45.41 1nvm s GLY 65 CO 0.18 0.33 1.71 -0.09 0.00 0.00 0.00 173.10 175.22 1nvm h ARG 66 N 1.51 0.31 -5.09 2.90 2.43 -1.24 -3.45 114.38 111.75 1nvm h ARG 66 Ca -0.48 -0.14 -0.44 0.00 -0.81 0.00 0.00 59.98 58.12 1nvm h ARG 66 Cb 1.18 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1nvm h ARG 66 CO 0.63 0.64 -0.60 -1.01 -1.51 0.00 0.00 179.97 178.11 1nvm s HIS 67 N -4.26 1.80 0.57 2.20 3.76 -1.26 -5.10 115.29 112.98 1nvm s HIS 67 Ca -0.05 -1.08 -0.07 0.00 -0.15 0.00 0.00 55.06 53.71 1nvm s HIS 67 Cb 0.13 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 1nvm s HIS 67 CO 0.78 -0.15 0.90 0.95 -0.85 0.00 0.00 174.74 176.37 1nvm s THR 68 N -3.45 4.31 0.22 1.30 -4.23 -1.26 -4.93 115.64 107.60 1nvm s THR 68 Ca 0.36 0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1nvm s THR 68 Cb 0.08 -3.69 0.17 0.00 1.34 0.00 0.00 72.50 70.40 1nvm s THR 68 CO 0.15 -0.76 1.80 0.44 -0.54 0.00 0.00 174.62 175.72 1nvm h ASP 69 N -0.10 0.57 -0.59 3.99 3.32 -1.97 -1.85 116.42 119.79 1nvm h ASP 69 Ca -0.46 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1nvm h ASP 69 Cb 1.22 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1nvm h ASP 69 CO 0.62 0.35 0.30 -0.07 -1.72 0.00 0.00 179.24 178.72 1nvm h LEU 70 N 0.71 0.78 -0.67 1.55 3.38 -1.96 0.14 115.31 119.24 1nvm h LEU 70 Ca 0.33 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1nvm h LEU 70 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1nvm h LEU 70 CO -0.21 0.66 0.17 -0.33 0.09 0.00 0.00 178.44 178.82 1nvm h GLU 71 N 0.87 1.07 -0.56 1.13 5.08 -1.75 -0.51 114.58 119.91 1nvm h GLU 71 Ca 0.22 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1nvm h GLU 71 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1nvm h GLU 71 CO -0.03 0.95 -0.03 1.88 -1.00 0.00 0.00 179.01 180.78 1nvm h TYR 72 N 1.00 1.11 -0.10 4.33 0.05 -0.56 -1.62 116.97 121.18 1nvm h TYR 72 Ca 0.21 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1nvm h TYR 72 Cb 0.35 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1nvm h TYR 72 CO 0.03 1.01 0.06 0.82 -1.05 0.00 0.00 178.16 179.02 1nvm h ILE 73 N 0.90 1.08 -0.82 -2.88 2.04 -0.88 -1.29 117.51 115.66 1nvm h ILE 73 Ca 0.15 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1nvm h ILE 73 Cb 0.59 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1nvm h ILE 73 CO 0.04 0.07 0.48 -0.33 0.00 0.00 0.00 178.15 178.40 1nvm h GLU 74 N 0.08 1.13 -0.17 2.37 5.08 -1.02 0.53 114.58 122.57 1nvm h GLU 74 Ca 0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1nvm h GLU 74 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1nvm h GLU 74 CO -0.01 0.80 0.09 0.00 -1.00 0.00 0.00 179.01 178.89 1nvm h ALA 75 N 1.38 0.21 -0.69 3.43 0.00 -1.06 -2.62 119.26 119.92 1nvm h ALA 75 Ca 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1nvm h ALA 75 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nvm h ALA 75 CO -0.05 -0.24 0.23 0.28 0.00 0.00 0.00 179.25 179.47 1nvm h VAL 76 N 0.16 1.25 -0.49 0.00 2.07 -0.96 -2.92 116.25 115.36 1nvm h VAL 76 Ca 0.06 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1nvm h VAL 76 Cb 0.09 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1nvm h VAL 76 CO -0.01 0.33 0.33 0.00 0.02 0.00 0.00 177.57 178.24 1nvm h ALA 77 N 1.10 1.86 0.00 1.67 0.00 -0.65 -1.12 119.26 122.13 1nvm h ALA 77 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nvm h ALA 77 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nvm h ALA 77 CO -0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1nvm n GLY 78 N -1.50 -1.21 0.00 0.00 0.00 -1.01 -3.57 105.19 97.91 1nvm n GLY 78 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.78 2.06 -4.26 1.61 -0.58 -0.43 -5.05 120.64 112.20 1nvm n GLU 79 Ca 0.04 -0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1nvm n GLU 79 Cb 0.23 -1.15 -0.07 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.40 3.55 0.00 -3.67 -4.36 -1.18 -4.71 121.20 108.42 1nvm s ILE 80 Ca 0.01 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1nvm s ILE 80 Cb 0.09 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1nvm s ILE 80 CO 0.51 -0.29 0.00 -1.54 0.24 0.00 0.00 174.94 173.86 1nvm n SER 81 N -0.64 0.00 -0.05 4.36 3.41 -1.26 -4.96 113.62 114.47 1nvm n SER 81 Ca -0.08 -0.39 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1nvm n SER 81 Cb 0.58 0.00 -0.03 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 -1.96 7.33 -0.00 -1.26 -5.03 115.22 114.31 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 0.10 -0.40 0.03 0.00 -0.00 0.00 0.00 29.99 29.71 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 -2.56 2.60 0.35 1.57 0.00 -1.26 -5.01 121.76 117.45 1nvm s ALA 83 Ca -0.21 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 1nvm s ALA 83 Cb 0.04 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1nvm s ALA 83 CO 0.30 -1.02 0.64 -0.65 0.00 0.00 0.00 175.76 175.03 1nvm s GLN 84 N -3.89 3.64 -0.20 0.00 -0.21 -0.86 -4.92 119.66 113.21 1nvm s GLN 84 Ca 0.67 0.12 -0.17 0.00 0.02 0.00 0.00 55.36 56.00 1nvm s GLN 84 Cb -0.20 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 1nvm s GLN 84 CO 0.37 0.08 0.47 0.42 -2.12 0.00 0.00 175.29 174.51 1nvm s ILE 85 N -2.27 5.14 0.27 1.08 1.01 -1.26 -1.12 121.20 124.04 1nvm s ILE 85 Ca 0.46 0.86 0.07 0.00 0.00 0.00 0.00 60.65 62.04 1nvm s ILE 85 Cb -0.10 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1nvm s ILE 85 CO 0.33 0.21 0.21 0.00 0.00 0.00 0.00 174.94 175.69 1nvm s ALA 86 N 1.47 3.61 0.18 9.38 0.00 -0.06 -0.99 121.76 135.37 1nvm s ALA 86 Ca 0.22 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1nvm s ALA 86 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1nvm s ALA 86 CO 0.09 0.21 0.23 -0.08 0.00 0.00 0.00 175.76 176.22 1nvm s THR 87 N -2.17 0.04 -0.02 0.00 -1.32 -0.10 -0.70 115.64 111.37 1nvm s THR 87 Ca 0.34 -1.66 0.08 0.00 -1.21 0.00 0.00 61.69 59.24 1nvm s THR 87 Cb -0.07 -2.13 -0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1nvm s THR 87 CO 0.25 -0.19 -0.26 -0.22 -2.21 0.00 0.00 174.62 171.99 1nvm s LEU 88 N -3.04 2.05 -0.07 9.08 2.96 -1.26 -0.89 118.68 127.51 1nvm s LEU 88 Ca 0.25 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1nvm s LEU 88 Cb 0.04 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.42 1nvm s LEU 88 CO 0.05 0.31 0.01 -0.22 -1.32 0.00 0.00 176.35 175.18 1nvm s LEU 89 N -0.56 0.56 -0.33 -0.68 2.96 -0.34 -0.59 118.68 119.69 1nvm s LEU 89 Ca 0.09 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1nvm s LEU 89 Cb -0.10 -0.41 0.02 0.00 0.50 0.00 0.00 46.19 46.19 1nvm s LEU 89 CO -0.00 -0.20 0.13 -0.76 -1.32 0.00 0.00 176.35 174.20 1nvm s LEU 90 N 1.97 4.20 0.28 -0.68 1.02 -1.26 -0.98 118.68 123.23 1nvm s LEU 90 Ca 0.05 -0.85 -0.29 0.00 0.02 0.00 0.00 54.13 53.05 1nvm s LEU 90 Cb -0.12 -1.93 -0.14 0.00 0.02 0.00 0.00 46.19 44.02 1nvm s LEU 90 CO -0.05 -0.27 1.20 -2.65 0.02 0.00 0.00 176.35 174.61 1nvm n PRO 91 N 4.90 1.73 0.00 1.29 -0.02 -1.25 -0.93 135.00 140.72 1nvm n PRO 91 Ca -0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1nvm n PRO 91 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.38 2.97 1.25 -1.23 0.00 -1.26 -4.80 105.19 103.50 1nvm n GLY 92 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.65 0.79 -3.51 -0.61 5.41 -0.11 -5.09 119.36 114.60 1nvm n ILE 93 Ca 0.00 0.26 -0.21 0.00 1.00 0.00 0.00 62.75 63.80 1nvm n ILE 93 Cb 0.00 -1.24 -0.01 0.00 -0.71 0.00 0.00 39.64 37.68 1nvm n ILE 93 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1nvm s GLY 94 N -4.03 1.42 0.46 7.39 0.00 -0.38 -4.85 107.32 107.33 1nvm s GLY 94 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1nvm s GLY 94 CO 0.00 -1.14 0.10 -1.35 0.00 0.00 0.00 173.10 170.70 1nvm s SER 95 N -4.10 3.31 0.36 1.64 1.04 -1.26 -4.26 113.70 110.42 1nvm s SER 95 Ca 0.41 -1.71 0.11 0.00 0.48 0.00 0.00 55.95 55.24 1nvm s SER 95 Cb -0.09 0.60 0.67 0.00 0.10 0.00 0.00 66.02 67.30 1nvm s SER 95 CO 0.33 -0.95 1.81 0.58 0.98 0.00 0.00 173.24 175.98 1nvm h VAL 96 N 1.59 1.26 -0.51 5.02 2.07 -1.97 -1.45 116.25 122.26 1nvm h VAL 96 Ca -0.37 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1nvm h VAL 96 Cb 1.29 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1nvm h VAL 96 CO 0.61 0.37 0.00 -0.74 0.02 0.00 0.00 177.57 177.83 1nvm h HIS 97 N 0.08 0.91 -0.25 1.57 -0.00 -1.99 0.13 115.15 115.59 1nvm h HIS 97 Ca 0.01 -0.13 -0.10 0.00 -0.00 0.00 0.00 60.37 60.14 1nvm h HIS 97 Cb 0.65 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 1nvm h HIS 97 CO 0.00 0.83 -0.27 -0.44 -0.00 0.00 0.00 177.93 178.05 1nvm h ASP 98 N 0.79 0.50 -0.43 3.26 3.32 -1.74 -2.31 116.42 119.81 1nvm h ASP 98 Ca 0.15 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1nvm h ASP 98 Cb 0.47 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1nvm h ASP 98 CO 0.02 0.76 0.04 0.25 -1.72 0.00 0.00 179.24 178.60 1nvm h LEU 99 N 0.43 0.71 -0.50 1.55 5.85 -0.55 -0.78 115.31 122.02 1nvm h LEU 99 Ca 0.06 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.58 1nvm h LEU 99 Cb 0.70 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1nvm h LEU 99 CO 0.05 0.81 0.15 0.50 -0.34 0.00 0.00 178.44 179.61 1nvm h LYS 100 N 0.58 0.30 -0.49 1.25 3.64 -0.83 0.03 116.57 121.05 1nvm h LYS 100 Ca 0.13 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1nvm h LYS 100 Cb 0.42 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1nvm h LYS 100 CO 0.01 0.20 -0.09 -0.91 -2.27 0.00 0.00 179.45 176.39 1nvm h ASN 101 N 0.30 0.88 0.03 4.20 2.35 -1.16 -1.40 115.58 120.79 1nvm h ASN 101 Ca 0.25 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1nvm h ASN 101 Cb 0.30 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1nvm h ASN 101 CO -0.28 0.99 -0.23 0.00 -1.65 0.00 0.00 177.43 176.26 1nvm h ALA 102 N 1.09 1.27 -0.40 -0.83 0.00 -0.59 -1.61 119.26 118.20 1nvm h ALA 102 Ca 0.13 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1nvm h ALA 102 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nvm h ALA 102 CO 0.04 0.48 -0.08 -0.92 0.00 0.00 0.00 179.25 178.77 1nvm h TYR 103 N 0.30 0.86 -0.59 0.00 5.03 -0.75 -0.65 116.97 121.16 1nvm h TYR 103 Ca 0.05 -0.18 0.02 0.00 2.58 0.00 0.00 58.73 61.21 1nvm h TYR 103 Cb 0.57 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1nvm h TYR 103 CO 0.01 0.88 0.39 1.96 -1.32 0.00 0.00 178.16 180.09 1nvm h GLN 104 N 0.58 0.71 0.00 1.82 4.20 -0.86 -1.65 115.11 119.91 1nvm h GLN 104 Ca 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1nvm h GLN 104 Cb 0.60 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1nvm h GLN 104 CO 0.04 0.47 -0.09 0.00 -0.67 0.00 0.00 178.83 178.58 1nvm h ALA 105 N 1.65 0.99 0.00 3.87 0.00 -0.94 -3.47 119.26 121.36 1nvm h ALA 105 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nvm h ALA 105 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nvm h ALA 105 CO -0.06 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1nvm n GLY 106 N 0.36 0.37 3.73 0.00 0.00 -0.62 -4.23 105.19 104.80 1nvm n GLY 106 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1nvm n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvm s ALA 107 N -0.31 3.65 0.00 4.61 0.00 -0.30 -4.56 121.76 124.84 1nvm s ALA 107 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1nvm s ALA 107 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1nvm s ALA 107 CO 0.00 -0.70 0.00 0.54 0.00 0.00 0.00 175.76 175.60 1nvm n ARG 108 N 3.04 5.70 -5.18 0.00 5.12 -0.16 -4.35 116.66 120.83 1nvm n ARG 108 Ca 0.09 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.69 1nvm n ARG 108 Cb 0.40 -0.58 -0.16 0.00 -1.16 0.00 0.00 32.46 30.96 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 -1.17 2.24 -0.04 1.55 1.01 -0.87 -1.18 120.40 121.94 1nvm s VAL 109 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1nvm s VAL 109 Cb 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1nvm s VAL 109 CO 0.00 0.57 -0.10 0.54 0.00 0.00 0.00 175.10 176.11 1nvm s VAL 110 N -0.08 0.88 -0.30 2.92 0.11 -0.29 -0.92 120.40 122.72 1nvm s VAL 110 Ca -0.06 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1nvm s VAL 110 Cb -0.14 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1nvm s VAL 110 CO 0.04 0.28 0.12 -0.13 -3.33 0.00 0.00 175.10 172.09 1nvm s ARG 111 N 0.42 3.28 -0.40 1.54 3.00 -0.07 -1.08 118.95 125.64 1nvm s ARG 111 Ca -0.08 -0.75 -0.20 0.00 0.00 0.00 0.00 55.73 54.71 1nvm s ARG 111 Cb -0.12 -3.49 0.01 0.00 0.00 0.00 0.00 34.95 31.36 1nvm s ARG 111 CO 0.01 -0.41 0.58 0.08 0.00 0.00 0.00 175.30 175.56 1nvm s VAL 112 N 1.58 4.92 -0.13 3.52 1.01 0.43 -1.20 120.40 130.52 1nvm s VAL 112 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1nvm s VAL 112 Cb -0.17 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1nvm s VAL 112 CO 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 175.10 174.71 1nvm s ALA 113 N 2.60 3.20 0.14 5.51 0.00 -0.15 -0.95 121.76 132.10 1nvm s ALA 113 Ca 0.20 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1nvm s ALA 113 Cb -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1nvm s ALA 113 CO 0.16 0.38 -0.07 0.95 0.00 0.00 0.00 175.76 177.18 1nvm s THR 114 N -0.21 0.94 0.64 0.00 -4.23 -0.74 -3.89 115.64 108.15 1nvm s THR 114 Ca 0.05 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.37 1nvm s THR 114 Cb -0.12 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1nvm s THR 114 CO 0.02 -0.74 1.20 1.57 -0.54 0.00 0.00 174.62 176.14 1nvm n HIS 115 N -0.16 1.61 -0.11 3.99 -0.00 -1.26 -0.37 115.22 118.92 1nvm n HIS 115 Ca -0.10 0.42 0.21 0.00 0.46 0.00 0.00 57.72 58.71 1nvm n HIS 115 Cb 0.61 -2.23 0.64 0.00 -0.12 0.00 0.00 29.99 28.89 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 -4.38 0.00 -1.65 0.00 -2.24 -1.26 -4.47 114.28 100.28 1nvm n THR 117 Ca 0.14 -0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1nvm n THR 117 Cb 0.70 0.39 0.15 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.71 2.22 0.31 -0.78 -0.58 -0.28 -4.79 120.64 116.03 1nvm n GLU 118 Ca 0.12 -3.49 0.20 0.00 -0.42 0.00 0.00 57.16 53.56 1nvm n GLU 118 Cb 0.35 -1.88 1.03 0.00 -0.57 0.00 0.00 31.44 30.37 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 1.34 1.12 0.00 0.62 0.00 -1.78 -2.50 119.26 118.05 1nvm h ALA 119 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nvm h ALA 119 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nvm h ALA 119 CO 0.39 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.26 1nvm n ASP 120 N -3.27 0.31 -0.15 0.00 5.75 -1.26 -0.79 116.55 117.13 1nvm n ASP 120 Ca -0.02 0.59 0.15 0.00 -0.01 0.00 0.00 54.79 55.50 1nvm n ASP 120 Cb 0.13 -0.65 0.77 0.00 -1.03 0.00 0.00 41.12 40.34 1nvm n ASP 120 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1nvm n VAL 121 N -1.86 0.00 1.08 2.12 0.24 -0.94 -3.57 118.33 115.40 1nvm n VAL 121 Ca 0.02 -0.08 0.12 0.00 -2.04 0.00 0.00 64.34 62.36 1nvm n VAL 121 Cb 0.14 -0.17 0.26 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.70 0.75 -0.05 -1.34 3.41 0.03 -4.55 113.62 111.17 1nvm n SER 122 Ca 0.20 -0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 58.14 1nvm n SER 122 Cb 0.21 0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.46 -0.46 -0.61 4.33 3.64 -1.73 -1.43 116.57 120.77 1nvm h LYS 123 Ca 0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1nvm h LYS 123 Cb 0.51 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1nvm h LYS 123 CO 0.00 -0.31 0.20 1.96 -2.27 0.00 0.00 179.45 179.04 1nvm h GLN 124 N -0.48 0.91 -0.35 1.90 4.20 -1.89 -0.89 115.11 118.51 1nvm h GLN 124 Ca 0.07 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1nvm h GLN 124 Cb 0.64 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1nvm h GLN 124 CO -0.48 0.78 -0.01 0.45 -0.67 0.00 0.00 178.83 178.89 1nvm h HIS 125 N 0.89 0.69 -0.43 2.96 3.86 -1.78 -0.72 115.15 120.61 1nvm h HIS 125 Ca 0.20 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1nvm h HIS 125 Cb 0.23 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1nvm h HIS 125 CO 0.02 0.74 0.06 0.82 0.86 0.00 0.00 177.93 180.42 1nvm h ILE 126 N 0.43 1.25 -0.36 2.45 2.04 -1.14 -1.18 117.51 121.01 1nvm h ILE 126 Ca 0.10 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1nvm h ILE 126 Cb 0.47 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nvm h ILE 126 CO 0.02 0.32 -0.11 -0.33 0.00 0.00 0.00 178.15 178.04 1nvm h GLU 127 N 0.58 0.63 -0.22 2.37 5.08 -1.11 -1.21 114.58 120.70 1nvm h GLU 127 Ca 0.13 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1nvm h GLU 127 Cb 0.40 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1nvm h GLU 127 CO 0.01 0.73 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.74 1nvm h TYR 128 N 0.58 0.52 -0.92 4.33 3.20 -0.97 -1.86 116.97 121.84 1nvm h TYR 128 Ca 0.10 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1nvm h TYR 128 Cb 0.54 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1nvm h TYR 128 CO 0.02 0.72 0.59 0.00 -1.64 0.00 0.00 178.16 177.86 1nvm h ALA 129 N 0.72 1.21 -0.74 1.82 0.00 -0.99 -0.58 119.26 120.70 1nvm h ALA 129 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 129 Cb 0.58 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1nvm h ALA 129 CO 0.03 0.46 0.24 0.00 0.00 0.00 0.00 179.25 179.98 1nvm h ARG 130 N 1.15 1.13 -0.02 0.00 2.47 -1.08 -1.66 114.38 116.37 1nvm h ARG 130 Ca 0.37 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1nvm h ARG 130 Cb 0.01 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1nvm h ARG 130 CO -0.12 0.95 -0.23 -0.91 0.56 0.00 0.00 179.97 180.22 1nvm h ASN 131 N 1.09 0.04 1.04 7.04 2.35 -0.43 -1.40 115.58 125.31 1nvm h ASN 131 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1nvm h ASN 131 Cb 0.28 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1nvm h ASN 131 CO -0.01 0.27 0.00 0.18 -1.65 0.00 0.00 177.43 176.22 1nvm n LEU 132 N -4.25 0.26 0.00 1.61 4.77 -0.32 -4.90 117.00 114.16 1nvm n LEU 132 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1nvm n LEU 132 Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1nvm n LEU 132 CO 0.37 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1nvm n GLY 133 N 1.17 0.50 3.86 -0.72 0.00 -0.53 -5.05 105.19 104.43 1nvm n GLY 133 Ca 0.06 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.80 3.76 -0.29 1.61 -1.94 -0.66 -4.99 119.30 114.99 1nvm s MET 134 Ca 0.00 0.72 -0.29 0.00 -1.71 0.00 0.00 55.69 54.41 1nvm s MET 134 Cb 0.00 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.65 1nvm s MET 134 CO 0.00 -0.32 1.42 0.34 -0.01 0.00 0.00 175.02 176.44 1nvm s ASP 135 N -3.57 6.52 -0.22 3.03 2.15 -0.32 -4.61 116.67 119.64 1nvm s ASP 135 Ca 0.55 1.27 -0.05 0.00 0.43 0.00 0.00 52.55 54.75 1nvm s ASP 135 Cb -0.10 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1nvm s ASP 135 CO 0.40 -1.20 -0.00 -0.89 -0.17 0.00 0.00 175.17 173.32 1nvm s THR 136 N 4.82 3.77 -0.01 1.71 2.01 -1.26 -1.14 115.64 125.53 1nvm s THR 136 Ca 0.62 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1nvm s THR 136 Cb -0.19 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1nvm s THR 136 CO 0.26 0.40 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.66 1nvm s VAL 137 N 1.41 1.91 -0.10 3.82 1.01 -0.24 -1.20 120.40 127.01 1nvm s VAL 137 Ca 0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1nvm s VAL 137 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1nvm s VAL 137 CO -0.00 0.51 0.19 -0.83 0.00 0.00 0.00 175.10 174.98 1nvm s GLY 138 N -0.64 2.22 -0.12 4.51 0.00 -0.05 -0.43 107.32 112.81 1nvm s GLY 138 Ca 0.09 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 1nvm s GLY 138 CO -0.01 -0.26 0.03 -0.12 0.00 0.00 0.00 173.10 172.74 1nvm s PHE 139 N -1.00 0.69 -0.39 1.90 5.36 -0.13 -0.51 117.98 123.90 1nvm s PHE 139 Ca 0.17 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 55.60 1nvm s PHE 139 Cb -0.13 -0.85 0.01 0.00 -0.34 0.00 0.00 43.02 41.72 1nvm s PHE 139 CO 0.06 -0.44 0.29 -0.51 -1.46 0.00 0.00 175.22 173.16 1nvm s LEU 140 N 1.97 4.97 0.51 6.12 1.43 -0.36 -1.79 118.68 131.53 1nvm s LEU 140 Ca 0.03 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 1nvm s LEU 140 Cb -0.14 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 1nvm s LEU 140 CO -0.06 -0.41 0.99 -0.04 0.23 0.00 0.00 176.35 177.06 1nvm s MET 141 N 1.70 3.91 -1.26 1.70 -1.94 0.50 -1.06 119.30 122.84 1nvm s MET 141 Ca 0.05 1.01 -0.00 0.00 -1.71 0.00 0.00 55.69 55.04 1nvm s MET 141 Cb -0.19 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.53 1nvm s MET 141 CO 0.10 -0.31 0.84 -1.33 -0.01 0.00 0.00 175.02 174.31 1nvm n MET 142 N -1.52 -5.70 0.00 2.03 2.81 -1.10 -1.61 117.12 112.02 1nvm n MET 142 Ca 0.07 0.72 0.06 0.00 -1.81 0.00 0.00 57.70 56.75 1nvm n MET 142 Cb 0.54 -5.49 0.29 0.00 -0.71 0.00 0.00 33.22 27.84 1nvm n MET 142 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nvm n SER 143 N -3.09 0.00 -0.01 7.83 7.64 -0.73 -1.52 113.62 123.76 1nvm n SER 143 Ca -0.29 0.50 0.14 0.00 1.01 0.00 0.00 58.87 60.23 1nvm n SER 143 Cb 0.67 -0.50 0.61 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 -1.51 0.00 0.59 1.43 1.44 -1.26 -4.20 115.22 111.71 1nvm n HIS 144 Ca 0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 1nvm n HIS 144 Cb 0.16 -0.42 0.43 0.00 0.12 0.00 0.00 29.99 30.28 1nvm n HIS 144 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1nvm n MET 145 N -1.43 0.23 -4.13 -1.40 2.81 -0.57 -4.82 117.12 107.81 1nvm n MET 145 Ca 0.09 0.26 -0.10 0.00 -1.81 0.00 0.00 57.70 56.13 1nvm n MET 145 Cb 0.32 -1.81 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 1nvm n MET 145 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1nvm s ILE 146 N -3.15 0.54 0.81 2.02 -4.36 -1.26 -5.12 121.20 110.67 1nvm s ILE 146 Ca 0.09 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 58.61 1nvm s ILE 146 Cb 0.12 -1.46 0.08 0.00 1.25 0.00 0.00 42.46 42.46 1nvm s ILE 146 CO 0.54 -0.83 1.14 -2.84 0.24 0.00 0.00 174.94 173.19 1nvm s PRO 147 N -3.48 1.79 0.25 0.37 0.02 -1.26 -4.73 135.00 127.95 1nvm s PRO 147 Ca 0.07 1.46 -0.03 0.00 0.02 0.00 0.00 61.00 62.52 1nvm s PRO 147 Cb 0.03 -1.82 0.46 0.00 0.02 0.00 0.00 34.50 33.19 1nvm s PRO 147 CO -0.05 -2.04 1.78 0.00 -0.33 0.00 0.00 177.00 176.36 1nvm h ALA 148 N -1.14 1.20 -0.05 -1.55 0.00 -1.92 -1.09 119.26 114.70 1nvm h ALA 148 Ca -0.44 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1nvm h ALA 148 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1nvm h ALA 148 CO 0.47 -0.02 -0.47 0.93 0.00 0.00 0.00 179.25 180.16 1nvm h GLU 149 N 0.68 0.12 -0.26 0.00 5.08 -1.91 -1.27 114.58 117.01 1nvm h GLU 149 Ca 0.42 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1nvm h GLU 149 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nvm h GLU 149 CO -0.31 0.56 -0.54 0.87 -1.00 0.00 0.00 179.01 178.59 1nvm h LYS 150 N 0.09 0.79 -0.74 2.33 1.79 -1.59 -2.37 116.57 116.86 1nvm h LYS 150 Ca 0.00 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 57.94 1nvm h LYS 150 Cb 0.87 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 1nvm h LYS 150 CO 0.07 1.12 0.32 1.25 -1.08 0.00 0.00 179.45 181.13 1nvm h LEU 151 N 0.60 1.01 -1.01 2.94 5.85 -1.08 -2.49 115.31 121.14 1nvm h LEU 151 Ca 0.01 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1nvm h LEU 151 Cb 1.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1nvm h LEU 151 CO 0.12 0.89 0.15 0.00 -0.34 0.00 0.00 178.44 179.26 1nvm h ALA 152 N 1.16 1.20 -0.73 1.25 0.00 -1.09 -1.16 119.26 119.89 1nvm h ALA 152 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nvm h ALA 152 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nvm h ALA 152 CO -0.02 0.55 0.29 0.93 0.00 0.00 0.00 179.25 181.00 1nvm h GLU 153 N 0.84 1.08 -0.22 0.00 4.39 -1.00 0.13 114.58 119.79 1nvm h GLU 153 Ca 0.18 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1nvm h GLU 153 Cb 0.29 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nvm h GLU 153 CO -0.00 0.88 -0.34 1.96 -1.16 0.00 0.00 179.01 180.35 1nvm h GLN 154 N 1.06 0.47 -0.33 2.33 1.08 -1.02 -2.09 115.11 116.60 1nvm h GLN 154 Ca 0.24 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1nvm h GLN 154 Cb 0.20 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1nvm h GLN 154 CO -0.02 0.75 -0.06 0.78 -0.95 0.00 0.00 178.83 179.33 1nvm h GLY 155 N 1.07 0.68 2.00 3.46 0.00 -0.82 -2.14 103.07 107.32 1nvm h GLY 155 Ca 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1nvm h GLY 155 CO 0.06 0.50 -0.18 1.70 0.00 0.00 0.00 176.54 178.63 1nvm h LYS 156 N 0.42 0.00 -0.23 4.80 3.64 -0.56 -1.45 116.57 123.18 1nvm h LYS 156 Ca 0.09 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1nvm h LYS 156 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1nvm h LYS 156 CO 0.03 0.18 0.00 1.25 -2.27 0.00 0.00 179.45 178.64 1nvm h LEU 157 N 0.00 0.40 -1.41 5.20 5.85 -0.85 -0.66 115.31 123.85 1nvm h LEU 157 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1nvm h LEU 157 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1nvm h LEU 157 CO 0.02 0.61 0.14 0.24 -0.34 0.00 0.00 178.44 179.12 1nvm h MET 158 N 0.18 0.54 -0.71 1.25 2.86 -0.87 -0.67 114.93 117.51 1nvm h MET 158 Ca 0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1nvm h MET 158 Cb 0.41 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1nvm h MET 158 CO 0.01 0.46 0.41 1.49 1.06 0.00 0.00 176.91 180.34 1nvm h GLU 159 N 0.54 0.98 -0.02 1.72 4.81 -0.90 -1.80 114.58 119.90 1nvm h GLU 159 Ca 0.13 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1nvm h GLU 159 Cb 0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1nvm h GLU 159 CO -0.01 0.71 -0.27 0.77 -0.73 0.00 0.00 179.01 179.48 1nvm h SER 160 N 0.97 0.03 1.10 1.04 0.02 0.36 -0.89 113.55 116.19 1nvm h SER 160 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1nvm h SER 160 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1nvm h SER 160 CO -0.04 0.30 0.00 1.88 -1.14 0.00 0.00 176.83 177.83 1nvm h TYR 161 N 0.03 0.00 0.00 3.45 0.05 -0.93 -3.46 116.97 116.11 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 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 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 0.24 0.81 3.77 3.88 0.00 -0.34 -4.13 105.19 109.43 1nvm n GLY 162 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.14 3.59 -1.51 4.61 0.00 -0.72 -4.89 121.76 121.70 1nvm s ALA 163 Ca 0.00 1.54 0.14 0.00 0.00 0.00 0.00 51.96 53.64 1nvm s ALA 163 Cb 0.00 -3.60 0.21 0.00 0.00 0.00 0.00 23.12 19.73 1nvm s ALA 163 CO 0.00 -1.00 1.08 0.25 0.00 0.00 0.00 175.76 176.09 1nvm n THR 164 N 0.73 0.39 -3.75 0.00 -2.24 -0.34 -4.43 114.28 104.63 1nvm n THR 164 Ca 0.02 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1nvm n THR 164 Cb 0.39 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.41 1.91 0.10 0.00 -1.09 -0.13 -0.87 121.20 121.52 1nvm s ILE 166 Ca -0.02 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1nvm s ILE 166 Cb -0.04 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 1nvm s ILE 166 CO -0.02 0.52 0.07 -0.31 -1.23 0.00 0.00 174.94 173.98 1nvm s TYR 167 N 0.84 3.15 -0.17 3.97 1.51 0.34 -0.35 117.35 126.63 1nvm s TYR 167 Ca -0.08 0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1nvm s TYR 167 Cb -0.15 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1nvm s TYR 167 CO -0.01 0.51 0.01 0.00 -1.11 0.00 0.00 175.55 174.95 1nvm s MET 168 N -2.50 3.78 -0.17 -0.62 0.23 -0.85 -1.23 119.30 117.94 1nvm s MET 168 Ca 0.29 -0.45 -0.02 0.00 -1.03 0.00 0.00 55.69 54.47 1nvm s MET 168 Cb -0.12 -3.05 -0.02 0.00 -1.53 0.00 0.00 34.83 30.12 1nvm s MET 168 CO 0.22 0.23 -0.07 0.00 -2.03 0.00 0.00 175.02 173.36 1nvm s ALA 169 N 0.43 2.79 -1.21 3.16 0.00 -0.23 -1.31 121.76 125.39 1nvm s ALA 169 Ca -0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1nvm s ALA 169 Cb -0.14 -1.48 0.21 0.00 0.00 0.00 0.00 23.12 21.71 1nvm s ALA 169 CO 0.02 -0.01 1.66 -3.47 0.00 0.00 0.00 175.76 173.96 1nvm n ASP 170 N 3.99 5.44 -0.29 0.00 2.03 -0.12 -1.77 116.55 125.83 1nvm n ASP 170 Ca -0.18 -3.15 0.07 0.00 0.52 0.00 0.00 54.79 52.05 1nvm n ASP 170 Cb 0.52 -1.44 0.29 0.00 -0.72 0.00 0.00 41.12 39.77 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 5.98 0.81 0.04 1.67 0.02 -1.91 -0.51 113.55 119.65 1nvm h SER 171 Ca 0.32 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1nvm h SER 171 Cb 0.68 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1nvm h SER 171 CO 1.45 0.47 -0.02 0.61 -1.14 0.00 0.00 176.83 178.21 1nvm n GLY 172 N -1.40 -0.44 3.91 -3.77 0.00 -1.26 -1.39 105.19 100.84 1nvm n GLY 172 Ca 0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 1.14 -0.46 0.20 -0.02 0.00 -0.20 -3.59 105.19 102.26 1nvm n GLY 173 Ca 0.20 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.61 3.78 -2.57 4.61 0.00 -1.26 -3.87 120.51 116.59 1nvm n ALA 174 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1nvm n ALA 174 Cb 0.55 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.35 3.64 0.52 0.00 -1.94 -1.26 -4.99 119.30 112.91 1nvm s MET 175 Ca 0.11 -0.02 0.05 0.00 -1.71 0.00 0.00 55.69 54.11 1nvm s MET 175 Cb 0.14 -2.72 0.02 0.00 2.01 0.00 0.00 34.83 34.28 1nvm s MET 175 CO 0.58 0.31 0.31 -1.54 -0.01 0.00 0.00 175.02 174.68 1nvm s SER 176 N -2.88 4.55 0.27 3.03 1.04 -1.26 -4.95 113.70 113.50 1nvm s SER 176 Ca 0.43 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1nvm s SER 176 Cb -0.11 0.28 0.50 0.00 0.10 0.00 0.00 66.02 66.79 1nvm s SER 176 CO 0.27 -0.98 1.84 0.24 0.98 0.00 0.00 173.24 175.59 1nvm h MET 177 N 0.94 0.95 0.00 4.02 2.86 -1.95 -1.57 114.93 120.17 1nvm h MET 177 Ca -0.39 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 1nvm h MET 177 Cb 1.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1nvm h MET 177 CO 0.61 0.63 -0.29 -0.91 1.06 0.00 0.00 176.91 178.01 1nvm h ASN 178 N 0.98 0.00 0.07 1.22 2.35 -1.99 -1.85 115.58 116.34 1nvm h ASN 178 Ca 0.47 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.16 1nvm h ASN 178 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1nvm h ASN 178 CO -0.25 0.29 -0.19 0.44 -1.65 0.00 0.00 177.43 176.07 1nvm h ASP 179 N 0.00 0.23 -0.16 5.81 3.32 -1.68 -0.33 116.42 123.61 1nvm h ASP 179 Ca -0.00 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1nvm h ASP 179 Cb 0.67 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1nvm h ASP 179 CO 0.04 0.44 -0.22 0.40 -1.72 0.00 0.00 179.24 178.17 1nvm h ILE 180 N 0.22 1.35 -0.39 0.35 1.08 -1.19 -2.12 117.51 116.81 1nvm h ILE 180 Ca 0.04 -1.43 0.05 0.00 -0.39 0.00 0.00 64.86 63.12 1nvm h ILE 180 Cb 0.47 1.90 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 1nvm h ILE 180 CO 0.03 0.43 0.13 0.03 -0.69 0.00 0.00 178.15 178.08 1nvm h ARG 181 N 0.07 0.28 -0.34 2.37 3.08 -1.01 0.69 114.38 119.53 1nvm h ARG 181 Ca 0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1nvm h ARG 181 Cb 0.79 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1nvm h ARG 181 CO 0.05 0.19 0.08 -0.44 -1.07 0.00 0.00 179.97 178.78 1nvm h ASP 182 N 0.29 0.05 -0.45 7.04 3.32 -0.95 -1.10 116.42 124.61 1nvm h ASP 182 Ca 0.18 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1nvm h ASP 182 Cb 0.16 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1nvm h ASP 182 CO -0.19 0.06 -0.21 0.03 -1.72 0.00 0.00 179.24 177.21 1nvm h ARG 183 N 0.21 0.94 -0.65 3.56 3.08 -1.02 -1.82 114.38 118.69 1nvm h ARG 183 Ca 0.16 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1nvm h ARG 183 Cb 0.16 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1nvm h ARG 183 CO -0.19 1.07 0.31 0.52 -1.07 0.00 0.00 179.97 180.62 1nvm h MET 184 N 0.78 0.94 -0.71 0.04 2.86 -0.66 -0.83 114.93 117.36 1nvm h MET 184 Ca 0.10 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1nvm h MET 184 Cb 0.79 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1nvm h MET 184 CO 0.07 0.75 0.22 0.00 1.06 0.00 0.00 176.91 179.00 1nvm h ARG 185 N 0.90 1.10 -0.62 1.72 3.08 -1.14 -0.93 114.38 118.50 1nvm h ARG 185 Ca 0.22 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1nvm h ARG 185 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1nvm h ARG 185 CO -0.03 0.95 0.30 0.00 -1.07 0.00 0.00 179.97 180.12 1nvm h ALA 186 N 1.10 0.79 -0.34 0.04 0.00 -1.05 -1.22 119.26 118.59 1nvm h ALA 186 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nvm h ALA 186 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nvm h ALA 186 CO -0.01 0.35 0.15 0.74 0.00 0.00 0.00 179.25 180.49 1nvm h PHE 187 N 0.84 0.50 0.00 0.00 0.04 -0.83 -2.85 116.94 114.64 1nvm h PHE 187 Ca 0.21 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 1nvm h PHE 187 Cb 0.11 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1nvm h PHE 187 CO -0.00 0.44 -0.18 0.87 -0.60 0.00 0.00 178.31 178.84 1nvm h LYS 188 N 0.41 0.00 0.00 1.51 1.79 -0.96 0.26 116.57 119.58 1nvm h LYS 188 Ca 0.12 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.46 1nvm h LYS 188 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1nvm h LYS 188 CO -0.01 0.18 -0.61 0.00 -1.08 0.00 0.00 179.45 177.94 1nvm h ALA 189 N 1.82 0.90 0.00 3.86 0.00 -0.99 -3.37 119.26 121.48 1nvm h ALA 189 Ca -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1nvm h ALA 189 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nvm h ALA 189 CO 0.02 0.76 -1.44 1.33 0.00 0.00 0.00 179.25 179.92 1nvm n VAL 190 N -3.68 0.23 -1.74 0.00 0.24 -0.88 -5.04 118.33 107.47 1nvm n VAL 190 Ca -0.01 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1nvm n VAL 190 Cb 0.63 -0.18 0.03 0.00 -1.47 0.00 0.00 33.84 32.86 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 -4.00 3.22 0.62 1.34 1.43 0.03 -5.00 118.68 116.31 1nvm s LEU 191 Ca -0.03 1.58 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 1nvm s LEU 191 Cb 0.04 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 1nvm s LEU 191 CO 0.33 -1.22 1.26 -0.54 0.23 0.00 0.00 176.35 176.41 1nvm s LYS 192 N -4.94 2.76 0.44 1.70 1.02 -1.26 -4.88 119.74 114.57 1nvm s LYS 192 Ca 0.58 1.97 0.13 0.00 0.02 0.00 0.00 55.97 58.66 1nvm s LYS 192 Cb -0.13 -1.90 1.02 0.00 -0.52 0.00 0.00 37.83 36.30 1nvm s LYS 192 CO 0.52 -1.41 2.02 -1.35 -0.92 0.00 0.00 175.35 174.20 1nvm h PRO 193 N 0.73 0.39 0.00 -1.68 0.11 -1.95 -1.57 132.00 128.03 1nvm h PRO 193 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nvm h PRO 193 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nvm h PRO 193 CO 0.54 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1nvm n GLU 194 N -4.47 0.18 -2.39 1.05 0.00 -1.26 -4.82 120.64 108.92 1nvm n GLU 194 Ca 0.07 0.19 -0.42 0.00 0.00 0.00 0.00 57.16 57.00 1nvm n GLU 194 Cb 0.26 -1.73 -0.03 0.00 0.00 0.00 0.00 31.44 29.94 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 -3.10 3.98 0.61 3.84 2.01 -0.59 -4.98 115.64 117.41 1nvm s THR 195 Ca 0.10 1.41 -0.14 0.00 0.31 0.00 0.00 61.69 63.38 1nvm s THR 195 Cb 0.13 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1nvm s THR 195 CO 0.54 0.09 1.04 -1.10 -0.69 0.00 0.00 174.62 174.50 1nvm s GLN 196 N 1.29 3.42 -0.04 4.92 -1.52 0.34 -4.90 119.66 123.17 1nvm s GLN 196 Ca 0.59 0.98 0.05 0.00 -1.95 0.00 0.00 55.36 55.03 1nvm s GLN 196 Cb -0.30 -2.05 -0.01 0.00 -0.22 0.00 0.00 33.01 30.43 1nvm s GLN 196 CO 0.28 -0.72 -0.19 0.08 -0.25 0.00 0.00 175.29 174.49 1nvm s VAL 197 N -2.81 1.59 0.12 1.09 1.01 -1.26 -0.96 120.40 119.18 1nvm s VAL 197 Ca 0.59 -0.81 0.11 0.00 0.00 0.00 0.00 61.98 61.87 1nvm s VAL 197 Cb -0.13 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1nvm s VAL 197 CO 0.44 0.45 -0.26 -0.83 0.00 0.00 0.00 175.10 174.90 1nvm s GLY 198 N -0.05 1.53 -0.09 4.51 0.00 0.53 -0.93 107.32 112.82 1nvm s GLY 198 Ca -0.03 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1nvm s GLY 198 CO 0.02 -1.40 -0.12 -0.29 0.00 0.00 0.00 173.10 171.31 1nvm s MET 199 N -1.97 2.96 -0.46 2.90 1.75 -0.30 -2.01 119.30 122.17 1nvm s MET 199 Ca 0.13 -0.66 0.03 0.00 -1.25 0.00 0.00 55.69 53.94 1nvm s MET 199 Cb -0.10 -2.54 0.14 0.00 2.84 0.00 0.00 34.83 35.17 1nvm s MET 199 CO 0.05 0.45 0.28 -1.58 -0.65 0.00 0.00 175.02 173.57 1nvm s HIS 200 N -0.25 2.01 0.39 4.11 2.46 -0.43 -1.05 115.29 122.52 1nvm s HIS 200 Ca 0.02 -2.49 -0.07 0.00 0.47 0.00 0.00 55.06 52.99 1nvm s HIS 200 Cb -0.13 -1.83 -0.05 0.00 -0.13 0.00 0.00 32.58 30.44 1nvm s HIS 200 CO 0.03 -0.76 0.70 0.00 -2.47 0.00 0.00 174.74 172.23 1nvm s ALA 201 N 0.14 3.46 0.17 1.58 0.00 -1.26 -0.94 121.76 124.90 1nvm s ALA 201 Ca 0.20 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.84 1nvm s ALA 201 Cb -0.19 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1nvm s ALA 201 CO -0.04 -0.01 -0.13 -1.01 0.00 0.00 0.00 175.76 174.57 1nvm s HIS 202 N -2.37 2.58 -0.87 0.00 3.76 -1.23 -2.98 115.29 114.18 1nvm s HIS 202 Ca 0.48 -0.24 0.14 0.00 -0.15 0.00 0.00 55.06 55.28 1nvm s HIS 202 Cb -0.10 -1.29 0.64 0.00 1.11 0.00 0.00 32.58 32.94 1nvm s HIS 202 CO 0.34 0.48 1.51 1.58 -0.85 0.00 0.00 174.74 177.81 1nvm n HIS 203 N 0.24 1.46 0.27 1.40 -0.00 0.48 -3.72 115.22 115.35 1nvm n HIS 203 Ca -0.12 -0.54 0.15 0.00 0.46 0.00 0.00 57.72 57.67 1nvm n HIS 203 Cb 0.55 -0.31 0.88 0.00 -0.12 0.00 0.00 29.99 30.99 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 3.40 0.00 -0.36 0.26 2.35 -1.80 0.10 115.58 119.53 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 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1nvm h ASN 204 CO 0.29 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.25 1nvm n LEU 205 N -3.88 3.88 -0.78 1.61 4.77 -1.25 -4.08 117.00 117.28 1nvm n LEU 205 Ca -0.02 -2.64 -0.10 0.00 -0.03 0.00 0.00 56.01 53.22 1nvm n LEU 205 Cb 0.14 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1nvm n LEU 205 CO 0.28 0.71 -0.10 -1.54 -1.33 0.00 0.00 177.39 175.41 1nvm n SER 206 N 0.10 -4.12 -0.53 -1.43 3.41 0.35 -4.92 113.62 106.49 1nvm n SER 206 Ca 0.20 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 59.12 1nvm n SER 206 Cb 0.78 -2.55 0.21 0.00 -0.26 0.00 0.00 64.21 62.39 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 -1.14 3.20 -0.03 1.04 4.77 -1.26 -4.67 117.00 118.92 1nvm n LEU 207 Ca -0.10 -3.08 -0.10 0.00 -0.03 0.00 0.00 56.01 52.71 1nvm n LEU 207 Cb 0.34 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1nvm n LEU 207 CO 0.15 0.71 0.91 1.23 -1.33 0.00 0.00 177.39 179.06 1nvm h GLY 208 N 0.98 0.20 1.30 -0.72 0.00 -1.83 0.36 103.07 103.36 1nvm h GLY 208 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 47.33 47.02 1nvm h GLY 208 CO 0.13 0.04 -1.07 -2.08 0.00 0.00 0.00 176.54 173.55 1nvm h VAL 209 N 0.15 1.31 -0.30 4.60 2.07 -1.92 -2.95 116.25 119.22 1nvm h VAL 209 Ca 0.07 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.26 1nvm h VAL 209 Cb 0.03 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1nvm h VAL 209 CO -0.06 0.72 0.13 0.00 0.02 0.00 0.00 177.57 178.38 1nvm h ALA 210 N 0.45 0.35 -0.40 1.67 0.00 -1.80 0.33 119.26 119.87 1nvm h ALA 210 Ca -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nvm h ALA 210 Cb 1.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1nvm h ALA 210 CO 0.20 -0.27 0.06 -0.91 0.00 0.00 0.00 179.25 178.34 1nvm h ASN 211 N 0.27 0.56 -0.48 0.00 2.35 -0.37 -1.72 115.58 116.19 1nvm h ASN 211 Ca 0.13 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1nvm h ASN 211 Cb 0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1nvm h ASN 211 CO -0.11 0.59 -0.14 0.28 -1.65 0.00 0.00 177.43 176.40 1nvm h SER 212 N 0.59 0.95 -0.34 5.81 0.02 -1.18 -0.83 113.55 118.57 1nvm h SER 212 Ca 0.13 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1nvm h SER 212 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1nvm h SER 212 CO 0.00 1.11 0.22 0.40 -1.14 0.00 0.00 176.83 177.42 1nvm h ILE 213 N 0.79 1.07 -0.62 3.27 2.04 -0.64 -1.79 117.51 121.63 1nvm h ILE 213 Ca 0.12 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1nvm h ILE 213 Cb 0.70 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1nvm h ILE 213 CO 0.05 0.08 0.10 0.58 0.00 0.00 0.00 178.15 178.97 1nvm h VAL 214 N 0.44 1.26 -0.56 1.67 2.07 -1.23 -0.29 116.25 119.61 1nvm h VAL 214 Ca 0.13 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1nvm h VAL 214 Cb -0.03 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1nvm h VAL 214 CO -0.04 0.37 0.27 0.00 0.02 0.00 0.00 177.57 178.19 1nvm h ALA 215 N 1.03 0.73 -0.61 1.67 0.00 -0.88 -0.49 119.26 120.71 1nvm h ALA 215 Ca 0.19 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1nvm h ALA 215 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nvm h ALA 215 CO 0.01 -0.10 0.14 0.28 0.00 0.00 0.00 179.25 179.58 1nvm h VAL 216 N 0.50 1.25 0.00 0.00 2.07 -0.92 -0.52 116.25 118.63 1nvm h VAL 216 Ca 0.26 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1nvm h VAL 216 Cb 0.21 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1nvm h VAL 216 CO -0.20 0.35 -0.12 -0.33 0.02 0.00 0.00 177.57 177.28 1nvm h GLU 217 N 0.90 0.00 -0.34 1.57 5.08 -0.05 -0.09 114.58 121.64 1nvm h GLU 217 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nvm h GLU 217 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1nvm h GLU 217 CO 0.00 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 1nvm n GLU 218 N -4.22 1.76 0.00 2.33 -0.58 -0.29 -4.92 120.64 114.73 1nvm n GLU 218 Ca -0.03 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 1nvm n GLU 218 Cb 0.20 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.91 0.71 3.76 0.62 0.00 -0.05 -4.84 105.19 106.31 1nvm n GLY 219 Ca 0.10 0.00 -0.37 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 -0.92 1.71 -4.35 0.00 9.92 -0.10 -4.63 116.55 118.18 1nvm n ASP 221 Ca 0.10 0.06 -0.31 0.00 -0.53 0.00 0.00 54.79 54.10 1nvm n ASP 221 Cb 0.48 -0.38 -0.15 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.54 2.14 -0.13 -1.24 0.52 -0.78 -1.76 118.95 115.17 1nvm s ARG 222 Ca -0.25 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1nvm s ARG 222 Cb 0.08 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.47 1nvm s ARG 222 CO 0.71 0.57 -0.15 0.08 0.02 0.00 0.00 175.30 176.53 1nvm s VAL 223 N -0.66 1.54 0.07 3.52 1.01 -0.50 -1.15 120.40 124.22 1nvm s VAL 223 Ca 0.11 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1nvm s VAL 223 Cb -0.10 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 1nvm s VAL 223 CO -0.00 0.45 0.62 -1.81 0.00 0.00 0.00 175.10 174.36 1nvm s ASP 224 N 1.22 7.10 0.28 3.32 1.11 -0.22 -1.29 116.67 128.20 1nvm s ASP 224 Ca -0.01 1.31 -0.18 0.00 0.18 0.00 0.00 52.55 53.85 1nvm s ASP 224 Cb -0.14 -2.39 0.02 0.00 1.07 0.00 0.00 42.92 41.48 1nvm s ASP 224 CO -0.06 0.20 0.66 0.00 1.18 0.00 0.00 175.17 177.15 1nvm s ALA 225 N -0.80 -0.90 0.04 5.23 0.00 -0.71 -4.48 121.76 120.14 1nvm s ALA 225 Ca 0.31 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 1nvm s ALA 225 Cb -0.20 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1nvm s ALA 225 CO 0.20 -0.98 0.20 -1.54 0.00 0.00 0.00 175.76 173.64 1nvm s SER 226 N -2.96 0.01 0.14 0.00 1.04 -0.62 -1.10 113.70 110.22 1nvm s SER 226 Ca 0.15 -0.33 -0.31 0.00 0.48 0.00 0.00 55.95 55.94 1nvm s SER 226 Cb -0.04 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.27 1nvm s SER 226 CO 0.08 -0.54 1.62 -0.76 0.98 0.00 0.00 173.24 174.62 1nvm s LEU 227 N -2.01 4.37 -0.28 2.42 1.43 -1.26 -0.43 118.68 122.92 1nvm s LEU 227 Ca -0.06 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 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 -0.03 -0.87 0.00 0.00 0.23 0.00 0.00 176.35 175.68 1nvm n ALA 228 N 4.48 -0.04 -1.01 4.21 0.00 -1.26 -1.01 120.51 125.88 1nvm n ALA 228 Ca 0.15 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 1nvm n ALA 228 Cb 0.39 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.12 0.40 3.55 0.00 0.00 -0.21 -4.90 105.19 103.91 1nvm n GLY 229 Ca -0.03 -0.05 -0.59 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.06 0.59 -3.53 1.61 0.00 -0.18 -1.21 117.12 112.34 1nvm n MET 230 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1nvm n MET 230 Cb 0.13 -1.89 0.00 0.00 0.00 0.00 0.00 33.22 31.46 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 5.44 -2.01 3.73 -5.12 0.00 -1.26 -3.17 105.19 102.80 1nvm n GLY 231 Ca 0.38 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.93 2.28 0.00 4.61 0.00 -1.22 -4.05 121.76 121.45 1nvm s ALA 232 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1nvm s ALA 232 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1nvm s ALA 232 CO 0.00 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.54 1nvm n GLY 233 N 0.40 2.96 0.00 0.00 0.00 -1.16 -1.03 105.19 106.36 1nvm n GLY 233 Ca 0.13 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 11.60 2.62 0.00 4.61 0.00 -1.26 -4.55 120.51 133.53 1nvm n ALA 234 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1nvm n ALA 234 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 0.85 -3.25 3.95 0.00 0.00 -0.19 -4.03 105.19 102.52 1nvm n GLY 235 Ca 0.20 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 1nvm n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nvm s ASN 236 N -0.52 3.71 0.20 1.61 -0.87 -0.35 -0.39 114.94 118.32 1nvm s ASN 236 Ca 0.00 0.04 -0.33 0.00 -1.57 0.00 0.00 52.86 51.00 1nvm s ASN 236 Cb 0.00 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.25 40.85 1nvm s ASN 236 CO 0.00 -2.32 1.65 0.00 -2.57 0.00 0.00 177.10 173.86 1nvm n ALA 237 N -3.35 2.19 -2.12 0.60 0.00 -1.16 -4.39 120.51 112.29 1nvm n ALA 237 Ca 0.15 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 1nvm n ALA 237 Cb 0.60 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 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 0.92 3.94 0.20 0.00 0.04 -1.26 -1.58 135.00 137.26 1nvm s PRO 238 Ca 0.76 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.50 1nvm s PRO 238 Cb -0.58 -3.99 0.22 0.00 0.04 0.00 0.00 34.50 30.19 1nvm s PRO 238 CO 0.36 -1.12 1.80 1.25 0.04 0.00 0.00 177.00 179.33 1nvm h LEU 239 N 11.11 0.50 -1.19 -3.56 5.85 -1.06 -0.46 115.31 126.51 1nvm h LEU 239 Ca -0.34 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1nvm h LEU 239 Cb 1.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1nvm h LEU 239 CO 0.99 0.33 -0.24 1.05 -0.34 0.00 0.00 178.44 180.22 1nvm h GLU 240 N 0.64 0.26 -0.03 1.25 9.09 -1.88 -0.53 114.58 123.38 1nvm h GLU 240 Ca 0.28 -0.08 -0.03 0.00 0.05 0.00 0.00 59.36 59.58 1nvm h GLU 240 Cb 0.18 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1nvm h GLU 240 CO -0.18 0.49 -0.08 0.28 0.05 0.00 0.00 179.01 179.57 1nvm h VAL 241 N 0.24 1.47 -0.50 -1.06 2.07 -1.78 -1.59 116.25 115.10 1nvm h VAL 241 Ca 0.04 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.13 1nvm h VAL 241 Cb 0.56 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 1nvm h VAL 241 CO 0.04 0.41 0.13 0.15 0.02 0.00 0.00 177.57 178.32 1nvm h PHE 242 N -0.46 0.22 -0.44 1.57 3.57 -0.87 -1.72 116.94 118.81 1nvm h PHE 242 Ca -0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1nvm h PHE 242 Cb 0.70 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1nvm h PHE 242 CO 0.14 0.03 -0.08 0.82 -2.23 0.00 0.00 178.31 176.99 1nvm h ILE 243 N 0.28 1.25 -0.69 1.41 1.08 -1.11 0.84 117.51 120.57 1nvm h ILE 243 Ca 0.25 -1.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1nvm h ILE 243 Cb 0.31 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1nvm h ILE 243 CO -0.30 0.38 0.44 0.00 -0.69 0.00 0.00 178.15 177.98 1nvm h ALA 244 N 1.21 0.88 -0.08 1.87 0.00 -0.69 0.60 119.26 123.04 1nvm h ALA 244 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nvm h ALA 244 Cb 0.54 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nvm h ALA 244 CO 0.03 0.32 -0.01 0.28 0.00 0.00 0.00 179.25 179.87 1nvm h VAL 245 N 0.94 1.28 -0.75 0.00 2.07 -1.05 -1.59 116.25 117.15 1nvm h VAL 245 Ca 0.25 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1nvm h VAL 245 Cb -0.07 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1nvm h VAL 245 CO -0.05 0.25 0.37 0.00 0.02 0.00 0.00 177.57 178.16 1nvm h ALA 246 N 0.69 1.06 -0.57 1.67 0.00 -0.58 -0.12 119.26 121.42 1nvm h ALA 246 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nvm h ALA 246 Cb 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1nvm h ALA 246 CO 0.01 -0.06 0.32 1.49 0.00 0.00 0.00 179.25 181.01 1nvm h GLU 247 N 0.60 0.79 0.00 0.00 4.57 -0.70 -0.45 114.58 119.39 1nvm h GLU 247 Ca 0.38 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.40 1nvm h GLU 247 Cb 0.44 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1nvm h GLU 247 CO -0.30 0.59 -0.37 0.00 -1.18 0.00 0.00 179.01 177.76 1nvm h ARG 248 N 0.77 0.00 -0.00 1.92 2.47 -0.52 -1.83 114.38 117.19 1nvm h ARG 248 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1nvm h ARG 248 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1nvm h ARG 248 CO -0.03 0.37 -0.05 1.28 0.56 0.00 0.00 179.97 182.10 1nvm n LEU 249 N -4.09 0.09 0.00 3.04 4.77 -0.13 -4.91 117.00 115.77 1nvm n LEU 249 Ca -0.02 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1nvm n LEU 249 Cb 0.40 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1nvm n LEU 249 CO 0.39 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1nvm n GLY 250 N 1.39 0.52 3.78 -0.72 0.00 -0.69 -5.03 105.19 104.45 1nvm n GLY 250 Ca 0.11 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 3.21 -0.85 1.61 0.51 -0.24 -4.97 118.94 116.20 1nvm s TRP 251 Ca 0.00 1.62 -0.20 0.00 -2.12 0.00 0.00 56.10 55.40 1nvm s TRP 251 Cb 0.00 -3.20 0.10 0.00 -0.81 0.00 0.00 33.47 29.56 1nvm s TRP 251 CO 0.00 -0.82 1.11 1.21 -0.51 0.00 0.00 176.95 177.94 1nvm s ASN 252 N -1.46 6.46 -0.06 2.95 2.47 -1.26 -4.61 114.94 119.44 1nvm s ASN 252 Ca 0.58 -1.64 0.20 0.00 0.42 0.00 0.00 52.86 52.42 1nvm s ASN 252 Cb -0.24 -2.42 -0.30 0.00 -1.45 0.00 0.00 41.25 36.84 1nvm s ASN 252 CO 0.30 -1.23 0.36 0.00 -3.72 0.00 0.00 177.10 172.81 1nvm n HIS 253 N 7.17 0.00 -1.95 0.43 1.44 -1.26 -0.36 115.22 120.69 1nvm n HIS 253 Ca 0.16 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.67 1nvm n HIS 253 Cb 0.48 -0.57 -0.05 0.00 0.12 0.00 0.00 29.99 29.97 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 1.46 0.80 3.74 -1.39 0.00 -1.26 -4.71 105.19 103.84 1nvm n GLY 254 Ca -0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.85 2.21 -0.43 2.61 -4.23 -1.26 -4.77 115.64 106.93 1nvm s THR 255 Ca 0.00 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 1nvm s THR 255 Cb 0.00 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.97 1nvm s THR 255 CO 0.00 0.00 0.32 -0.62 -0.54 0.00 0.00 174.62 173.78 1nvm s ASP 256 N -3.92 6.03 0.13 3.99 -1.08 -0.45 -4.99 116.67 116.37 1nvm s ASP 256 Ca 0.39 -1.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.07 1nvm s ASP 256 Cb 0.04 -2.13 -0.04 0.00 -1.46 0.00 0.00 42.92 39.33 1nvm s ASP 256 CO 0.22 -0.53 1.69 0.25 0.52 0.00 0.00 175.17 177.32 1nvm h LEU 257 N 8.63 -0.28 -1.13 -1.34 5.85 -1.95 -2.67 115.31 122.42 1nvm h LEU 257 Ca -0.27 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1nvm h LEU 257 Cb 1.11 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1nvm h LEU 257 CO 0.78 -0.12 -0.02 1.88 -0.34 0.00 0.00 178.44 180.63 1nvm h TYR 258 N -0.08 0.62 -0.76 1.25 0.05 -1.99 -0.52 116.97 115.53 1nvm h TYR 258 Ca 0.08 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1nvm h TYR 258 Cb 0.21 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 1nvm h TYR 258 CO -0.22 0.61 0.48 1.15 -1.05 0.00 0.00 178.16 179.12 1nvm h THR 259 N 0.56 1.09 -0.28 -2.88 2.02 -1.91 -0.91 112.91 110.60 1nvm h THR 259 Ca 0.11 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1nvm h THR 259 Cb 0.38 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1nvm h THR 259 CO 0.02 0.17 -0.21 -0.07 0.37 0.00 0.00 175.52 175.80 1nvm h LEU 260 N 0.92 0.66 -0.82 2.58 3.38 -1.08 -0.94 115.31 120.01 1nvm h LEU 260 Ca 0.31 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1nvm h LEU 260 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1nvm h LEU 260 CO -0.12 0.96 0.44 0.24 0.09 0.00 0.00 178.44 180.06 1nvm h MET 261 N 0.36 1.15 -0.31 1.13 2.86 -0.85 -0.50 114.93 118.77 1nvm h MET 261 Ca 0.05 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1nvm h MET 261 Cb 0.75 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1nvm h MET 261 CO 0.05 0.86 -0.18 -0.44 1.06 0.00 0.00 176.91 178.26 1nvm h ASP 262 N 1.15 0.69 -0.74 1.22 3.32 -1.11 -3.02 116.42 117.93 1nvm h ASP 262 Ca 0.29 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1nvm h ASP 262 Cb 0.04 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1nvm h ASP 262 CO -0.05 0.96 0.32 0.00 -1.72 0.00 0.00 179.24 178.76 1nvm h ALA 263 N 0.75 1.14 -0.43 3.45 0.00 -0.84 0.36 119.26 123.69 1nvm h ALA 263 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1nvm h ALA 263 Cb 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1nvm h ALA 263 CO 0.05 0.63 0.25 0.00 0.00 0.00 0.00 179.25 180.18 1nvm h ALA 264 N 1.26 0.54 0.00 0.00 0.00 -1.05 -0.74 119.26 119.27 1nvm h ALA 264 Ca 0.26 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1nvm h ALA 264 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nvm h ALA 264 CO -0.02 -0.08 -1.60 -0.25 0.00 0.00 0.00 179.25 177.30 1nvm n ASP 265 N -4.85 0.60 -0.01 0.00 9.92 -1.06 -0.59 116.55 120.56 1nvm n ASP 265 Ca 0.02 0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 54.42 1nvm n ASP 265 Cb 0.07 0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 41.01 1nvm n ASP 265 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1nvm h ASP 266 N 0.00 0.12 0.00 -2.24 3.32 -0.98 -3.39 116.42 113.25 1nvm h ASP 266 Ca -0.17 -0.26 -0.29 0.00 0.02 0.00 0.00 57.03 56.33 1nvm h ASP 266 Cb 1.52 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.99 1nvm h ASP 266 CO 0.03 1.23 -1.95 -0.38 -1.72 0.00 0.00 179.24 176.45 1nvm n ILE 267 N -3.17 0.97 -0.04 0.35 5.41 -0.37 -4.77 119.36 117.74 1nvm n ILE 267 Ca -0.20 -0.23 -0.16 0.00 1.00 0.00 0.00 62.75 63.15 1nvm n ILE 267 Cb 1.05 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 38.10 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 -0.63 1.64 -0.92 1.39 2.07 -1.32 -3.36 116.25 115.13 1nvm h VAL 268 Ca -0.44 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 64.77 1nvm h VAL 268 Cb 1.37 3.25 -0.07 0.00 -1.52 0.00 0.00 31.29 34.33 1nvm h VAL 268 CO -0.26 0.62 0.57 -0.09 0.02 0.00 0.00 177.57 178.43 1nvm h ARG 269 N -0.81 0.98 0.00 1.57 2.43 -1.05 -0.69 114.38 116.81 1nvm h ARG 269 Ca -0.07 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1nvm h ARG 269 Cb 1.22 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1nvm h ARG 269 CO 0.03 0.65 -0.00 -1.35 -1.51 0.00 0.00 179.97 177.79 1nvm h PRO 270 N 1.01 0.00 0.00 0.20 0.11 -1.76 -1.69 132.00 129.88 1nvm h PRO 270 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1nvm h PRO 270 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1nvm h PRO 270 CO -0.20 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.88 1nvm n LEU 271 N -3.12 0.66 -4.73 2.35 4.77 -0.27 -4.84 117.00 111.82 1nvm n LEU 271 Ca -0.02 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 1nvm n LEU 271 Cb 0.13 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1nvm n LEU 271 CO 0.22 -0.18 1.10 -1.10 -1.33 0.00 0.00 177.39 176.10 1nvm s GLN 272 N -3.10 4.29 -0.01 3.23 -0.21 -0.64 -4.92 119.66 118.30 1nvm s GLN 272 Ca 0.11 2.24 0.12 0.00 0.02 0.00 0.00 55.36 57.85 1nvm s GLN 272 Cb 0.13 -3.15 -0.15 0.00 1.00 0.00 0.00 33.01 30.84 1nvm s GLN 272 CO 0.56 -0.43 0.40 -0.40 -2.12 0.00 0.00 175.29 173.31 1nvm n ASP 273 N 2.88 1.23 -3.82 5.90 5.75 -1.26 -4.86 116.55 122.38 1nvm n ASP 273 Ca 0.09 -0.46 -0.27 0.00 -0.01 0.00 0.00 54.79 54.13 1nvm n ASP 273 Cb 0.41 1.22 -0.17 0.00 -1.03 0.00 0.00 41.12 41.55 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 -2.40 1.04 0.27 0.11 3.00 -1.26 -5.10 118.95 114.60 1nvm s ARG 274 Ca 0.01 -0.38 -0.31 0.00 -1.00 0.00 0.00 55.73 54.05 1nvm s ARG 274 Cb 0.08 -1.85 -0.12 0.00 0.00 0.00 0.00 34.95 33.06 1nvm s ARG 274 CO 0.49 -0.48 1.53 -0.35 0.00 0.00 0.00 175.30 176.50 1nvm n PRO 275 N 4.98 2.45 -2.85 5.12 -0.04 -1.26 -4.90 135.00 138.50 1nvm n PRO 275 Ca -0.10 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 63.80 1nvm n PRO 275 Cb 0.48 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 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 0.04 4.39 0.24 0.52 1.01 -1.26 -4.95 120.40 120.40 1nvm s VAL 276 Ca 0.66 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1nvm s VAL 276 Cb -0.55 -4.75 0.01 0.00 0.00 0.00 0.00 36.38 31.09 1nvm s VAL 276 CO 0.48 -1.52 0.57 0.00 0.00 0.00 0.00 175.10 174.63 1nvm s ARG 277 N 3.78 1.59 -0.26 2.72 1.70 -1.26 -4.89 118.95 122.33 1nvm s ARG 277 Ca 0.27 -1.06 -0.27 0.00 -0.47 0.00 0.00 55.73 54.20 1nvm s ARG 277 Cb -0.12 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1nvm s ARG 277 CO 0.03 -0.69 0.97 0.08 -1.08 0.00 0.00 175.30 174.61 1nvm s VAL 278 N -3.95 4.70 0.00 4.99 1.01 -1.26 -4.35 120.40 121.54 1nvm s VAL 278 Ca 0.15 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1nvm s VAL 278 Cb -0.03 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1nvm s VAL 278 CO 0.05 -0.21 0.00 -0.90 0.00 0.00 0.00 175.10 174.04 1nvm n ASP 279 N 6.33 0.00 -0.22 3.32 5.68 -1.26 -4.92 116.55 125.48 1nvm n ASP 279 Ca 0.10 -0.90 0.01 0.00 -0.50 0.00 0.00 54.79 53.49 1nvm n ASP 279 Cb 0.47 0.00 0.12 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 0.44 0.01 0.11 2.43 -1.98 0.16 114.38 115.55 1nvm h ARG 280 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nvm h ARG 280 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1nvm h ARG 280 CO 0.00 0.29 -0.00 0.93 -1.51 0.00 0.00 179.97 179.68 1nvm h GLU 281 N 0.45 -0.01 -0.01 0.20 3.07 -1.96 -1.93 114.58 114.40 1nvm h GLU 281 Ca 0.33 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.05 1nvm h GLU 281 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1nvm h GLU 281 CO -0.31 0.46 -0.63 1.79 -1.40 0.00 0.00 179.01 178.92 1nvm h THR 282 N -0.48 1.45 -0.46 1.13 1.35 -1.80 -2.40 112.91 111.70 1nvm h THR 282 Ca -0.00 -2.15 -0.04 0.00 -0.55 0.00 0.00 66.41 63.67 1nvm h THR 282 Cb 0.47 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 1nvm h THR 282 CO 0.00 0.62 0.12 0.25 -0.25 0.00 0.00 175.52 176.26 1nvm h LEU 283 N 0.03 0.64 -1.47 3.87 5.85 -0.72 -2.02 115.31 121.48 1nvm h LEU 283 Ca -0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1nvm h LEU 283 Cb 1.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1nvm h LEU 283 CO 0.08 0.62 0.17 1.23 -0.34 0.00 0.00 178.44 180.21 1nvm h GLY 284 N 0.87 0.56 0.91 3.75 0.00 -0.86 -0.25 103.07 108.06 1nvm h GLY 284 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1nvm h GLY 284 CO -0.01 0.24 0.10 1.41 0.00 0.00 0.00 176.54 178.28 1nvm h LEU 285 N 0.53 0.29 -0.65 3.11 3.38 -1.00 -1.87 115.31 119.09 1nvm h LEU 285 Ca 0.13 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1nvm h LEU 285 Cb 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1nvm h LEU 285 CO -0.02 0.35 -0.10 1.23 0.09 0.00 0.00 178.44 179.99 1nvm h GLY 286 N 0.21 1.03 0.92 0.83 0.00 -1.21 0.23 103.07 105.09 1nvm h GLY 286 Ca 0.07 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1nvm h GLY 286 CO -0.01 0.74 -0.09 -1.82 0.00 0.00 0.00 176.54 175.36 1nvm h TYR 287 N 0.85 0.72 0.00 5.60 5.03 -0.95 -3.07 116.97 125.15 1nvm h TYR 287 Ca 0.14 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1nvm h TYR 287 Cb 0.64 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1nvm h TYR 287 CO 0.04 0.82 -0.15 0.00 -1.32 0.00 0.00 178.16 177.55 1nvm h ALA 288 N 0.80 0.92 -3.31 1.82 0.00 -1.34 -3.48 119.26 114.67 1nvm h ALA 288 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1nvm h ALA 288 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.44 1nvm h ALA 288 CO 0.03 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.41 1nvm n GLY 289 N 1.19 0.17 3.71 0.00 0.00 0.68 -4.74 105.19 106.20 1nvm n GLY 289 Ca 0.04 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.13 4.97 -0.42 1.61 1.01 -0.36 -4.78 120.40 119.30 1nvm s VAL 290 Ca 0.03 0.02 -0.44 0.00 0.00 0.00 0.00 61.98 61.59 1nvm s VAL 290 Cb -0.01 -3.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.98 1nvm s VAL 290 CO 0.28 0.51 1.75 0.00 0.00 0.00 0.00 175.10 177.64 1nvm n TYR 291 N 3.00 1.78 0.24 5.22 9.36 -1.26 -4.26 117.16 131.24 1nvm n TYR 291 Ca -0.17 0.85 0.07 0.00 3.32 0.00 0.00 57.90 61.96 1nvm n TYR 291 Cb 0.53 -2.33 0.58 0.00 -0.63 0.00 0.00 39.34 37.49 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 6.66 0.00 0.19 2.98 0.02 -1.54 -2.17 113.55 119.70 1nvm h SER 292 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nvm h SER 292 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1nvm h SER 292 CO 0.99 0.13 0.00 0.77 -1.14 0.00 0.00 176.83 177.58 1nvm h SER 293 N 0.00 0.00 0.33 3.07 4.64 -1.88 -1.88 113.55 117.84 1nvm h SER 293 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nvm h SER 293 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1nvm h SER 293 CO 0.02 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.72 1nvm h PHE 294 N 0.00 0.00 -0.08 4.77 -1.00 -1.75 -3.37 116.94 115.51 1nvm h PHE 294 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1nvm h PHE 294 Cb 0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1nvm h PHE 294 CO 0.00 0.00 -0.20 1.25 -1.61 0.00 0.00 178.31 177.75 1nvm h LEU 295 N 0.00 -0.64 -1.22 1.54 5.85 -1.57 0.26 115.31 119.53 1nvm h LEU 295 Ca 0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1nvm h LEU 295 Cb 0.17 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1nvm h LEU 295 CO 0.00 -0.17 0.08 0.03 -0.34 0.00 0.00 178.44 178.04 1nvm h ARG 296 N -0.19 0.61 -0.37 1.25 2.47 -1.85 0.13 114.38 116.43 1nvm h ARG 296 Ca 0.02 -0.11 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 1nvm h ARG 296 Cb 0.24 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1nvm h ARG 296 CO -0.17 0.58 -0.17 0.45 0.56 0.00 0.00 179.97 181.21 1nvm h HIS 297 N 0.59 0.75 -0.04 3.04 3.86 -1.69 -0.56 115.15 121.09 1nvm h HIS 297 Ca 0.13 -0.15 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1nvm h HIS 297 Cb 0.26 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1nvm h HIS 297 CO 0.01 0.80 -0.65 0.00 0.86 0.00 0.00 177.93 178.96 1nvm h ALA 298 N 1.21 0.83 -0.21 2.45 0.00 0.15 -1.63 119.26 122.06 1nvm h ALA 298 Ca 0.10 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1nvm h ALA 298 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nvm h ALA 298 CO 0.04 0.77 -0.37 0.93 0.00 0.00 0.00 179.25 180.62 1nvm h GLU 299 N 0.13 0.47 -0.45 0.00 5.08 -0.53 0.68 114.58 119.95 1nvm h GLU 299 Ca -0.01 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1nvm h GLU 299 Cb 1.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1nvm h GLU 299 CO 0.10 0.77 -0.22 0.82 -1.00 0.00 0.00 179.01 179.48 1nvm h ILE 300 N 0.39 1.27 -0.32 3.13 2.04 -0.93 -1.86 117.51 121.24 1nvm h ILE 300 Ca 0.04 -1.37 -0.15 0.00 1.00 0.00 0.00 64.86 64.38 1nvm h ILE 300 Cb 0.83 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1nvm h ILE 300 CO 0.07 0.47 -0.40 0.00 0.00 0.00 0.00 178.15 178.28 1nvm h ALA 301 N 0.95 0.48 -0.42 1.87 0.00 -0.93 -0.92 119.26 120.28 1nvm h ALA 301 Ca 0.11 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1nvm h ALA 301 Cb 0.77 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1nvm h ALA 301 CO 0.06 0.59 0.16 0.00 0.00 0.00 0.00 179.25 180.06 1nvm h ALA 302 N 0.71 0.51 -0.26 0.00 0.00 -0.75 -0.31 119.26 119.17 1nvm h ALA 302 Ca 0.04 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1nvm h ALA 302 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1nvm h ALA 302 CO 0.10 -0.23 -0.40 0.00 0.00 0.00 0.00 179.25 178.72 1nvm h ALA 303 N 1.27 0.82 -0.33 0.00 0.00 -1.22 -1.16 119.26 118.63 1nvm h ALA 303 Ca 0.19 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1nvm h ALA 303 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nvm h ALA 303 CO -0.19 0.65 -0.22 -0.22 0.00 0.00 0.00 179.25 179.27 1nvm h LYS 304 N 0.50 0.73 -0.10 0.00 3.64 -0.67 -3.30 116.57 117.36 1nvm h LYS 304 Ca 0.04 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1nvm h LYS 304 Cb 0.91 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1nvm h LYS 304 CO 0.08 0.96 0.00 0.66 -2.27 0.00 0.00 179.45 178.88 1nvm n TYR 305 N -4.29 0.10 -3.02 1.91 4.01 -0.17 -4.99 117.16 110.71 1nvm n TYR 305 Ca -0.03 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1nvm n TYR 305 Cb 0.43 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.31 -3.99 -4.42 7.72 5.15 -0.69 -5.00 115.26 115.34 1nvm n ASN 306 Ca 0.15 -0.54 -0.22 0.00 -0.60 0.00 0.00 54.58 53.37 1nvm n ASN 306 Cb 0.59 -4.25 -0.10 0.00 -0.53 0.00 0.00 39.78 35.48 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 -5.19 2.16 -0.12 1.20 1.43 -0.53 -5.05 118.68 112.59 1nvm s LEU 307 Ca 0.20 -1.42 -0.22 0.00 -1.03 0.00 0.00 54.13 51.65 1nvm s LEU 307 Cb -0.03 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1nvm s LEU 307 CO 0.59 -0.66 0.67 -0.54 0.23 0.00 0.00 176.35 176.64 1nvm s LYS 308 N -3.87 4.35 0.28 1.70 1.02 -1.26 -4.55 119.74 117.41 1nvm s LYS 308 Ca 0.34 0.78 0.02 0.00 0.02 0.00 0.00 55.97 57.13 1nvm s LYS 308 Cb 0.08 -3.49 0.63 0.00 -0.52 0.00 0.00 37.83 34.53 1nvm s LYS 308 CO 0.15 -0.05 1.75 1.15 -0.92 0.00 0.00 175.35 177.43 1nvm h THR 309 N 4.91 0.67 -0.48 2.17 2.02 -1.91 -1.65 112.91 118.64 1nvm h THR 309 Ca -0.37 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1nvm h THR 309 Cb 1.17 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1nvm h THR 309 CO 0.77 0.11 0.24 0.25 0.37 0.00 0.00 175.52 177.27 1nvm h LEU 310 N 0.62 0.60 -0.72 2.58 5.85 -1.93 -1.02 115.31 121.28 1nvm h LEU 310 Ca 0.52 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 59.10 1nvm h LEU 310 Cb 0.81 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1nvm h LEU 310 CO -0.40 0.50 -0.04 0.44 -0.34 0.00 0.00 178.44 178.60 1nvm h ASP 311 N 0.67 0.93 -0.35 1.25 3.32 -1.72 0.06 116.42 120.58 1nvm h ASP 311 Ca 0.17 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1nvm h ASP 311 Cb 0.05 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1nvm h ASP 311 CO -0.03 1.01 0.14 0.40 -1.72 0.00 0.00 179.24 179.04 1nvm h ILE 312 N 0.86 1.19 -0.45 0.35 2.04 -1.01 -2.32 117.51 118.18 1nvm h ILE 312 Ca 0.15 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1nvm h ILE 312 Cb 0.56 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nvm h ILE 312 CO 0.03 0.20 0.08 -0.07 0.00 0.00 0.00 178.15 178.40 1nvm h LEU 313 N 0.42 0.70 -0.37 1.44 3.38 -0.92 -1.48 115.31 118.47 1nvm h LEU 313 Ca 0.12 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1nvm h LEU 313 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nvm h LEU 313 CO -0.01 0.77 0.17 0.58 0.09 0.00 0.00 178.44 180.04 1nvm h VAL 314 N 0.60 0.95 -0.86 1.22 2.07 -0.90 -0.60 116.25 118.73 1nvm h VAL 314 Ca 0.14 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1nvm h VAL 314 Cb 0.37 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1nvm h VAL 314 CO 0.01 0.06 0.47 -0.08 0.02 0.00 0.00 177.57 178.05 1nvm h GLU 315 N 0.35 1.20 -0.98 1.57 4.57 -1.28 -1.85 114.58 118.15 1nvm h GLU 315 Ca 0.16 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1nvm h GLU 315 Cb 0.10 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 1nvm h GLU 315 CO -0.13 0.88 0.63 -0.07 -1.18 0.00 0.00 179.01 179.13 1nvm h LEU 316 N 1.20 1.15 -0.40 1.64 3.38 -0.87 -0.37 115.31 121.04 1nvm h LEU 316 Ca 0.30 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1nvm h LEU 316 Cb 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1nvm h LEU 316 CO -0.05 0.85 0.21 1.23 0.09 0.00 0.00 178.44 180.77 1nvm h GLY 317 N 1.34 0.55 1.65 0.83 0.00 -0.46 -2.06 103.07 104.92 1nvm h GLY 317 Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1nvm h GLY 317 CO -0.07 0.11 0.16 0.45 0.00 0.00 0.00 176.54 177.19 1nvm h HIS 318 N 0.42 0.45 0.00 5.60 3.86 -0.67 -2.24 115.15 122.57 1nvm h HIS 318 Ca 0.17 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1nvm h HIS 318 Cb 0.07 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1nvm h HIS 318 CO -0.10 0.34 0.00 0.54 0.86 0.00 0.00 177.93 179.57 1nvm n ARG 319 N -4.43 0.19 -3.51 2.45 1.74 -0.21 -4.93 116.66 107.95 1nvm n ARG 319 Ca 0.02 0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.93 1nvm n ARG 319 Cb 0.11 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.39 -2.88 -2.62 5.56 5.12 -0.84 -4.98 116.66 114.62 1nvm n ARG 320 Ca 0.09 0.67 -0.29 0.00 -1.93 0.00 0.00 57.85 56.39 1nvm n ARG 320 Cb 0.25 -5.12 -0.01 0.00 -1.16 0.00 0.00 32.46 26.42 1nvm n ARG 320 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1nvm s MET 321 N -5.37 3.67 0.53 5.56 -1.94 -1.24 -5.09 119.30 115.43 1nvm s MET 321 Ca 0.32 0.43 0.04 0.00 -1.71 0.00 0.00 55.69 54.77 1nvm s MET 321 Cb -0.08 -2.33 0.02 0.00 2.01 0.00 0.00 34.83 34.45 1nvm s MET 321 CO 0.80 -0.18 0.26 0.14 -0.01 0.00 0.00 175.02 176.03 1nvm s VAL 322 N -2.63 1.47 0.40 -6.03 -7.23 -1.26 -4.74 120.40 100.38 1nvm s VAL 322 Ca 0.51 -1.67 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 1nvm s VAL 322 Cb -0.10 -2.14 -0.11 0.00 0.56 0.00 0.00 36.38 34.59 1nvm s VAL 322 CO 0.39 0.00 1.21 0.61 -0.31 0.00 0.00 175.10 177.01 1nvm n GLY 323 N -1.59 0.38 1.73 2.32 0.00 -1.26 -2.46 105.19 104.31 1nvm n GLY 323 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.89 2.11 1.86 -0.02 0.00 -1.26 -4.94 105.19 103.83 1nvm n GLY 324 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1nvm n GLY 324 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nvm n GLN 325 N -2.00 1.71 0.25 1.61 6.02 -1.03 -4.60 117.38 119.35 1nvm n GLN 325 Ca 0.00 -1.36 0.08 0.00 -0.01 0.00 0.00 57.00 55.71 1nvm n GLN 325 Cb 0.00 -1.55 0.62 0.00 1.02 0.00 0.00 30.24 30.33 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 1.48 0.00 0.00 -1.09 3.07 -1.86 -0.13 114.58 116.04 1nvm h GLU 326 Ca 0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1nvm h GLU 326 Cb 0.92 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1nvm h GLU 326 CO 0.65 0.08 -0.04 0.38 -1.40 0.00 0.00 179.01 178.68 1nvm h ASP 327 N 0.00 0.00 0.95 1.42 2.03 -1.84 -0.98 116.42 118.00 1nvm h ASP 327 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nvm h ASP 327 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1nvm h ASP 327 CO 0.01 0.04 0.00 0.23 -1.03 0.00 0.00 179.24 178.49 1nvm n MET 328 N -3.52 0.16 -0.07 4.15 2.81 -0.06 -3.08 117.12 117.51 1nvm n MET 328 Ca -0.02 0.28 -0.11 0.00 -1.81 0.00 0.00 57.70 56.04 1nvm n MET 328 Cb 0.14 -1.75 -0.05 0.00 -0.71 0.00 0.00 33.22 30.85 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 1.24 -0.46 2.02 2.04 -1.30 0.20 117.51 121.24 1nvm h ILE 329 Ca 0.00 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1nvm h ILE 329 Cb 0.48 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1nvm h ILE 329 CO 0.00 0.25 -0.08 0.58 0.00 0.00 0.00 178.15 178.90 1nvm h VAL 330 N 0.15 1.26 -0.04 1.67 2.07 -1.68 -0.82 116.25 118.86 1nvm h VAL 330 Ca 0.06 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1nvm h VAL 330 Cb 0.35 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1nvm h VAL 330 CO 0.01 0.40 -0.13 -0.78 0.02 0.00 0.00 177.57 177.08 1nvm h ASP 331 N 0.75 -0.38 -0.61 0.57 3.58 -1.44 -0.07 116.42 118.82 1nvm h ASP 331 Ca 0.13 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.68 1nvm h ASP 331 Cb 0.57 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 1nvm h ASP 331 CO 0.03 -0.18 0.35 0.58 -2.88 0.00 0.00 179.24 177.15 1nvm h VAL 332 N -0.20 1.02 -0.27 2.25 2.07 -0.79 -1.22 116.25 119.11 1nvm h VAL 332 Ca 0.06 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1nvm h VAL 332 Cb 0.28 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1nvm h VAL 332 CO -0.15 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.73 1nvm h ALA 333 N 1.29 0.34 -0.86 1.67 0.00 -0.72 0.18 119.26 121.16 1nvm h ALA 333 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nvm h ALA 333 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nvm h ALA 333 CO -0.14 -0.20 0.51 -0.07 0.00 0.00 0.00 179.25 179.35 1nvm h LEU 334 N 0.36 1.05 -0.83 0.00 3.38 -0.88 -1.35 115.31 117.04 1nvm h LEU 334 Ca 0.10 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1nvm h LEU 334 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1nvm h LEU 334 CO -0.03 0.82 -0.25 0.44 0.09 0.00 0.00 178.44 179.51 1nvm h ASP 335 N 1.19 0.59 -0.48 -0.43 3.32 -0.78 -1.67 116.42 118.16 1nvm h ASP 335 Ca 0.31 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1nvm h ASP 335 Cb -0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1nvm h ASP 335 CO -0.06 0.83 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.11 1nvm h LEU 336 N 0.51 0.94 -0.52 1.55 3.38 -0.05 -0.27 115.31 120.86 1nvm h LEU 336 Ca 0.07 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1nvm h LEU 336 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1nvm h LEU 336 CO 0.05 1.08 0.33 -0.07 0.09 0.00 0.00 178.44 179.92 1nvm h LEU 337 N 0.79 0.62 -0.69 1.67 3.38 -1.07 -0.91 115.31 119.09 1nvm h LEU 337 Ca 0.12 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1nvm h LEU 337 Cb 0.67 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1nvm h LEU 337 CO 0.05 0.48 0.23 0.00 0.09 0.00 0.00 178.44 179.28 1nvm h ALA 338 N 1.17 0.91 -0.51 1.53 0.00 -1.09 -2.26 119.26 119.00 1nvm h ALA 338 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nvm h ALA 338 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1nvm h ALA 338 CO -0.04 0.57 0.27 0.00 0.00 0.00 0.00 179.25 180.05 1nvm h ALA 339 N 1.10 0.66 -0.13 0.00 0.00 -0.73 -2.62 119.26 117.55 1nvm h ALA 339 Ca 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1nvm h ALA 339 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nvm h ALA 339 CO -0.01 0.20 -0.22 0.45 0.00 0.00 0.00 179.25 179.67 1nvm h HIS 340 N 0.68 0.24 0.00 0.00 -0.00 -1.01 -3.51 115.15 111.55 1nvm h HIS 340 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1nvm h HIS 340 Cb 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1nvm h HIS 340 CO -0.01 0.44 0.00 1.63 -0.00 0.00 0.00 177.93 179.99